CID	#uniq	#ind	#adr	app?	name
1181	1	50	0	False	lithium_cation
1190	1	0	0	True	aluminium
1367	1	0	6	True	attapulgite
1769	1	0	0	False	iron_azide_hydrate
3730	1	0	0	False	hexatantalum_dodecabromide
5101	1	4	2	True	ammonium_chloride
7305	1	1	0	True	chromic_chloride
7329	1	0	1	True	helium
7437	1	11	28	True	activated_charcoal
7451	1	0	0	True	iodide_i-131
7465	1	0	0	True	xenon-133
7472	1	2	102	True	sodium_fluoride
7473	1	0	0	True	ammonia_n-13
7506	1	0	0	True	fluoride_ion_f-18
7510	1	7	244	True	magnesium_chloride
7516	1	0	0	True	iodide_i-123
7519	1	0	0	True	krypton_kr_81m
7527	1	0	0	True	rubidium_rb-82
7538	1	0	0	True	strontium_chloride_sr-89
7558	1	4	0	True	stannous_chloride
7582	1	7	26	True	sodium_iodide
7588	1	0	0	True	ammonium_molybdate
7591	1	0	0	True	cupric_oxide
7592	1	27	25	True	selenium
7593	1	19	5	True	chromium
7595	1	0	0	True	chromium_cr-51
7630	1	8	0	False	boron
7651	1	0	0	True	fluoride_ion
7692	1	0	0	True	aluminum_oxide
7843	1	6	16	True	carbon_monoxide
7844	1	0	0	True	neon
7889	1	0	6	False	indium
8105	1	0	2	False	indium_in-111
8793	1	0	0	True	iodide
8838	1	0	0	False	radium_ra-223
8870	1	0	0	False	tantalum
8871	1	0	0	False	actinium
8909	1	0	21	False	samarium_sm-153
8936	1	0	0	False	helium_he-3
8973	1	0	0	True	silicon
8983	1	0	0	False	berkelium
9017	1	0	0	False	niobium
9029	1	0	0	False	pentavalent_antimony
9055	1	0	0	True	yttrium_y-90
9086	1	7	0	False	antimony
9104	1	0	0	False	fluorine_f-18
9186	1	0	0	True	magnesium_silicate
9270	1	0	0	False	mercuric_amidochloride
9345	1	0	0	False	gold_au-198
9387	1	0	0	False	antimony_pentasulfide
9472	1	0	0	False	ferrous_chloride
9733	1	0	0	False	rhenium_re-186_sulfide
9812	1	5	0	True	vanadium
9817	1	0	0	True	lutetium_lu-177
9821	1	0	1	True	strontium_chloride
9941	1	0	10	True	phosphorus
9974	1	0	0	False	nickel_cation
9988	1	0	0	False	technetium_tc-99m
10019	1	0	0	True	lithium_hydroxide
10032	1	0	0	False	aluminum_cation
10034	1	0	0	False	silver_cation
10037	1	0	0	False	gallium_cation
10038	1	0	0	False	chromic_cation
10046	1	7	0	True	zinc_chloride
10047	1	0	0	False	gold_cation_(1+)
10048	1	0	0	False	indium_cation_in-111
10049	1	0	0	False	strontium_cation_sr-89
10060	1	0	0	False	chloride_ion
10061	1	0	0	False	gallium_cation_ga-67
10062	1	0	0	True	gallium_chloride_ga-67
10064	1	0	0	False	cupric_cation
10073	1	0	0	False	radium_ra-223_cation
10074	1	0	0	False	bismuth_cation
10078	1	0	0	False	thallous_cation_tl-201
10080	1	0	0	False	gadolinium_cation_(3+)
10081	1	0	0	False	lanthanum_iii_cation
10213	1	0	0	False	iodine_i-125
10341	1	0	0	False	palladium_pd-103
10524	1	0	0	False	neodymium
10554	1	0	0	False	thallium_tl-201
10560	1	0	0	False	cobalt_co-60
10920	1	0	0	False	bromide
11073	1	0	0	False	fluoride
11895	1	0	0	False	ammonium
11949	1	0	0	False	radioiodide_123
641	2	4	98	True	potassium_chloride
1031	2	10	107	True	calcium_chloride
1171	2	0	42	True	potassium_cation
1191	2	31	120	True	calcium
1193	2	1	87	True	magnesium_oxide
1194	2	0	0	True	magnesium_cation
1384	2	48	28	True	zinc
1914	2	0	0	False	zinc_trihydroxide
4000	2	0	0	False	heptamolybdate
4818	2	0	67	True	ferumoxytol
5059	2	2	14	True	potassium_iodide
5064	2	1	62	True	aluminum_hydroxide
5096	2	4	1	True	manganese
7290	2	0	97	True	magnesium_hydroxide
7306	2	25	101	True	copper
7327	2	13	100	True	sodium_chloride
7594	2	0	0	True	molybdenum
7601	2	0	0	True	sodium_hydroxide
7602	2	0	0	True	potassium_hydroxide
7607	2	0	9	True	sodium_sulfide
7696	2	0	0	True	rubidium
8252	2	0	91	True	gadolinium
8506	2	0	0	False	samarium
8574	2	0	0	False	barium
8957	2	4	0	True	silver
9342	2	0	0	False	ferric_hydroxide
9367	2	1	0	False	xenon
9795	2	0	0	True	ferric_cation
9897	2	0	0	False	cadmium
9943	2	4	0	False	gold
9946	2	0	0	False	titanium
9975	2	0	0	False	cobaltous_cation
9976	2	18	0	True	cobalt_chloride
10015	2	21	0	True	potassium
10023	2	0	0	False	ferrous_cation
10029	2	0	0	False	sodium_cation
10035	2	0	0	False	hydroxide_ion
10045	2	0	0	False	zinc_cation
10076	2	2	2	True	cobalt
10079	2	0	0	False	calcium_cation
10152	2	0	0	True	ferric_oxyhydroxide
10570	2	0	0	False	cesium
11917	2	0	0	False	hydrogen_selenide
12459	2	0	0	False	ferrous_cation_(fe2+)
8389	3	4	0	False	platinum
10026	3	29	45	True	magnesium
1383	4	6	79	True	iron
9290	5	1	0	False	hydrochloric_acid
7561	7	0	0	True	hydrogen_fluoride
10063	17	0	0	False	phosphorus_p-32
11940	22	0	0	False	ammonia
11122	29	0	0	False	methane
2826	31	0	0	False	mu4-sulfido-quadro-tetracopper
3018	32	0	0	False	cobalt_hexammine_ion
4524	45	12	0	False	tetrathiomolybdate
7320	48	2	46	True	water
7464	48	0	0	True	technetium_tc-99m_pertechnetate
7831	48	0	0	True	aluminum_chlorohydrate
11968	48	0	0	False	water
7295	51	0	0	True	calcium_carbimide
7326	57	0	27	True	nitrogen
844	59	0	12	True	selenium_sulfide
4027	59	0	0	False	mercuric_iodide
10007	59	0	0	False	potassium_triiodide
12344	59	0	0	False	cyanide
4587	60	7	18	True	iodine
7490	66	0	0	True	octasulfur
7505	66	0	0	True	technetium_tc-99m_sulfur_colloid
2645	68	0	0	False	pentasulfide-sulfur
7466	68	0	0	True	thallous_chloride
10639	68	0	0	False	cuprous_chloride
5035	73	7	47	True	nitrous_oxide
3934	75	0	0	False	methyl_isocyanide
7469	78	6	16	True	zinc_oxide
11920	78	0	0	False	methyl-selenol
2814	79	0	0	False	perchlorate
4589	79	0	0	True	tetrachlorodecaoxide
7514	79	1	11	True	potassium_perchlorate
9148	79	0	0	False	sodium_chlorite
9495	80	0	0	True	almasilate
7693	82	0	0	True	silanol
9398	82	0	0	False	magnesium_peroxide
9699	84	0	4	True	iodoform
7584	86	0	2	True	hypochlorite
324	87	32	31	True	nitric_oxide
11938	87	0	0	False	nitric_oxide
1368	88	0	13	True	kaolin
12345	90	0	0	False	nitroxyl
9862	91	0	0	True	sodium_zirconium_cyclosilicate
3469	94	10	2	True	formaldehyde
11099	94	0	0	False	formaldehyde
2737	95	0	0	False	bromoform
7570	95	0	15	True	stannous_fluoride
7133	96	1	19	True	radium_ra_223_dichloride
7307	96	4	0	True	cupric_chloride
7578	96	0	0	False	chlorine
9653	96	3	0	False	mercuric_chloride
10018	96	0	0	True	sodium_borate
10065	96	0	0	False	borate_ion
5114	98	0	0	True	prussian_blue
10622	100	0	0	True	zirconium_chloride_hydroxide
3954	101	0	0	False	methyldiazene
9940	102	0	0	True	chloric_acid
8595	103	3	0	False	ozone
3669	104	0	0	False	hypophosphite
10115	104	0	0	False	sulfur_chloride
9931	107	0	0	False	hypochlorous_acid
8611	108	0	0	True	nitrite
11185	108	0	0	False	hydrazine
7534	109	0	0	True	indium_in-111_chloride
7565	109	1	12	True	aluminum_chloride
10640	109	0	0	False	ferric_chloride
7549	111	1	1	True	titanium_dioxide
7590	111	0	0	True	silicon_dioxide
9551	111	0	0	False	montmorillonite
9934	111	1	0	False	silicic_acid
9918	113	0	0	True	silodrate
10113	113	0	0	False	nitrogen_trichloride
11924	113	0	0	False	disodium_selenite
2393	114	0	0	False	2_8-bis[oxido(oxo)vanadio]-1_1_1_3_5_5_7_7_9_9_9-undecaoxopentavanadoxane-2_8-diium
7316	114	22	116	True	oxygen
11104	114	0	0	False	methanol
1601	115	1	0	False	methylamine
11921	115	0	0	False	dimethyl_selenide
7569	117	2	21	True	hydrogen_peroxide
11926	120	0	0	False	methyl_selenic_acid
2997	121	0	0	False	dioxo(sulfanyl)molybdenum
7331	121	2	3	True	carbon_dioxide
10784	121	0	0	False	carbon_dioxide
4026	124	0	0	False	tetrafluoroaluminate_ion
218	127	29	35	True	nitroprusside
1899	127	0	0	False	cyclo-tetrametavanadate
7292	127	0	0	True	nitrous_acid
7716	129	2	0	True	chloroform
2391	130	0	0	False	cyanamide
7544	130	0	0	True	urea_c-14
7576	130	0	0	True	sulfur_hexafluoride
1036	131	73	57	True	arsenic_trioxide
2522	131	0	0	False	methylphosphinate
7834	132	3	0	False	ferric_oxide
8802	132	0	0	False	methyl_isocyanate
9842	132	1	1	True	sodium_bisulfite
10154	132	0	0	True	sodium_metavanadate
1727	135	0	0	False	2-thioethenamine
11994	135	0	0	False	2-chloro-1_1-difluoroethene
9249	136	0	0	True	trichloroethylene
11119	137	0	0	False	dimethyl_sulfide
7500	139	0	0	True	sodium_chromate_cr-51
10011	139	0	0	True	sodium_molybdate
10050	139	0	0	False	chromate_ion_cr-51
2180	143	0	0	False	antimonous_acid
7440	143	0	12	True	magnesium_trisilicate
9173	143	0	0	True	perboric_acid
4075	144	0	0	False	dihydroxy(oxo)molybdenum(6+)
7587	144	0	0	True	selenious_acid
12343	144	0	0	False	n-hydroxycynamide
3062	145	0	0	False	ethyl_isocyanide
7644	145	0	0	True	cyclomethicone_5
11081	146	0	0	False	trimethylamine_n-oxide
11922	146	0	0	False	trimethylselenonium
4038	147	0	0	False	arsenous_acid
3366	148	0	0	False	ethylene_dichloride
9715	148	0	0	False	calcium_silicate
9717	148	0	3	False	potassium_permanganate
2541	149	0	0	False	methylphosphinic_acid
9585	149	0	0	False	vinyl_ether
7697	152	0	4	True	calcium_phosphate
9747	152	0	0	False	magnesium_phosphate
9954	152	0	0	True	dichromate
10030	152	0	0	True	aluminium_phosphate
10036	152	0	0	False	phosphate_ion
10075	152	0	0	False	phosphate_ion_p-32
10090	152	0	0	False	sodium_phosphate_tribasic_dodecahydrate
11100	152	0	0	False	phosphate
4563	153	3	4	True	gallium_nitrate
7568	153	0	8	True	potassium_nitrate
9147	153	0	0	True	bismuth_subnitrate
9863	153	0	0	False	nitrate
10040	153	0	0	True	chromic_nitrate
11939	153	0	0	False	nitrate
961	154	16	7	True	dimethyl_sulfoxide
7683	154	11	0	True	boric_acid
8690	154	0	0	False	methyl-d9-choline
2365	156	0	0	False	trichloroacetaldehyde
2082	157	0	0	False	monofluorophosphate_ion
7531	157	0	0	True	sodium_fluorophosphate
320	161	4	11	True	lindane
5065	163	15	93	True	calcium_carbonate
5122	163	0	95	True	lanthanum_carbonate
7522	163	1	4	True	sodium_carbonate
7529	163	0	7	True	magnesium_carbonate
7666	163	0	0	True	bismuth_subcarbonate
9196	163	1	2	True	ethyl_chloride
9248	163	2	0	True	hydrotalcite
9593	163	0	0	False	ferrous_carbonate
9814	163	0	0	True	potassium_carbonate
10009	163	0	0	False	zinc_carbonate
10012	163	0	0	False	calcium_magnesium_potassium_carbonate_chloride_hydroxide
10022	163	34	178	True	lithium_carbonate
10044	163	0	0	False	carbonate_ion
12517	163	0	0	False	carbonate
8570	165	0	0	False	perfluoro_tert-butylcyclohexane
4873	166	1	0	False	methoxyamine
13127	166	0	0	False	methylarsonic_acid
13128	166	0	0	False	monomethylarsonic_acid
1861	167	0	0	False	2-aminoethanimidic_acid
7559	167	2	0	True	selenic_acid
7564	168	0	1	True	silver_nitrate
2683	169	0	0	False	cacodylic_acid
2775	169	0	0	False	tetramethylammonium_ion
4697	169	0	0	False	perflubron
11618	169	0	0	False	acrolein
13129	169	0	0	False	dimethylarsinic_acid
13126	170	0	0	False	arsenic_acid
3824	171	0	0	False	trivanadate
9969	171	0	0	True	bromothalonil
1702	175	0	0	False	formic_acid
11058	175	0	0	False	formic_acid
3153	178	0	0	False	mercaptomethyl_phosphonate
8843	178	0	0	True	perflubutane
2361	179	0	0	False	nitrosoethane
11919	179	0	0	False	selenophosphate
3962	180	0	0	False	1_3_2-dioxaborolan-2-ol
10919	180	0	0	False	acetaldehyde
7539	183	0	0	True	thiosulfuric_acid
9633	183	0	0	True	sodium_aurotiosulfate
12483	183	0	0	False	bromonitromethane
537	184	36	104	True	magnesium_sulfate
5110	184	8	1	True	cupric_sulfate
7149	184	0	10	True	magaldrate
7276	184	0	0	True	potassium_alum
7470	184	9	0	True	zinc_sulfate
7524	184	0	13	True	sodium_sulfate
7600	184	0	14	True	barium_sulfate
7611	184	1	0	True	ferric_sulfate
7643	184	0	3	True	aluminum_sulfate
9194	184	0	108	True	ferrous_sulfate_anhydrous
9953	184	0	0	True	nickel_sulfate
10014	184	0	0	True	potassium_sulfate
10043	184	0	0	True	chromous_sulfate
10059	184	0	0	False	sulfate_ion
10637	184	0	0	False	calcium_sulfate
12413	184	0	0	False	sulfate
440	188	0	24	True	perflutren
1483	188	0	0	False	1_2-dichloro-propane
7864	188	0	0	False	perflenapent
11995	188	0	0	False	1-chloro-2_2_2-trifluoroethanide
3917	190	0	0	False	2-bromo-2-propene-1-ol
7513	190	0	4	True	dipotassium_phosphate
9996	190	0	0	True	calcium_phosphate_dihydrate
10017	190	0	78	True	sodium_phosphate__dibasic
7988	191	7	0	False	allicin
13028	191	0	0	False	methimazole_sulfenic_acid_metabolite_(open)
2047	194	0	0	False	methyl_methylsulfinylmethyl_sulfide
4779	194	3	0	True	pentaerythritol_tetranitrate
9968	194	0	0	True	quaternium-15
84	195	0	2	True	ethchlorvynol
542	195	0	170	True	sevelamer
5128	196	0	11	True	methenamine
420	197	0	0	True	guanidine
13084	197	0	0	False	triazole
3238	198	1	0	False	1_2_4-triazole
7543	198	2	50	True	simethicone
7765	198	0	0	True	poloxalene
1356	200	2	0	True	chloral_hydrate
3401	200	0	0	False	n-hydroxyguanidine
4588	200	39	0	False	pimagedine
2384	201	0	0	False	1-methylimidazole
3466	201	0	0	False	tetra(imidazole)diaquacopper_(ii)
724	202	9	12	True	cysteamine
9304	202	0	0	False	diiodohydroxypropane
3952	203	0	0	False	vinylsulphonic_acid
7715	203	0	1	True	chlorobutanol
9247	203	0	0	False	methiodal
2308	204	0	0	False	se-ethyl-isoselenourea
7542	204	0	0	True	urea_c-13
7589	204	0	5	True	carbamide_peroxide
9091	204	0	0	True	norflurane
11206	204	0	0	False	sulfamate
3033	206	4	0	False	imidazole
3666	206	0	0	False	n-propyl_isocyanide
9038	206	0	0	False	methanesulfonyl_fluoride
476	207	1	3	True	piperazine
1026	207	8	16	True	halothane
1577	207	0	0	False	2-ammoniobut-3-enoate__2-amino-3-butenoate
3013	207	0	0	False	mercaptoethanol
1975	208	0	0	False	s-ethylisothiourea
2806	208	0	0	False	diamino-n-[3-(1_3_2-dioxaborolan-2-yloxy)propyl]methaniminium
9182	208	1	0	True	thiram
13025	208	0	0	False	methimazole_n-methyl_thiourea_metabolite
774	209	26	57	True	ethanol
2070	209	0	0	False	2-aminothiazoline
122	210	3	11	True	enflurane
9076	210	0	0	True	biguanide
9952	210	0	0	True	tetramethylthiuram_monosulfide
13029	210	0	0	False	methimazole_sulfinic_acid_metabolite_(
13030	210	0	0	False	methimazole_sulfinic_acid_metabolite_(open)
415	211	134	174	True	cyclophosphamide
1403	211	0	0	True	erythrityl_tetranitrate
1680	211	0	0	False	[methyltelluro]acetate
2588	211	0	0	False	3-(prop-2-ene-1-sulfinyl)-propene-1-thiol
11570	211	0	0	False	4-ketocyclophosphamide
12135	211	0	0	False	l-cyclophosphamide
1576	212	0	0	False	2-(trimethylammonium)ethyl_thiol
1949	212	1	0	False	acetone_cyanohydrin
2126	213	0	0	False	methylethylamine
7201	213	0	0	False	enviomycin
8772	213	1	0	False	perfosfamide
899	214	3	0	True	methoxyflurane
2003	214	0	0	False	ethyl-trimethyl-silane
2986	214	0	0	False	1_4-diethylene_dioxide
2778	215	0	0	False	[methylseleno]acetate
8906	215	0	1	False	trofosfamide
9961	215	0	0	True	ethylenediamine
10688	215	0	0	False	4-hydroxycyclophosphamide
11204	215	0	0	False	ethylenediamine
1515	216	0	0	False	3-chloroalaninate
1056	217	3	30	True	desflurane
9704	217	0	0	False	bibrocathol
10689	217	0	0	False	dechloroethyl_cyclophosphamide
10690	217	0	0	False	3-dechloroethylifosfamide
11617	217	0	0	False	nornitrogen_mustard
2461	218	3	0	False	pyrazole
3973	218	0	0	False	crotonaldehyde
7314	218	0	0	True	technetium_tc-99m_medronate
9427	218	0	0	False	cerium_oxalate
1199	219	32	79	True	sodium_bicarbonate
7296	219	1	9	True	paraldehyde
7573	219	0	16	True	potassium_bicarbonate
8246	219	1	0	False	mafosfamide
9901	219	1	13	False	dimethyl_sulfone
11138	219	0	0	False	dimethyl_sulfone
633	220	16	44	True	isoflurane
7778	220	2	0	True	thiostrepton
9092	220	0	0	True	pentafluoropropane
9192	220	0	0	False	propatyl_nitrate
11571	220	0	0	False	4-ketoifosfamide
2428	221	0	0	False	4-iodopyrazole
2739	221	1	0	False	malonaldehyde
7496	221	0	2	True	tannic_acid
13026	221	0	0	False	methimazole_sulfenic_acid_(open_structure)
2527	222	0	0	False	dihydrogenphosphate
2736	222	0	0	False	1-aminocyclopropylphosphonate
7512	222	0	6	True	monopotassium_phosphate
7520	222	0	113	True	sodium_phosphate__monobasic
7678	222	0	0	False	sulfuric_acid
8461	222	0	0	False	5-amino-1_3_4-thiadiazole-2-thiol
12235	222	0	0	False	chlorotrifluoroethane
2296	223	0	0	False	f-loop_of_vitamin_b12
3003	223	0	0	False	1-bromopropane-2-ol
10314	223	0	0	False	methamidophos
12134	223	0	0	False	l-ifosfamide
12482	223	0	0	False	bromonitroethanol
13022	223	0	0	False	methimazole_epoxide_metabolite
643	224	18	89	True	methimazole
10091	224	0	0	False	acetyl_chloride
11641	224	0	0	False	ifosforamide_aziridinium
3817	225	0	0	False	2-iminiopropanoate
5113	225	8	0	True	dimercaprol
7322	225	2	0	False	ferric_pyrophosphate
7336	225	0	0	True	technetium_tc-99m_pyrophosphate
152	226	0	99	True	calcium_acetate
1617	226	0	0	False	n_n-dimethylformamide
7504	226	5	14	True	sodium_acetate
7511	226	0	0	True	magnesium_acetate_tetrahydrate
7724	226	16	0	True	dichlorvos
9302	226	0	0	True	sodium_feredetate
9626	226	0	0	False	methylpentynol
9830	226	0	0	True	magnesium_acetate
10002	226	6	5	True	zinc_acetate
10013	226	0	8	True	potassium_acetate
10024	226	0	0	False	acetate
10031	226	0	1	True	aluminum_acetate
11967	226	0	0	False	acetate
12411	226	0	0	False	betaine
19	227	14	14	True	choline
608	227	53	112	True	nitroglycerin
2044	227	0	0	False	4-(1_3_2-dioxaborolan-2-yloxy)butan-1-aminium
7436	227	0	0	True	choline_c_11
7555	227	0	0	True	choline_c-11
9565	227	0	0	False	morpholine
10028	227	0	1	False	magnesium_lactate
12889	227	0	0	False	1_2-glyceryl_dinitrate
12890	227	0	0	False	nitrite
12891	227	0	0	False	nitric__oxide
12892	227	0	0	False	s-nitrosothiol
12893	227	0	0	False	1_3-glyceryl_dinitrate
1048	228	53	122	True	ifosfamide
2614	229	0	0	False	hexafluoroacetone_hydrate
3172	229	0	0	False	[methylthio]acetate
3612	229	0	0	False	ethanolamine
4256	229	0	0	False	dimethyl_thiophosphate
8109	229	0	0	False	lesogaberan
3991	230	0	0	False	[formylmethyl]trimethyl-ammonium__n_n_n-trimethylammonium_acetaldehyde
4251	230	0	0	False	octylphenoxy_polyethoxyethanol
377	231	1	2	True	altretamine
765	231	1	12	True	mechlorethamine
2587	231	0	0	False	sulfamic_acid_2_3-o-(1-methylethylidene)-4_5-o-sulfonyl-beta-fructopyranose_ester
4085	231	0	0	False	(3s)-2_3_4_5-tetrahydropyridin-3-amine
8998	231	0	0	False	4-isothioureidobutyronitrile
9724	231	0	0	True	noxytiolin
3441	232	0	0	False	2-(n-morpholino)-ethanesulfonic_acid
7486	232	0	0	True	propiolactone
9819	232	0	0	False	cyclopropane
223	233	49	143	True	metformin
9612	233	1	0	False	trolnitrate
10691	233	0	0	False	dechloroethylifosfamide
11395	233	0	0	False	hexafluoroisopropanol
4167	234	0	0	False	3-bromo-3-buten-1-ol
7334	234	0	0	True	technetium_tc-99m_sestamibi
9651	234	0	0	False	aurotioprol
9912	234	0	0	True	tetrakis(2-methoxyisobutylisocyanide)copper(i)_tetrafluoroborate
9963	234	0	0	True	ditiocarb_zinc
154	235	8	32	True	cycloserine
1803	235	0	0	False	1_2_4-triazole-carboxamidine
1924	235	0	0	False	mercury_acetate_ion
3276	235	0	0	False	ethanesulfonic_acid
3418	235	0	0	False	2_3-dimethylimidazolium_ion
7178	235	0	0	False	flurothyl
9536	235	0	0	False	tenitramine
1102	236	7	65	True	sevoflurane
1737	236	0	0	False	7_9-dimethylguanine
3523	236	0	0	False	2-methyl-2-propanol
13027	236	0	0	False	methimazole_sulfinic_acid_metabolite_(open_structure)
1485	237	0	0	False	n-(2-ferrocenylethyl)maleimide
2900	237	0	0	False	trifluoroethanol
12484	237	0	0	False	2-bromoethanol
11896	238	0	0	False	dimesna
8226	239	0	0	False	rrx-001
12041	239	0	0	False	(2r_3s)-2-[(1r)-1-[3_5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
1293	240	0	0	False	chloral_betaine
2534	240	0	0	False	3_4-dihydro-2h-pyrrolium-5-carboxylate
4323	240	0	0	False	propyl-1-phosphate
5095	240	18	10	True	glycine_betaine
8340	240	0	0	False	auriclosene
2443	241	1	0	False	acetamide
3541	241	0	0	False	6s-5_6_7_8-tetrahydrobiopterin
9947	241	0	0	True	diazolidinylurea
3745	242	0	0	False	5-fluoro-4-(s)-hydroxy-3_4-dihydropyrimidine
9260	242	0	0	False	mannosulfan
760	243	22	57	True	isosorbide_dinitrate
2299	243	0	0	False	acrylic_acid
7291	243	33	0	True	coenzyme_m
7783	243	6	0	True	metrifonate
8566	243	0	0	True	taurolidine
8980	243	0	0	False	neosaxitoxin
11638	243	0	0	False	acrylic_acid
12234	243	0	0	False	trifluoroacetyl_chloride
1080	244	5	1	True	fomepizole
7622	244	0	1	True	magnesium_glycinate
7628	244	0	0	True	aluminum_zirconium_octachlorohydrex_gly
7634	244	0	5	True	ferrous_bisglycinate
8959	244	0	0	False	mitoguazone
9526	244	0	0	False	aluminium_glycinate
10008	244	0	0	False	zinc_glycinate
10016	244	0	2	True	ferrous_glycine_sulfate
11265	244	0	0	False	3-amino-2-oxazolidone
12428	244	0	0	False	hydracrylic_acid_derivatives
522	245	4	1	True	inulin
2863	245	0	0	False	cu-cyclam
4473	245	4	0	False	neramexane
5005	245	0	0	False	n-chlorotaurine
8881	245	0	0	False	dianhydrogalactitol
1451	246	0	0	False	d-myo-inositol-hexasulphate
4613	246	0	0	False	px-12
7795	246	0	0	True	sodium_tripolyphosphate
11264	246	0	0	False	3-amino-1-hydroxy-5_7-dimethyl-adamantane
11966	246	0	0	False	test459
13023	246	0	0	False	methimazole_dihydrodiol_metabolite
167	247	40	217	True	topiramate
3524	247	0	0	False	5-oxo-pyrrolidine-2-carbaldehyde
3527	247	2	34	True	urea
7158	247	0	88	True	iopamidol
9487	247	0	0	False	aminoethyl_nitrate
12012	247	0	0	False	2-(difluoromethoxy)-2_2-difluoroacetyl_fluoride
13033	247	0	0	False	3-methyl-2-thiohydantoin
13160	247	0	0	False	10-hydroxy_topiramate
13161	247	0	0	False	9-hydroxy_topiramate
2341	248	0	0	False	homoserine_lactone
8522	248	23	0	False	sulforaphane
9605	248	0	0	False	dixanthogen
1595	249	0	0	False	(4r_5r)-1_2-dithiane-4_5-diol
2402	249	0	0	False	(4s_5s)-1_2-dithiane-4_5-diol
2842	249	0	0	False	pentabromophenol
3268	249	0	0	False	adamantane
4044	249	0	0	False	tetrabromo-2-benzotriazole
9805	249	0	0	True	bronopol
11014	249	0	0	False	5-ethyl-5-methyl-2_4-oxazolidinedione
11026	249	0	0	False	dimethadione
877	250	26	93	True	hydroxyurea
4675	250	1	0	False	palifosfamide
10666	250	2	0	False	antimony_potassium_tartrate
11619	250	0	0	False	isophosphamide_mustard
11639	250	0	0	False	phosphoramide_mustard
12032	250	0	0	False	2-(4-ethyl-5-oxo-1_2_3_4-tetrazol-1-yl)acetaldehyde
256	251	4	89	True	sucralfate
1760	251	0	0	False	2-aminoprop-2-enamide
2061	251	1	5	True	isopropyl_alcohol
3636	251	0	0	False	s-isopropyl-isothiourea
4148	251	27	66	True	thiotepa
9359	251	0	0	False	citiolone
12634	251	0	0	False	topiramate_m3
12635	251	0	0	False	topiramate_m4
700	252	28	56	True	disulfiram
8048	252	0	0	False	creatinine
9902	252	0	0	False	8-epi-cyanocobalamin
11882	252	0	0	False	romidepsin_(active)
390	253	48	125	True	cimetidine
1599	253	0	0	False	n-butyl_isocyanide
6497	253	0	0	False	s-[(1-hydroxy-2_2_5_5-tetramethyl-2_5-dihydro-1h-pyrrol-3-yl)methyl]_methanesulfonothioate
9206	253	0	0	False	meladrazine
9592	253	0	0	False	ambazone
1562	254	0	0	False	4-imino-5-methidyl-2-methylpyrimidine
11230	254	0	0	False	1-amino-3-hydroxymethyl-5-methyl-adamantane
3560	255	0	0	False	(4s)-4-hydroxy-3_4-dihydro-2(1h)-pyrimidinone
4268	255	0	0	False	gamma-butyrolactone
913	256	33	46	True	memantine
3862	256	0	0	False	carbamic_acid
4897	256	0	0	False	eprodisate
9429	256	0	0	False	mebicar
11293	256	0	0	False	4-hydroxymethylpyrazole
1715	257	54	12	True	taurine
2244	257	12	0	False	ditiocarb
2471	257	0	0	False	tert-butyloxycarbonyl_group
7078	257	2	0	False	tetraethylammonium
8089	257	0	0	False	2_4-thiazolidinedione
10068	257	0	0	False	peracetic_acid
1838	258	0	0	False	1-aminocyclopropanecarboxylic_acid
1947	258	0	0	False	malonate_ion
4689	258	0	0	False	strontium_malonate
7503	258	1	6	True	phosphoric_acid
7798	258	0	0	True	sulfotep
9479	258	0	0	False	allobarbital
3184	259	0	0	False	glycoluril
3216	259	0	0	False	tris-hydroxymethyl-methyl-ammonium
8120	259	3	0	False	flomoxef
2142	260	0	0	False	tetrahydropyran
2850	260	0	0	True	propyl_alcohol
5857	260	0	0	False	(2s)-2-{[4-chloro-6-(ethylamino)-1_3_5-triazin-2-yl]amino}-2-methylbutanenitrile
5858	260	0	0	False	(2r)-2-{[4-chloro-6-(ethylamino)-1_3_5-triazin-2-yl]amino}-2-methylbutanenitrile
6885	260	0	0	False	(5r)-5-[(1e)-buta-1_3-dienyl]-4-hydroxy-3_5-dimethylthiophen-2(5h)-one
7053	260	5	0	False	metiamide
7057	260	1	1	True	dichloroacetic_acid
7175	260	2	0	True	fursultiamine
7627	260	0	0	True	ferrous_cysteine_glycinate
8536	260	0	0	False	ioforminol
9014	260	0	0	False	biapenem
9327	260	0	0	False	methylpropylpropanediol_dinitrate
9656	260	0	0	False	domiodol
10006	260	1	65	True	ferrous_fumarate
11467	260	0	0	False	n2-monodes-methylnizatidine
11679	260	0	0	False	uroterpenol
12566	260	0	0	False	etoperidone_m19
803	261	38	145	True	famotidine
2509	261	0	0	False	diethylphosphono_group
3386	261	0	0	True	tromethamine
3461	261	0	0	False	(3s)-3-(dioxidosulfanyl)-n-[(1z)-3-oxoprop-1-en-1-yl]-4-(1h-1_2_3-triazol-1-yl)-d-valine
5047	261	0	56	True	gadobutrol
7426	261	1	0	True	strontium_ranelate
9278	261	3	0	False	deanol
9298	261	0	0	False	vinbarbital
10505	261	14	0	False	perillyl_alcohol
10921	261	0	0	False	trifluoroacetic_acid
11677	261	0	0	False	perillyl_alcohol
12288	261	0	0	False	carveol
1575	262	0	0	False	(4r)-7aza-7_8-dihydrolimonene
3049	262	0	0	False	4-methylimidazole
3119	262	0	0	False	violaxanthin
8553	262	23	0	False	muscimol
9498	262	2	0	False	diethyl_ether
12565	262	0	0	False	etoperidone_m20
13031	262	0	0	False	methimazole_sulfenic_acid_metabolite_(ring)
1448	263	0	0	False	lambda-bis(2_2'-bipyridine)-(5-methyl-2-2'-bipyridine)-c9-adamantane_ruthenium_(ii)
1692	263	0	0	False	5-methylpyrrole
2211	263	0	0	False	2-hydroxyethyl_disulfide
2841	263	0	16	True	acetic_acid
3259	263	0	0	False	kabiramide_c
3468	263	0	0	False	2-chloro-6-methyl-aniline
4728	263	0	0	False	mk-0354
9432	263	0	0	False	pentaerithrityl
10396	263	0	0	False	acetic_acid_c-11
11053	263	0	0	False	acetic_acid
363	264	3	6	True	methohexital
791	264	37	87	True	amantadine
1493	264	0	0	False	2_3_4_5_6-pentafluorobenzyl_alcohol
2491	264	0	0	False	isochorismic_acid
3105	264	0	0	False	(3s)-3-(dioxidosulfanyl)-n-[(1e)-3-oxoprop-1-en-1-yl]-4-(1h-1_2_3-triazol-1-yl)-d-valine
3476	264	0	0	False	jaspisamide_a
8594	264	0	0	False	imeglimin
9888	264	0	0	True	imidurea
11678	264	0	0	False	perillyl_acid
168	265	7	7	True	cefmetazole
372	265	0	0	True	gallamine_triethiodide
3794	265	0	0	False	mdl72527
4930	265	14	17	False	clomethiazole
5804	265	0	0	False	5-(hexahydro-2-oxo-1h-thieno[3_4-d]imidazol-6-yl)pentanal
9113	265	0	0	True	fluciclovine_(18f)
9768	265	0	0	False	coumermycin_a1
9921	265	0	0	False	parasorbic_acid
10472	265	0	0	False	fluciclovine
10665	265	0	0	False	patulin
11338	265	0	0	False	aldoifosfamide
12453	265	0	0	False	hydroxymethyl_moxonidine
367	266	1	1	True	rimantadine
1396	266	1	51	True	tazobactam
1944	266	0	0	False	2-bromoacetyl_group
3940	266	0	0	False	glyoxylic_acid
4072	266	0	0	False	diisopropylphosphono_group
6495	266	0	0	False	2-t-butylamino-4-ethylamino-6-methylthio-s-triazine
7930	266	0	0	True	iomeprol
9241	266	0	0	False	sobrerol
11653	266	0	0	False	methylmercaptopurine
746	267	3	84	True	dorzolamide
848	267	29	75	True	dipyridamole
5102	267	0	0	True	ammonium_lactate
5704	267	0	0	False	2-chloro-4-isopropylamino-6-ethylamino_-1_3_5-triazine
7137	267	0	0	False	(4r)-limonene
7174	267	0	0	True	fusafungine
7530	267	0	0	True	potassium_lactate
9169	267	4	18	True	calcium_lactate
9967	267	0	0	True	methylchloroisothiazolinone
10005	267	0	4	True	ferrous_ascorbate
10447	267	0	0	False	fluoroacetic_acid_f-18
12021	267	0	0	False	4-(diethylamino)but-2-yn-1-ol
12489	267	0	0	False	m5_(bioallethrin)
13032	267	0	0	False	methimazole_sulfinic_acid_metabolite_(ring)
2324	268	0	0	False	2-butanol
2542	268	0	0	False	l-thioproline
3231	268	0	0	False	pyruvaldehyde
3277	268	0	0	False	glycinamid
3407	268	0	0	False	lactaldehyde
4586	268	8	2	True	histamine
4706	268	2	0	False	laromustine
4815	268	0	32	True	doripenem
8867	268	0	0	False	timonacic
11459	268	0	0	False	n-nitroso-3-hydroxypyrrolidine
12763	268	0	0	False	5-allyl-5-(3-hydroxy-2-methyl-1-propyl)_barbituric_acid
95	269	4	0	True	hydroxocobalamin
1388	269	7	37	True	imipenem
1476	269	0	0	False	dithioerythritol
1528	269	0	0	False	1_2-dimethoxyethane
1932	269	0	0	False	d-1_4-dithiothreitol
2616	269	0	0	False	(4r)-limonene_1α_2α-epoxide
2708	269	0	0	False	ulapualide_a
3802	269	0	0	False	descarboxy-nor-n(omega)-hydroxy-l-arginine
4029	269	2	0	False	1_4-dithiothreitol
4759	269	1	0	False	evofosfamide
11224	269	0	0	False	aldophosphamide
904	270	19	199	True	mercaptopurine
3257	270	5	54	True	methylcobalamin
4309	270	1	0	False	myxothiazol
6112	270	0	0	False	(1r)-1_2_2-trimethylpropyl_(r)-methylphosphinate
6442	270	0	0	False	(2s)-2-amino-4-(methylsulfanyl)-1-(1_3-thiazol-2-yl)butane-1_1-diol
7631	270	0	0	True	alcloxa
10539	270	0	0	False	dinalbuphine_sebacate
11197	270	0	0	False	6-mercaptopurine
669	271	7	0	True	uracil_mustard
925	271	0	0	True	echothiophate
2013	271	0	0	False	[2-aminomethyl-5-oxo-4-(4-oxo-cyclohexa-2_5-dienylmethyl)-4_5-dihydro-imidazol-1-yl]_-acetaldehyde
2882	271	0	0	False	beta-1_2_3_4_6-penta-o-galloyl-d-glucopyranose
3278	271	0	0	False	guanidine-3-propanol
3581	271	0	0	False	2c-methyl-d-erythritol_2_4-cyclodiphosphate
3942	271	0	0	False	(2r_4s)-2-methyl-2_3_3_4-tetrahydroxytetrahydrofuran
4289	271	0	0	False	s-methyl-4_5_6_7-tetrabromo-benzimidazole
4341	271	0	0	False	reidispongiolide_a
9361	271	0	0	True	ioxitalamic_acid
10173	271	0	0	False	ceftobiprole_medocaril
10653	271	0	0	False	alpha-pinene
156	272	36	83	True	carmustine
728	272	23	61	True	dacarbazine
958	272	5	0	True	pentolinium
1327	272	0	0	False	chlorhexadol
2335	272	0	0	False	ethyl_dimethyl_ammonio_propane_sulfonate
2543	272	0	0	False	(2s_3r)-1-amino-2-methylbutane-2_3-diol
4342	272	0	0	False	reidispongiolide_c
4350	272	0	0	False	sphinxolide_b
4721	272	1	0	False	seletracetam
11212	272	0	0	False	desacetyl-cefotaxime
11511	272	0	0	False	6-thiouric_acid
11652	272	0	0	False	thiouric_acid
1551	273	0	0	False	dihydroxyacetone
1877	273	0	0	False	adamantanone
2293	273	0	0	False	bv4
2388	273	0	0	False	2-[3-(2-hydroxy-1_1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1_3-diol
2398	273	0	0	False	2_3-didehydroalanine
2768	273	0	0	False	2-(sec-butyl)thiazole
4288	273	0	0	False	dimethyl-(4_5_6_7-tetrabromo-1h-benzoimidazol-2-yl)-amine
8030	273	0	0	False	mirogabalin
9162	273	0	0	False	piperidione
12454	273	0	0	False	hydroxy_moxonidine
501	274	0	0	True	paramethadione
975	274	0	0	True	methyprylon
1161	274	1	9	True	cefotetan
1571	274	0	0	False	(2r)-2-(aminomethyl)-2_4-dihydroxy-5-oxo-3-(2-oxoethyl)-2_5-dihydro-1h-imidazol-3-ium
2252	274	0	0	False	tetrazolyl_histidine
2504	274	0	0	False	2-methoxyethanol
2630	274	0	0	False	(4s)-2-[(1e)-1-aminoprop-1-enyl]-4_5-dihydro-1_3-thiazole-4-carboxylic_acid
2828	274	0	0	False	3h-pyrazolo[4_3-d]pyrimidin-7-ol
3552	274	0	0	False	4-methyl-pyrroline-5-carboxylic_acid
3633	274	0	0	False	methionine_phosphinate
3769	274	0	0	False	propionamide
4503	274	1	0	False	imexon
4585	274	0	0	False	dotmp_ho-166
8839	274	0	0	False	terpinen-4-ol
9695	274	3	0	False	tisopurine
10547	274	0	0	False	nacubactam
10596	274	0	0	False	thioglycolic_acid
12567	274	0	0	False	etoperidone_m21
469	275	7	37	True	nizatidine
560	275	0	0	True	isoflurophate
2104	275	0	0	False	2-(2-hydroxy-1_1-dihydroxymethyl-ethylamino)-ethanesulfonic_acid
3587	275	0	0	False	1-methyl-2-oxy-5_5-dimethyl_pyrrolidine
3714	275	0	0	False	3-methylcytosine
3885	275	0	0	False	l-proline_betaine
4048	275	0	0	False	sr12813
4554	275	8	0	False	beraprost
5140	275	0	0	True	pyrithione
9142	275	0	0	False	dimethyl_carbate
9384	275	1	0	False	cefodizime
9997	275	0	0	True	sodium_ascorbate
9998	275	0	2	True	calcium_ascorbate
9999	275	0	1	True	magnesium_ascorbate
10000	275	0	0	True	zinc_ascorbate
10501	275	0	0	False	sulopenem
33	276	7	6	True	lutein
435	276	1	0	True	acetohydroxamic_acid
953	276	16	50	True	pilocarpine
1002	276	0	0	True	doxacurium
2599	276	0	0	False	(2s_4s)-alpha-campholinic_acid
2927	276	0	0	False	(2s)-pyrrolidin-2-ylmethylamine
3093	276	0	0	False	beta-amino_isobutyrate
3490	276	0	0	False	monothioglycerol
3902	276	0	0	False	4-hydroxy-3_5-dimethyl-5-(2-methyl-buta-1_3-dienyl)-5h-thiophen-2-one
5147	276	17	5	True	triethylenetetramine
7156	276	0	0	False	iotroxic_acid
8404	276	0	0	False	apomine
8546	276	12	0	False	tempol
8604	276	0	0	False	methyl_pyrrolidone
9257	276	0	0	False	pyrithyldione
9687	276	0	0	False	ethadione
10228	276	0	0	False	fluoromisonidazole_f-18
11033	276	0	0	False	5-hydroxy_saxagliptin
302	277	0	117	True	pramipexole
585	277	4	3	True	methazolamide
1158	277	14	104	True	cefazolin
1612	277	1	9	True	propylene_glycol
1908	277	0	0	False	(r)-propylene_glycol
3357	277	0	0	False	(1s_2s)-1-amino-1-(1_3-thiazol-2-yl)propan-2-ol
3735	277	0	0	False	aurodox
3945	277	0	0	False	(s)-propane-1_2-diol
4965	277	2	0	False	gaboxadol
5094	277	21	3	True	beta_carotene
7434	277	0	0	True	bismuth_subcitrate_potassium
7614	277	0	0	True	zeaxanthin
7743	277	0	0	True	lasalocid
7954	277	2	44	True	rilmenidine
9265	277	0	0	False	etoglucid
9497	277	0	0	False	moroxydine
9659	277	0	0	False	ferric_sodium_citrate
10033	277	0	0	True	tetraferric_tricitrate_decahydrate
10405	277	0	0	False	dexpramipexole
13121	277	0	0	False	2-hydroxyethyl_succinimide
307	278	1	3	True	secobarbital
880	278	22	115	True	busulfan
1021	278	3	11	True	thiamylal
1918	278	2	0	False	9_10-deepithio-9_10-didehydroacanthifolicin
2139	278	0	0	False	(1r_4s)-2-azabornane
2938	278	0	0	False	glutaral
3011	278	0	0	False	malate_like_intermediate
4541	278	0	0	False	ngx267
4874	278	0	0	False	4-o-demethylpenclomedine
5836	278	0	0	False	(1r_3r)-5-[(2e)-3-{(1s_3r)-2_2_3-trimethyl-3-[6_6_6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1_3-diol
7245	278	0	0	True	ceftolozane
7379	278	12	28	True	piracetam
9220	278	0	0	True	tromantadine
9319	278	1	0	False	linsidomine
9425	278	0	0	False	clodantoin
11356	278	0	0	False	ceftaroline
120	279	1	0	True	guanadrel
199	279	0	0	True	talbutal
239	279	7	0	True	trimethadione
271	279	4	23	True	dexrazoxane
300	279	4	12	True	carbamoylcholine
706	279	22	25	True	fosfomycin
1092	279	3	7	True	mivacurium
1283	279	0	1	False	barbital
1389	279	22	6	True	probucol
2766	279	0	0	True	glycolic_acid
3438	279	1	0	False	histidinol
4673	279	0	0	False	faropenem_medoxomil
4954	279	1	0	False	tramiprosate
7906	279	2	27	False	treosulfan
7974	279	0	0	False	marizomib
9190	279	0	0	True	proxibarbal
11375	279	0	0	False	diethylcarbamazine_n-oxide
11458	279	0	0	False	n-mononitrosopiperazine
1177	280	0	0	False	aprobarbital
2039	280	0	0	False	(5s)-5-iododihydro-2_4(1h_3h)-pyrimidinedione
3822	280	0	0	False	l-2-amino-3-butynoic_acid
4634	280	1	0	False	atiprimod
5220	280	0	0	False	2-(2-hydroxy-cyclopentyl)-pent-4-enal
5975	280	0	0	False	o_o-diethyl_hydrogen_thiophosphate
6740	280	0	0	False	[(4r)-2_2-dimethyl-1_3-dioxolan-4-yl]methyl_hydrogen_hex-5-enylphosphonate
6810	280	0	0	False	[(4s)-2_2-dimethyl-1_3-dioxolan-4-yl]methyl_hydrogen_hex-5-enylphosphonate
7159	280	0	0	False	iodamide
7640	280	22	1	True	lycopene
7994	280	0	0	False	pefcalcitol
10200	280	0	0	True	diroximel_fumarate
355	281	11	0	False	picrotoxin
1115	281	0	90	True	iodixanol
2475	281	0	0	False	1_3-propandiol
2711	281	0	0	False	2-methyl-3-(2-aminothiazolo)propanal
4194	281	0	0	False	cycloleucine
4394	281	1	0	True	urethane
5902	281	0	0	False	[(2-amino-alpha-methoxyimino-4-thiazolylacetyl)amino]methylboronic_acid
7244	281	0	0	True	naloxegol
8650	281	0	0	False	ronopterin
9174	281	0	0	False	stibophen
9631	281	0	0	False	bemegride
10401	281	0	0	False	pcs-499
12491	281	0	0	False	m7_(bioallethrin)
12632	281	0	0	False	topiramate_m1
12672	281	0	0	False	ranitidine_n-oxide
12785	281	0	0	False	3'(s)-hydroxy-pravastatin-tetranor
12918	281	0	0	False	2-hydroxymetronidazole
13159	281	0	0	False	2_3-desisopropylidene_topiramate
131	282	0	0	True	butabarbital
1019	282	2	0	True	candicidin
1061	282	2	38	True	brinzolamide
2556	282	0	0	False	calyculin_a
4201	282	0	0	False	aplyronine_a
4684	282	0	0	False	gantacurium
4766	282	0	0	False	bisegliptin
5883	282	0	0	False	bis-1_2-{[(z)-2carboxy-2-methyl-1_3-dioxane]-5-yloxycarbonyl}-piperazine
7101	282	0	31	True	eribulin
7656	282	0	0	True	calcium_glycerophosphate
7911	282	0	0	False	apr-246
9309	282	0	0	False	iopydol
9446	282	0	0	False	iprazochrome
9658	282	0	0	False	vinylbital
80	283	1	21	True	cevimeline
477	283	11	49	True	ethosuximide
1568	283	0	0	False	bis(molybdopterin)tungsten_cofactor
1852	283	0	0	False	s-azabisabolene
1895	283	0	0	False	1-hydroxy-2-isopropylguanidine
1991	283	0	0	False	(1r)-4-[(1e_3e_5e_7z_9e_11z_13e_15e)-17-hydroxy-3_7_12_16-tetramethylheptadeca-1_3_5_7_9_11_13_15-octaen-1-yl]-3_5_5-trimethylcyclohex-3-en-1-ol
2579	283	0	0	False	4-imino-5-methidyl-2-trifluoromethylpyrimidine
2837	283	0	0	False	4-oxo-4_5-dihydro-1_2_5-thiadiazole-3-carboxylic_acid
3500	283	0	0	False	al4623
3603	283	0	0	False	r-azabisabolene
3694	283	0	0	False	(4s-trans)-4-(methylamino)-5_6-dihydro-6-methyl-4h-thieno(2_3-b)thiopyran-2-sulfonamide-7_7-dioxide
3958	283	5	0	False	arecoline
4877	283	5	23	True	saxagliptin
4981	283	0	0	True	ceftaroline_fosamil
5773	283	0	0	False	(1s_3s_5s)-2-{(2s)-2-amino-2-[(1r_3s_5r_7s)-3-hydroxytricyclo[3.3.1.1~3_7~]dec-1-yl]acetyl}-2-azabicyclo[3.1.0]hexane-3-carbonitrile
6114	283	0	0	False	4-ethyl-5-methyl-2-(1h-tetrazol-5-yl)-1_2-dihydro-3h-pyrazol-3-one
8413	283	0	0	False	talsaclidine
8448	283	1	0	True	cantharidin
10654	283	0	0	False	beta-pinene
11011	283	0	0	False	cevimeline_trans-sulfoxide
11012	283	0	0	False	cevimeline_cis-sulfoxide
11013	283	0	0	False	cevimeline_n-oxide
11221	283	0	0	False	5_6-dihydro-5-fluorouracil
11344	283	0	0	False	ascorbic_acid-2-sulfate
12422	283	0	0	False	5-fuh2
166	284	0	0	True	betazole
1424	284	0	0	False	2_2-dimethylthiazolidine-4-carboxylic_acid;(dmt)thiazolidine
1620	284	0	0	False	3_4-dihydrouracil
1667	284	0	0	False	sucrosofate
1832	284	10	0	False	aminooxyacetic_acid
1879	284	0	0	False	methylphosphonic_acid_diisopropyl_ester
2148	284	0	0	False	(r_r)-2_3-butanediol
3060	284	0	0	False	(2r_3r_4s_5r_6e)-3_4_5-trihydroxy-n-[(3s_6r)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8_8-dimethyl-6-nonenamide
3144	284	0	0	False	(s)-aspartimide
3171	284	1	0	False	eniluracil
3210	284	0	0	False	(4r)-2-methylpentane-2_4-diol
4290	284	0	0	False	n1_n2-ethylene-2-methylamino-4_5_6_7-tetrabromo-benzimidazole
4555	284	9	0	False	tetrodotoxin
4931	284	0	0	False	naxifylline
9027	284	1	0	False	gossypol
9310	284	0	0	False	levoverbenone
11267	284	0	0	False	3-hydroxy-4-aminopyridine
11595	284	0	0	False	alcoifosfamide
135	285	0	41	True	butalbital
418	285	0	0	True	chlormerodrin
481	285	0	84	True	gadoteridol
640	285	9	90	True	meropenem
1827	285	0	0	False	butenoic_acid
2259	285	0	0	False	d-glyceraldehyde
2600	285	0	0	False	2-amino-vinyl-phosphate
2606	285	0	0	False	(6e)-6-[(2e_4e_6e)-3_7-dimethylnona-2_4_6_8-tetraenylidene]-1_5_5-trimethylcyclohexene
2689	285	0	0	False	peridinin
2805	285	4	4	True	acetylcholine
3318	285	0	0	False	tartronate
3698	285	0	0	False	1-[pyrrol-1-yl-2_5-dione-methoxymethyl]-pyrrole-2_5-dione
3841	285	0	0	False	tris(hydroxyethyl)aminomethane
3947	285	0	0	False	aconitate_ion
4037	285	0	0	False	n_n_n-trimethylglycinium
4220	285	0	0	False	tetrahedral_intermediate_of_blasticidin_s
4665	285	6	1	True	sodium_stibogluconate
5085	285	0	0	False	ginkgolide-b
6154	285	0	0	False	3-(1h-tetrazol-5-ylamino)cyclohex-2-en-1-one
7085	285	4	0	False	uric_acid
7089	285	0	0	False	guvacine
7219	285	0	35	False	carbazochrome
8311	285	0	0	True	deutetrabenazine
8551	285	17	0	True	omadacycline
9616	285	2	0	False	meldonium
9707	285	0	0	False	ceftezole
11067	285	0	0	False	uric_acid
41	286	0	9	True	glycine
352	286	0	0	False	metharbital
478	286	20	34	True	amiloride
891	286	8	10	True	bethanechol
1488	286	0	0	False	2-bromo-6-chloro-purine
1948	286	0	0	False	(s)-butane-1_3-diol
2658	286	0	0	False	4-methyl-5-hydroxyethylthiazole
3369	286	0	0	False	2-cyclopropylmethylenepropanal
4470	286	3	0	True	ceftobiprole
5086	286	0	0	False	ginkgolide-c
5223	286	0	0	False	(5s_6s)-6-[(r)acetoxyeth-2-yl]-penem-3-carboxylatepropane
6884	286	0	0	False	(5r)-4-hydroxy-3_5-dimethyl-5-[(1e_3e)-2-methylpenta-1_3-dienyl]thiophen-2(5h)-one
7072	286	2	0	False	dehydroascorbic_acid
8779	286	2	0	False	etanidazole
9167	286	0	0	False	enibomal
9916	286	9	0	True	butylene_glycol
11310	286	0	0	False	6-aminopenicillanic_acid
11342	286	0	0	False	aminoethoxyacetic_acid
161	287	3	0	True	cefmenoxime
483	287	21	84	True	thiopental
1079	287	59	164	True	ceftriaxone
1668	287	0	0	False	1-ethyl-pyrrolidine-2_5-dione
2263	287	0	0	False	4-hydroxybutan-1-aminium
2859	287	0	0	False	5-amino-3-methyl-pyrrolidine-2-carboxylic_acid
4592	287	0	0	False	succinobucol
7471	287	2	46	True	sulbactam
7937	287	14	0	False	misonidazole
8385	287	0	0	False	pg-701
8564	287	0	0	False	mk-3118
8644	287	0	0	False	tonapofylline
8986	287	0	0	False	brilacidin
9297	287	0	0	False	succinimide
9366	287	1	0	False	cadralazine
9501	287	1	0	False	oxiracetam
205	288	16	24	True	pentobarbital
279	288	5	39	True	carbimazole
1296	288	1	0	True	etorphine
2596	288	0	0	False	1_3-bis-([[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3_4-dioxo-cyclobutenyl]-amino-ethyl]-amino-carbonyloxy)-2-amino-propane
2656	288	0	0	False	n-ethylmaleimide
3015	288	0	0	False	triethyl_phosphate
3353	288	0	0	False	z-dehydrobutyrine
7409	288	8	60	True	moxonidine
8409	288	0	0	False	balapiravir
8510	288	0	12	True	iobitridol
8582	288	0	0	False	pd-217014
8725	288	1	0	False	rolofylline
8916	288	0	0	False	mitolactol
9012	288	1	11	False	ornidazole
9083	288	0	0	False	qgc-001
9323	288	0	0	False	edetate_sodium
9335	288	0	0	False	sulbutiamine
9448	288	0	0	False	mitobronitol
10087	288	0	0	True	edetate_calcium_disodium_anhydrous
10088	288	0	0	False	edetate_copper_disodium
10420	288	0	0	False	tmc-649128
11432	288	0	0	False	n-(2-hydroxyethyl)-morpholine_n-oxide
12486	288	0	0	False	m2_(bioallethrin)
12762	288	0	0	False	5-isobutyl-5-(2_3-dihydroxypropyl)_barbituric_acid
12	289	0	36	True	cyanocobalamin
444	289	4	68	True	tigecycline
902	289	0	0	True	ethinamate
1218	289	7	58	True	cefepime
2131	289	0	0	False	4-hydroxy-1_2_5-oxadiazole-3-carboxylic_acid
2547	289	0	0	False	thiocamphor
2566	289	0	0	False	3-butylthiolane_1-oxide
4645	289	1	0	True	brivaracetam
4962	289	8	0	False	astaxanthin
5053	289	2	0	True	methacholine
5115	289	0	0	True	gallium_citrate_ga_67
6393	289	0	0	False	(1r_4s_7as)-1-(1-formylprop-1-en-1-yl)-4-methoxy-2_4_5_6_7_7a-hexahydro-1h-isoindole-3-carboxylic_acid
7303	289	2	23	True	potassium_citrate
7328	289	5	35	True	sodium_citrate
7571	289	0	36	True	calcium_citrate
7574	289	0	3	True	allantoin
7579	289	0	26	True	magnesium_citrate
7603	289	0	0	True	zinc_citrate
7641	289	0	0	False	silver_citrate
8211	289	0	0	False	sepetaprost
8361	289	6	0	False	oxothiazolidinecarboxylic_acid
9114	289	1	0	True	levomenol
9484	289	0	0	False	ferric_(59fe)_citrate
9604	289	0	0	True	tritoqualine
9829	289	0	0	True	ferric_pyrophosphate_citrate
9907	289	0	0	False	cobalamin
10010	289	0	0	False	manganese_citrate
10020	289	3	16	True	lithium_citrate
10039	289	0	0	False	chromic_citrate
12783	289	0	0	False	3-keto-5_6-diol_pravastatin
247	290	12	47	True	aztreonam
892	290	8	0	True	isosorbide_mononitrate
4934	290	0	0	False	porfiromycin
5087	290	0	0	False	ginkgolide-j
5321	290	0	0	False	(2s)-2-methyl-2_3-dihydrothieno[2_3-f][1_4]oxazepin-5-amine
6778	290	0	0	False	(3ar_6r_6as)-6-((s)-((s)-cyclohex-2-enyl)(hydroxy)methyl)-6a-methyl-4-oxo-hexahydro-2h-furo[3_2-c]pyrrole-6-carbaldehyde
7251	290	0	0	True	avibactam
7691	290	0	0	True	ubiquinol
7752	290	0	0	True	narasin
8333	290	0	0	False	faropenem
10332	290	0	0	False	olorinab
11681	290	0	0	False	perillic_acid-8_9-diol
12187	290	0	0	False	desmethylranitidine
12779	290	0	0	False	5_6-epoxy-3-alpha-isopravastatin
646	291	0	0	True	clavulanic_acid
849	291	2	143	True	telithromycin
1176	291	3	4	True	amobarbital
1793	291	0	0	False	2_5-diaminopyrimidin-4_6-diol
2487	291	0	0	False	(s)-acetoin
3097	291	0	0	False	(2r_4s)-2-[(1r)-1-{[(2z)-2-(2-amino-1_3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5_5-dimethyl-1_3-thiazolidine-4-carboxylic_acid
3717	291	3	0	False	fotemustine
3827	291	0	0	False	sparsomycin
3957	291	0	0	False	(r)-acetoin
4043	291	0	0	False	coproporphyrinogen_iii
5657	291	0	0	False	1-(adamantan-1-yl)-2-(1h-imidazol-1-yl)ethanone
7612	291	0	0	False	2-(l-menthoxy)ethanol
8669	291	0	0	False	sonolisib
9617	291	0	0	False	nifuratel
10097	291	0	0	False	trifluoroethyl_acetate
10394	291	0	0	False	ingenol_disoxate
11537	291	0	0	False	4-amino-mx
12529	291	0	0	False	3-n-acetylamifampridine
402	292	0	0	True	anisotropine_methylbromide
787	292	5	7	True	tinidazole
956	292	15	45	True	iloprost
1154	292	0	0	True	kava
1468	292	0	0	False	1-hydroxy-1-thio-glycerol
1679	292	0	0	False	putrescine
2849	292	0	0	False	phosphonoacetaldehyde
2972	292	0	0	False	4_5_6_7-tetrachloro-3h-isobenzofuran-1-one
3199	292	0	0	False	(3r_4r)-3-hydroxy-4-(hydroxymethyl)-1-[(4-oxo-4_4a_5_7a-tetrahydro-3h-pyrrolo[3_2-d]pyrimidin-7-yl)methyl]pyrrolidinium
3543	292	0	0	False	n-methyl-alpha-beta-dehydroalanine
4695	292	0	0	False	irofulven
4746	292	0	0	False	aldoxorubicin
4800	292	2	0	False	elocalcitol
6836	292	0	0	False	1-(5-tert-butyl-1_3_4-oxadiazol-2-yl)-2-(methylamino)ethanone
7182	292	0	0	True	fluclorolone_acetonide
7310	292	0	108	True	ioversol
8203	292	0	0	False	atagabalin
8664	292	0	0	False	apaziquone
9473	292	0	0	False	pentamycin
9557	292	1	0	False	niridazole
9767	292	1	0	True	phloxine_b
9983	292	0	0	False	rose_bengal_lactone
10398	292	0	0	False	transfluthrin
11963	292	0	0	False	ba_345_br_(scopolamine_butylbromide)
70	293	22	49	True	pravastatin
123	293	3	38	True	cefotiam
601	293	17	7	True	clodronic_acid
740	293	39	0	True	ranitidine
1644	293	0	0	False	8-azaxanthine
1650	293	0	0	False	2-methylpentane-1_2_4-triol
1917	293	0	0	False	6-bromopurine
1987	293	0	0	False	3-methyl-5-sulfo-pyrrolidine-2-carboxylic_acid
2776	293	0	0	False	n-aminoethylmorpholine
5084	293	1	0	False	ginkgolide_a
5088	293	0	0	False	ginkgolide-m
5978	293	0	0	False	2-methyl-3_5_7_8-tetrahydro-4h-thiopyrano[4_3-d]pyrimidin-4-one
6392	293	0	0	False	(1s_4r_7ar)-4-butoxy-1-[(1r)-1-formylpropyl]-2_4_5_6_7_7a-hexahydro-1h-isoindole-3-carboxylic_acid
8349	293	0	0	False	tirasemtiv
8659	293	0	0	False	razupenem
8852	293	0	1	True	secnidazole
9543	293	3	0	False	methylthiouracil
9636	293	0	0	True	trolamine
11628	293	0	0	False	trabectedin_metabolite_16c
12673	293	0	0	False	ranitidine_s-oxide
12778	293	0	0	False	3-alpha-isopravastatin
12781	293	0	0	False	6-epi-pravastatin
12787	293	0	0	False	3'(s)-hydroxy-pravastatin
22	294	0	40	True	ascorbic_acid
434	294	11	105	True	propylthiouracil
467	294	35	19	True	levocarnitine
1251	294	0	0	False	dihydroetorphine
1626	294	0	0	False	5-(hydroxy-methyl-amino)-3-methyl-pyrrolidine-2-carboxylic_acid
2033	294	0	0	False	2-amino-6-chloropyrazine
2102	294	0	0	False	3-aza-2_3-dihydrogeranyl_diphosphate
2888	294	0	0	False	vinylglycine
3181	294	0	0	False	acylated_ceftazidime
6409	294	0	0	False	1_3_3-trimethyl-2-[(1e_3e)-3-methylpenta-1_3-dien-1-yl]cyclohexene
6857	294	0	0	False	4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6_7_8_9-tetrahydro-2h-2_7_9a-triaza-benzo[cd]azulene-1-thione
7711	294	0	0	True	butonate
8198	294	0	0	True	voxilaprevir
8422	294	0	0	False	5-(hydroxymethyl)-2-furaldehyde
8598	294	0	0	False	omaveloxolone
8603	294	0	0	False	sarcosine
9558	294	0	0	False	hexapropymate
10001	294	0	0	True	niacinamide_ascorbate
11625	294	0	0	False	trabectedin_metabolite_m8a
11875	294	0	0	False	doripenem-m1
12151	294	0	0	False	3''-hydroxylovastatin
12490	294	0	0	False	m6_(bioallethrin)
13024	294	0	0	False	methimazole_glyoxal_metabolite
792	295	58	239	True	metronidazole
867	295	4	13	True	auranofin
1214	295	3	87	True	tiotropium
1730	295	0	0	False	trans-urocanic_acid
3921	295	0	0	False	ovalicin
4317	295	0	0	False	2-(3-oxo-propylsulfanylcarbonyl)-ethanethiolate
4882	295	3	0	False	tezampanel
7717	295	0	0	True	clorsulon
7833	295	0	0	True	grazoprevir
8960	295	0	0	False	donu
8978	295	0	0	False	penclomedine
9746	295	0	0	False	iopentol
10004	295	0	1	True	ferrous_succinate
10021	295	2	0	False	lithium_succinate
11629	295	0	0	False	trabectedin_metabolite_m16e
12188	295	0	0	False	all-trans-retinal
12199	295	0	0	False	6'-exomethylene
12612	295	0	0	False	6'-exomethylene_lovastatin
12887	295	0	0	False	dithienylglycolic_acid
12888	295	0	0	False	n-methylscopine
58	296	26	0	True	vitamin_a
419	296	2	114	True	cefdinir
1542	296	0	5	True	dalfopristin
2034	296	0	0	False	5-hydroxyamino-3-methyl-pyrrolidine-2-carboxylic_acid
2153	296	0	0	False	thiopyrophosphate
2187	296	0	0	False	hydrogenobyrinic_acid
2513	296	0	0	False	7-(1-methyl-1_2_3-triazol-4-yl)-6-formyl-2_7-dihydro-[1_4]thiazepine-3-carboxylic_acid__brl42715__c6-(n1-methyl-1_2_3-triazolylmethylene)penem
3202	296	0	0	False	5-iodouracil
3299	296	0	0	False	butylamine
4569	296	0	0	True	samarium_(153sm)_lexidronam
5319	296	0	0	False	(3s_5e)-3-propyl-3_4-dihydrothieno[2_3-f][1_4]oxazepin-5(2h)-imine
6864	296	0	0	False	6-methyl-2(propane-1-sulfonyl)-2h-thieno[3_2-d][1_2_3]diazaborinin-1-ol
7088	296	0	0	False	hydroxyproline
7160	296	0	0	True	inositol_nicotinate
7441	296	6	26	True	molsidomine
7548	296	0	0	True	ecamsule
8025	296	1	1	False	nifurtimox
8443	296	0	0	False	gw-870086
9334	296	1	0	False	pentetrazol
10116	296	0	0	False	acetyl_simvastatin
11331	296	0	0	False	8-hydroxythioguanine
12457	296	0	0	False	retinol
12780	296	0	0	False	7-hydroxy-3-alpha-isopravastatin
13165	296	0	0	False	delta6-budesonide
252	297	2	29	True	sapropterin
893	297	3	32	True	trichlormethiazide
2224	297	0	0	False	6-(dihydroxy-isobutyl)-thymine
2641	297	0	0	False	alpha-aminoisobutyric_acid
3174	297	0	0	False	6-chloro-2-fluoropurine
3190	297	0	0	False	norcamphor
3220	297	0	0	False	ferricrocin-iron
3378	297	0	0	False	3-amino-4_5-dihydroxy-cyclohex-1-enecarboxylate
3478	297	5	9	False	eucalyptol
3651	297	0	0	False	ceftazidime_batsi
4352	297	0	0	False	streptolydigin
4365	297	0	0	False	thio-atpa
4451	297	1	0	False	calanolide_a
4546	297	0	0	False	sq-109
5882	297	0	0	False	bis-1_2-{[(z)-2-carboxy-2-methyl-1_3-dioxane]-5-yloxycarbamoyl}-ethane
6474	297	0	0	False	4-methyl-7_8-dihydro-5h-thiopyrano[4_3-d]pyrimidin-2-amine
6901	297	0	0	False	6-chloro-3-(dichloromethyl)-3_4-dihydro-2h-1_2_4-benzothiadiazine-7-sulfonamide_1_1-dioxide
7216	297	0	40	True	articaine
7308	297	0	0	True	gadoteric_acid
8840	297	0	0	False	zoliflodacin
9121	297	0	0	True	terpin_hydrate
9375	297	0	0	False	cefcapene
9716	297	0	0	False	copper_usnate
9913	297	0	0	False	7-aminodesacetoxycephalosporanic_acid
10446	297	0	0	False	norbixin
10811	297	0	0	False	norbuprenorphine
11779	297	0	0	False	hydroxynorbuprenorphine
12485	297	0	0	False	m1_(bioallethrin)
198	298	39	89	True	mitomycin
428	298	63	124	True	fluorouracil
1184	298	0	131	True	iohexol
1221	298	3	77	True	cefpodoxime
3415	298	0	0	False	(3r_5r)-7-((1r_2r_6s_8r_8as)-2_6-dimethyl-8-{[(2r)-2-methylbutanoyl]oxy}-1_2_6_7_8_8a-hexahydronaphthalen-1-yl)-3_5-dihydroxyheptanoic_acid
5075	298	0	0	False	bafilomycin_b1
5287	298	0	0	False	1_1'-hexane-1_6-diylbis(1h-imidazole)
5703	298	0	0	False	(2s)-2-amino-1-(5-tert-butyl-1_3_4-oxadiazol-2-yl)propan-1-one
6647	298	0	0	False	(2r)-2-[(1r)-1-{[(2z)-2-(2-amino-1_3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylene-5_6-dihydro-2h-1_3-thiazine-4-carboxylic_acid
7429	298	28	32	True	ubidecarenone
7461	298	2	0	False	solithromycin
7751	298	8	0	True	moxidectin
8197	298	15	0	False	triptolide
9458	298	0	0	False	carumonam
9537	298	14	0	False	cefbuperazone
11024	298	0	0	False	5-fluorouracil
11983	298	0	0	False	fluorouracil
12570	298	0	0	False	etoperidone_m16
121	299	29	28	True	lovastatin
472	299	0	0	True	fluticasone_propionate
554	299	12	38	True	cefixime
1150	299	0	9	True	oxtriphylline
1395	299	1	0	True	pivmecillinam
1688	299	0	0	False	carboxymycobactin_s
2355	299	3	0	False	fumagillin
3421	299	0	0	False	5-amino-1h-pyrimidine-2_4-dione
3748	299	0	0	False	2_4-dinitro_5-[bis(2-bromoethyl)amino]-n-(2'_3'-dioxopropyl)benzamide
3884	299	0	0	False	2-bromo-6-hydroxy-purine
5322	299	0	0	False	2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-n-methylhydrazinecarbothioamide
6506	299	0	0	False	1-(1-hydroxy-2_2_6_6-tetramethylpiperidin-4-yl)pyrrolidine-2_5-dione
7128	299	7	100	True	dimethyl_fumarate
7330	299	0	115	True	iopromide
7532	299	0	0	True	iotrolan
8782	299	0	0	False	dtp-348
9004	299	1	0	False	dimiracetam
10160	299	0	0	False	tenivastatin
10970	299	0	0	False	27-o-demethylrifabutin
10974	299	0	0	False	simvastatin_hydroxy_acid
11615	299	0	0	False	alcophosphamide
11893	299	0	0	False	diethylaminoethanol
12492	299	0	0	False	m8_(bioallethrin)
12527	299	0	0	False	monohydroxy_metabolite_of_moxidectin_at_the_c14
12633	299	0	0	False	topiramate_m2
12658	299	0	0	False	morphine_ethereal_sulfate
13162	299	0	0	False	4_5-desisopropylidene_topiramate
130	300	3	14	True	pipobroman
276	300	0	9	True	valrubicin
449	300	2	45	True	cisatracurium
525	300	79	127	True	simvastatin
541	300	19	0	True	mecamylamine
612	300	0	0	True	atracurium_besylate
934	300	0	50	True	cefditoren
1069	300	0	176	True	levetiracetam
1163	300	2	1	True	ceftizoxime
1269	300	0	0	False	acetorphine
1689	300	0	0	False	duroquinone
3759	300	0	0	False	threonine_derivative
3968	300	0	0	False	13-acetylphorbol
4082	300	0	0	False	camphane
4089	300	0	0	False	n-methylnaloxonium
4477	300	0	0	False	rifalazil
4519	300	0	0	False	mb-07803
4740	300	10	0	False	bardoxolone_methyl
6889	300	6	0	False	tnp-470
7463	300	0	0	True	ioxaglic_acid
7793	300	1	0	True	nalorphine
8012	300	0	0	False	dexmecamylamine
8063	300	0	0	False	etiracetam
8537	300	0	0	False	verdiperstat
9214	300	0	0	False	aluminium_acetoacetate
9639	300	10	0	False	obidoxime
10460	300	0	0	False	seliforant
10775	300	0	0	False	9-alpha_10-alpha-epoxyhexahydrocannabinol
12279	300	0	0	False	p-menthane-3_-8-diol
12493	300	0	0	False	m9_(bioallethrin)
12580	300	0	0	False	etoperidone_m13
499	301	3	50	True	rifabutin
1178	301	0	0	True	butobarbital
1643	301	0	0	False	tropinone
2125	301	0	0	False	3-hydroxymethyl-5-aziridinyl-1methyl-2-[1h-indole-4_7-dione]-propanol
2212	301	0	0	False	1-(2-ethanone)-2-hydroxy-2-(1-amino-2-methyl-2-ethanol)-4-(2-dimethyl)ethane-imidazoline-5-one;chromophore_(thr-leu-gly)
2408	301	0	0	False	4-oxoretinol
2528	301	0	0	False	siroheme
2838	301	0	0	False	2-oxopropyl-com
3084	301	0	0	False	1_3-thiazole-4-carboxylic_acid
3397	301	0	0	True	propanoic_acid
3453	301	0	0	False	5_6-diaminouracil
3825	301	0	0	False	cgp_4832
4217	301	0	0	False	dibromothymoquinone
4518	301	0	0	False	cannabinor
4532	301	2	0	True	trabectedin
4538	301	0	0	False	tanespimycin
4601	301	1	0	False	gallium_maltolate
7253	301	0	0	False	cefminox
7508	301	0	44	True	isosorbide
9245	301	0	0	False	propenidazole
9623	301	0	0	False	nifurtoinol
10216	301	0	0	False	lumicitabine
10466	301	0	0	False	dithiopyr
10673	301	0	0	True	ferric_maltol
10764	301	0	0	False	epoxy-hexobarbital
11028	301	0	0	False	5_6-epoxyretinoic_acid
11279	301	0	0	False	31-hydroxy_rifabutin
12427	301	0	0	False	propanoic_acid
12679	301	0	0	False	6-beta-oh-mf
382	302	20	79	True	cefotaxime
1332	302	0	0	False	1-piperidinocyclohexanecarbonitrile
1600	302	0	0	False	2_3_5_6-tetrafluoro-4-methoxy-benzamide
2774	302	0	0	False	3_5-dihydro-5-methylidene-4h-imidazol-4-on
3095	302	0	0	False	3[n-morpholino]propane_sulfonic_acid
3224	302	0	0	False	pyruvamide
3542	302	0	0	False	ethyl-carbamic_acid_methyl_ester
3627	302	0	0	False	dimethyl_propionate_ester_heme
3739	302	0	0	False	5-nitroso-6-ribityl-amino-2_4(1h_3h)-pyrimidinedione
3830	302	0	0	False	n-methyldehydrobutyrine
4863	302	0	0	False	lx-2931
4985	302	0	0	False	brostallicin
5150	302	1	0	True	viomycin
6853	302	0	0	False	tert-butyl_2-cyano-2-methylhydrazinecarboxylate
6913	302	0	0	False	ethyl_hydrogen_diethylamidophosphate
7818	302	10	0	True	salinomycin
8297	302	0	0	False	bms-275183
8474	302	0	0	False	perzinfotel
8739	302	0	0	False	pha-793887
9049	302	6	0	False	nimustine
9087	302	0	0	False	chromanol
9348	302	0	0	False	mebutizide
10254	302	0	0	True	cefiderocol
10319	302	0	0	False	padsevonil
10356	302	0	0	False	tp-271
11884	302	0	0	False	2-mercaptopropionic_acid
12026	302	0	0	False	3alpha-hydroxy-1_8-cineole
12197	302	0	0	False	6'-beta-hydroxysimvastatin
12714	302	0	0	False	n-isopropylnortropine-ester_methobromide
475	303	3	0	True	fluocinolone_acetonide
490	303	1	0	True	cyclothiazide
967	303	11	28	True	flucytosine
1465	303	0	0	False	benzene_hexacarboxylic_acid
1876	303	0	0	False	(2s_3s)-trans-2_3-dihydro-3-hydroxyanthranilic_acid
2883	303	0	0	True	oteracil
2946	303	0	0	False	cysteinamide
4564	303	5	0	False	oxypurinol
4915	303	11	0	False	dexanabinol
5424	303	0	0	False	4-(dimethylamino)butyl_imidothiocarbamate
7432	303	1	0	False	doxofylline
7523	303	4	35	True	glycerin
9043	303	8	0	True	parthenolide
9474	303	0	0	False	emylcamate
9674	303	0	0	False	magnesium_orotate
9938	303	0	0	False	loxicodegol
10456	303	0	0	False	25-desacetylrifapentine
10846	303	0	0	False	napqi
10997	303	0	0	False	oxypurinol
10998	303	0	0	False	5-hydroxypyrazinamide
11027	303	0	0	False	18-hydroxyretinoic_acid
11517	303	0	0	False	hydroxyethyl_glycine
11626	303	0	0	False	trabectedin_metabolite_m8b_(et-729)
11627	303	0	0	False	trabectedin_metabolite_m9
12487	303	0	0	False	m3_(bioallethrin)
13125	303	0	0	False	5-fluorocytosine
1945	304	0	0	False	1_3-dedimethyl-1_3-divinyl_heme
2514	304	0	0	False	5-exo-hydroxycamphor
2734	304	0	0	False	tetrahydrofuran-2-carboxylic_acid
2906	304	0	0	False	2-[(2e_6e_10e_14e_18e_22e_26e)-3_7_11_15_19_23_27_31-octamethyldotriaconta-2_6_10_14_18_22_26_30-octaenyl]phenol
3691	304	0	0	False	hypoxanthine
5135	304	2	17	True	plerixafor
7126	304	0	0	True	fluticasone_furoate
7281	304	0	0	True	xanthinol
8449	304	0	0	True	eravacycline
8593	304	0	0	False	e7107
8692	304	0	0	False	isopentyl_2-cyanoacrylate
8786	304	0	0	False	gsk-690693
9107	304	0	0	False	pm-060184
9228	304	0	0	False	epicillin
9389	304	0	0	False	furazidin
9413	304	0	0	False	cefetamet
9422	304	0	0	False	tribromometacresol
10655	304	0	0	False	padeliporfin
11037	304	0	0	False	6-oxo-famciclovir
11431	304	0	0	False	n-(2-hydroxyethyl)-morpholine
11636	304	0	0	False	ortho-quinone
12263	304	0	0	False	8-hydroxycamphor
12522	304	0	0	False	5-exo-hydroxyfenchone
12782	304	0	0	False	triol_pravastatin
12983	304	0	0	False	2_3_6_triaminopyridine
13082	304	0	0	False	hydroxyanastrozole
265	305	16	99	True	timolol
915	305	53	145	True	rifampicin
1071	305	36	121	True	mitoxantrone
2156	305	0	0	False	carboxyatractyloside
3081	305	2	14	False	uracil
3588	305	0	0	False	(7r)-7-(6_7-dihydro-5h-cyclopenta[d]imidazo[2_1-b][1_3]thiazol-2-yl)-2_7-dihydro-1_4-thiazepine-3_6-dicarboxylic_acid
3642	305	0	0	False	pseudotropine
3761	305	0	0	False	2-amino-3-(3-hydroxy-7_8-dihydro-6h-cyclohepta[d]-4-isoxazolyl)propionic_acid
3990	305	0	0	False	l-erythro-7_8-dihydrobiopterin
4015	305	0	0	False	4-epi-vancosaminyl_derivative_of_vancomycin
4442	305	3	15	True	vildagliptin
4491	305	0	0	False	troxacitabine
4857	305	14	63	True	temsirolimus
5654	305	0	0	False	(3s)-3-hydroxy-1-methyl-2_3-dihydro-1h-indole-5_6-dione
5706	305	0	0	False	aurovertin_b
6105	305	0	0	False	gibberellic_acid
7311	305	0	0	True	ioxilan
7494	305	0	0	True	propyliodone
8064	305	4	0	False	valspodar
8115	305	0	0	False	lodenafil_carbonate
8192	305	0	0	False	tesetaxel
8258	305	0	0	True	mannitol_busulfan
8729	305	0	0	False	lurbinectedin
8799	305	0	0	False	rabacfosadine
8947	305	1	7	True	terizidone
9318	305	6	0	False	terguride
9493	305	0	0	False	etamiphylline
9545	305	2	0	False	alcuronium
9564	305	1	0	False	ipidacrine
9823	305	0	0	False	epitizide
10635	305	0	0	False	umirolimus
11180	305	0	0	False	5-acetylamino-6-formylamino-3-methyluracil
11705	305	0	0	False	hexobarbital_dihydrodiol_derivative
11965	305	0	0	False	ad12_(scopolamine_butylbromide)
12312	305	0	0	False	nornalmefene_3-o-sulfate
425	306	98	176	True	vincristine
730	306	19	215	True	temozolomide
917	306	3	32	True	fluocinonide
1164	306	3	19	True	cefradine
1219	306	0	0	True	cefacetrile
1554	306	0	0	False	8-aminotheophylline
1714	306	0	0	False	1_4-butanediol
2032	306	0	0	False	isoamyl_alcohol
2638	306	0	0	False	2-acetyl-protoporphyrin_ix
2779	306	0	0	False	5-amino_6-nitro_uracil
2811	306	0	0	False	[2(formyl-hydroxy-amino)-ethyl]-phosphonic_acid
2839	306	0	0	False	6-amino-1-methyl-7h-purin-1-ium
3111	306	0	0	False	1-alpha__25-dihydroxyl-20-epi-22-oxa-24__26__27-trihomovitamin_d3
3423	306	0	0	False	trifluoroalanine
3584	306	0	0	False	4-hydroxy-aconitate_ion
4225	306	0	0	False	4-piperidin-4-ylbutanal
4506	306	0	0	True	ingenol_mebutate
4895	306	16	9	True	telavancin
5395	306	0	0	False	(r)-1-(4-(4-(hydroxymethyl)-1_3_2-dioxaborolan-2-yl)phenyl)guanidine
6113	306	0	0	False	(2s)-2-[(3ar_4r_7s_7as)-1_3-dioxooctahydro-2h-4_7-methanoisoindol-2-yl]propanoic_acid
7018	306	0	0	False	n-(3-methylbut-2-en-1-yl)-9h-purin-6-amine
7779	306	0	0	True	tiamulin
7880	306	0	0	False	lersivirine
8152	306	0	0	False	burixafor
8231	306	0	0	False	radalbuvir
8293	306	2	0	False	alisporivir
9486	306	0	0	False	gallamine
9532	306	0	0	False	protiofate
9560	306	0	0	False	formocortal
9690	306	2	0	False	epomediol
9693	306	0	0	False	reposal
10067	306	0	0	True	ursadiol
10502	306	0	0	False	cb-1158
10893	306	0	0	False	4-hydroxyretinoic_acid
11128	306	0	0	False	1-methyluric_acid
11343	306	0	0	False	aminofurantoin
11391	306	0	0	False	alpha-fluoro-beta-alanine
12424	306	0	0	False	fbal
12528	306	0	0	False	monohydroxy_metabolite_of_moxidectin_at_c29
12852	306	0	0	False	4-hydroxy-all-trans-retinoic_acid
12855	306	0	0	False	4-hydroxy-13-cis-retinoic_acid
326	307	36	0	True	allopurinol
413	307	18	69	True	foscarnet
964	307	2	0	True	oxamniquine
1068	307	0	6	True	rifapentine
1814	307	0	0	False	cyclohexanone
1862	307	0	0	False	hadacidin
2378	307	0	0	False	1-butane_boronic_acid
2499	307	0	0	False	2_3-anhydro-quinic_acid
2612	307	0	0	False	zn(ii)-(20-oxo-protoporphyrin_ix)
2898	307	0	0	False	2-formyl-protoporphryn_ix
3770	307	0	0	False	5-nitro-6-ribityl-amino-2_4(1h_3h)-pyrimidinedione
4203	307	0	0	False	atpenin_a5
5231	307	0	0	False	undeca-3_7-diene-1_3_7_11-tetracarbaldehyde
6859	307	0	0	False	5-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6_7_8_9-tetrahydro-2h-2_7_9a-triaza-benzo[cd]azulene-1-thione
7083	307	14	7	True	acetylcarnitine
7332	307	0	0	True	trypan_blue_free_acid
7860	307	0	0	True	gestrinone
7914	307	0	0	False	2-chloroethyl-3-sarcosinamide-1-nitrosourea
8458	307	3	0	True	temocillin
8509	307	0	0	False	lisofylline
9460	307	4	0	False	prajmaline
9563	307	0	0	False	cefozopran
9742	307	0	0	False	fluclorolone
9870	307	0	0	False	valinomycin
10121	307	0	0	False	clocortolone_caproate
10306	307	0	0	False	pf-04634817
11229	307	0	0	False	n-trifluoroacetyladriamycinol
11709	307	0	0	False	8_11-dihydroxy-delta-9-thc
11942	307	0	0	False	inositol_pentanicotinate
12331	307	0	0	False	taurocholate
12451	307	0	0	False	cmbhc
12592	307	0	0	False	prucalopride_n-oxide
12668	307	0	0	False	alpha-caboxymethylbutylhydroxychromanol
44	308	6	13	True	creatine
118	308	1	6	True	diflorasone
284	308	24	0	True	beclomethasone_dipropionate
547	308	0	0	True	flumethasone
1089	308	20	106	True	budesonide
1523	308	0	0	True	camphor
1683	308	0	0	False	xylose-derived_lactam_oxime
1836	308	0	0	False	n_n-dimethylglycine
1864	308	0	0	False	3-hydroxyisoxazole-4-carboxylic_acid
1907	308	0	0	False	(2s_3s_4r_5s)-2-(4-amino-4_5-dihydro-1h-pyrrolo[3_2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]-3_4-pyrrolidinediol
2011	308	0	0	False	2_6-dimethyl-7-octen-2-ol
2253	308	0	0	False	5-n-acetyl-4-amino-6-diethylcarboxamide-4_5-dihydro-2h-pyran-2-carboxylic_acid
3295	308	0	0	False	s_s-propylthiocysteine
3460	308	0	0	False	2-prolyl-5-tert-butyl-[1_3_4]oxadiazole
3479	308	0	0	False	reactive_red_6_hapten
3504	308	0	0	False	(2s_3r_4s_5s)-3_4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4_5-dihydro-1h-pyrrolo[3_2-d]pyrimidin-7-yl)pyrrolidinium
3659	308	0	0	False	carboxymycobactin_t
4017	308	0	0	False	verpacamide_a
4722	308	0	0	False	kos-1584
4789	308	2	15	True	romidepsin
5074	308	2	0	False	bafilomycin_a1
5822	308	0	0	False	1-(2-{[(6-amino-2-methylpyridin-3-yl)methyl]amino}ethyl)-6-chloro-3-[(2_2-difluoro-2-pyridin-2-ylethyl)amino]-1_4-dihydropyrazin-2-ol
7030	308	0	0	False	1-[(2s)-4-(5-bromo-1h-pyrazolo[3_4-b]pyridin-4-yl)morpholin-2-yl]methanamine
7282	308	1	0	True	chlortetracycline
7695	308	0	0	False	(s)-camphor
7703	308	0	0	False	cefroxadine
8548	308	0	0	False	scy-635
8910	308	0	0	False	ly-2334737
9002	308	2	0	False	hypericin
9009	308	0	0	False	ipi-493
9548	308	0	0	False	lorajmine
9641	308	0	0	False	tetramethrin
9944	308	0	7	True	synthetic_camphor
10702	308	0	0	False	thalidomide_arene_oxide
11039	308	0	0	False	3-oxobrimonidine
11182	308	0	0	False	dopamine_quinone
11311	308	0	0	False	6-beta-hydroxy-mometasone_furoate
11366	308	0	0	False	deoxyartemsinin
11998	308	0	0	False	(-)-thalidomide_arene_oxide
12304	308	0	0	False	6-(hydroxymethyl)uracil
12310	308	0	0	False	nornalmefene
12742	308	0	0	False	sitagliptin_m4_metabolite
13042	308	0	0	False	monodeethylmetoclopramide
207	309	3	14	True	capreomycin
697	309	39	88	True	acetazolamide
754	309	60	132	True	sirolimus
797	309	19	145	True	buprenorphine
868	309	46	148	True	gabapentin
1341	309	0	0	True	diprenorphine
1381	309	15	269	True	everolimus
1988	309	0	0	False	2-ethoxyethanol
2284	309	0	0	False	quinonoid_7_8-tetrahydrobiopterin
2552	309	0	0	False	methyl-carbamic_acid_ethyl_ester
2664	309	0	0	False	ge-2270a
2885	309	0	0	False	(3-formyl-but-3-enyl)-phosphonic_acid
3540	309	0	0	False	n-ethyl_retinamide
3851	309	0	0	False	zinc_substituted_heme_c
4466	309	1	0	True	oritavancin
4904	309	0	0	False	cethromycin
8213	309	0	0	False	mericitabine
8255	309	0	0	False	semapimod
9061	309	1	0	False	pyritinol
9621	309	0	0	False	halometasone
9948	309	0	0	True	dipentamethylenethiuram_disulfide
10504	309	0	0	False	etamicastat
11195	309	0	0	False	sirolimus
11256	309	0	0	False	25-o-desacetyl_rifabutin
12198	309	0	0	False	3'__5'-dihydrodiol
12447	309	0	0	False	13'-carboxychromanol
12656	309	0	0	False	13'-carboxy-alpha-tocopherol
12681	309	0	0	False	21-chloro-17-alpha-hydroxy-16-alpha-methyl-9-beta_11beta-oxidopregna-1_4-diene-3_20-dione_17-(2-furoate)
142	310	12	178	True	cabergoline
652	310	1	48	True	malathion
703	310	0	79	True	levomenthol
1538	310	0	0	False	2-methoxy-3-isopropylpyrazine
1873	310	0	0	False	butyramide
1956	310	0	0	False	6_7-dioxo-5h-8-ribitylaminolumazine
2214	310	0	0	False	(diaminomethyl-methyl-amino)-acetic_acid
2626	310	0	0	False	diglyme
2865	310	0	0	False	3-oxiran-2ylalanine
3079	310	0	0	False	1-(4-tert-butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic_acid
3303	310	0	0	False	1-[(2-amino-6_9-dihydro-1h-purin-6-yl)oxy]-3-methyl-2-butanol
3372	310	0	0	False	3-hydroxyimino_quinic_acid
3749	310	0	0	False	6-hydroxypropylthymine
4257	310	2	0	False	methylecgonine
4636	310	2	0	False	managlinat_dialanetil
4826	310	0	0	False	ridaforolimus
6273	310	0	0	False	2-[3-(5-mercapto-[1_3_4]thiadiazol-2yl)-ureido]-n-methyl-3-pentafluorophenyl-propionamide
6342	310	9	0	False	wortmannin
6544	310	0	0	False	methyl_[(1e_5r)-5-{3-[(2e_4e)-2_5-dimethyl-2_4-octadienoyl]-2_4-dioxo-3_4-dihydro-2h-pyran-6-yl}hexylidene]carbamate
6993	310	0	0	False	1_3-cyclohexanediol__4-methylene-5-[(2e)-[(1s_3as_7as)-octahydro-1-(5-hydroxy-5-methyl-1_3-hexadiynyl)-7a-methyl-4h-inden-4-ylidene]ethylidene]-__(1r_3s_5z)
7150	310	0	0	False	letosteine
7694	310	0	0	False	(+)-menthol
8451	310	0	0	False	milataxel
8842	310	0	0	False	gsi-136
9644	310	0	0	False	iocarmic_acid
10132	310	0	0	False	difluocortolone_pivalate
10191	310	0	0	False	pf-06459988
11215	310	0	0	False	normorphine
11845	310	0	0	False	16-hydroxy-desogestrel
11943	310	0	0	False	inositol_tetranicotinate
12148	310	0	0	False	lisofylline_4_5-diol
12150	310	0	0	False	6'beta-hydroxylovastatin
12717	310	0	0	False	acid_metabolite_of_fluticasone_furoate
60	311	39	60	True	pyridoxine
97	311	7	45	True	succinylcholine
180	311	4	84	True	travoprost
342	311	0	0	False	clomocycline
871	311	25	94	True	hydrochlorothiazide
1087	311	1	35	True	rifaximin
1537	311	0	0	False	kojic_acid
1881	311	0	0	False	dihydroorotic_acid
2639	311	0	0	False	hymenialdisine
2769	311	1	0	True	pidolic_acid
4431	311	2	7	True	omacetaxine_mepesuccinate
5112	311	0	36	True	difluprednate
5190	311	0	0	False	17-hydroxy-18a-homo-19-nor-17alpha-pregna-4_9_11-trien-3-one
7554	311	0	0	True	sodium_glycerophosphate
7605	311	1	12	True	pyrantel
7690	311	1	0	False	zeatin
8073	311	0	0	False	filibuvir
8204	311	0	0	True	sarecycline
8406	311	0	0	False	obp-801
8514	311	0	0	False	gemigliptin
8550	311	0	0	False	zalypsis
8850	311	1	0	False	prednimustine
9666	311	0	0	False	cefazedone
10646	311	0	0	False	magnesium_malate
11045	311	0	0	False	6-beta-hydroxybudesonide
11179	311	0	0	False	1_7-dimethyluric_acid
11376	311	0	0	False	difluoroprednisolone_butyrate
12204	311	0	0	False	25-oh-sirolimus
12299	311	0	0	False	2-[(5-chloro-2_1_3-benzothiadiazol-4-yl)amino]-4_5-dihydro-1h-imidazol-4-ol
12365	311	0	0	False	sulfate_of_deacetyl-thymoxamine
12452	311	0	0	False	cehc
12603	311	0	0	False	cyclosporine_m-1_(am-9)
12657	311	0	0	False	alpha_carboxyethyl_hydroxychromans_(alpha-cehc)
12669	311	0	0	False	alpha-carboxyethylhydroxychromanol
12688	311	0	0	False	21-beta-chloro-21-alpha-hydroxy-16-alpha-methyl-9-beta_11-beta-oxidopregna-1_4_17_20-tetraen-3-one_21-(2-furoate
13115	311	0	0	False	17α_21-dihydroxy-pregnan-1_4_6-trien-3_11_30-trione_(m-xvii)
13176	311	0	0	False	methylprednisolone_m5_metabolite
13177	311	0	0	False	methylprednisolone_m6_metabolite
96	312	50	70	True	caffeine
222	312	19	122	True	ethambutol
613	312	8	3	True	pralidoxime
945	312	2	20	True	etidronic_acid
2902	312	0	0	False	5-[bis-2(chloro-ethyl)-amino]-2_4-dintro-benzamide
3158	312	0	0	False	4-acetyl-4-guanidino-6-methyl(propyl)carboxamide-4_5-dihydro-2h-pyran-2-carboxylic_acid
3779	312	0	0	False	d-isovaline
3852	312	0	0	False	butyrylthiocholine
3946	312	0	0	False	argadin
4092	312	0	0	False	2-isobutyl-3-methoxypyrazine
4574	312	1	0	False	eldecalcitol
5037	312	1	0	False	mevastatin
5057	312	0	0	True	norelgestromin
5071	312	1	13	False	gestodene
5093	312	1	4	True	triclofos
6782	312	0	0	False	(21s)-1aza-4_4-dimethyl-6_19-dioxa-2_3_7_20-tetraoxobicyclo[19.4.0]_pentacosane
7729	312	0	0	True	emodepside
8116	312	0	0	False	vaniprevir
8393	312	1	0	False	begacestat
8539	312	6	0	False	alvespimycin
8560	312	0	0	False	favipiravir
8630	312	0	27	False	fluocinolone
8811	312	0	0	False	rivipansel
9001	312	0	0	False	lff-571
9068	312	0	1	False	meclocycline
9221	312	0	0	False	rimazolium
9628	312	0	0	False	cyclobarbital
9762	312	0	0	True	glecaprevir
9826	312	0	0	False	azintamide
9875	312	0	0	False	concanamycin_a
10917	312	0	0	False	1_3-dimethyluric_acid
10946	312	0	0	False	cyclosporine_m-17_(am-1)
11103	312	0	0	False	caffeine
11115	312	0	0	False	1_9-dimethyluric_acid
11703	312	0	0	False	3'-oxohexobarbital
11843	312	0	0	False	6-alpha-hydroxydesogestrel
11844	312	0	0	False	6-beta-hydroxydesogestrel
11847	312	0	0	False	15-alpha-hydroxydesogestrel
7	313	63	603	True	cyclosporine
289	313	24	934	True	zoledronic_acid
1505	313	0	0	False	reduced_threonine
1758	313	0	0	False	5_10_15_20-tetrakis(4-sulpfonatophenyl)-21h_23h-porphine
2386	313	0	0	False	4-(2-oxo-hexahydro-thieno[3_4-d]imidazol-4-yl)-butyricacid
3706	313	0	0	False	4-hydroxy-2-butanone
4231	313	2	0	False	choline_alfoscerate
4664	313	0	0	False	retaspimycin
6638	313	0	0	False	3-({3-[(1s_4as_6s_7s_9s_9ar)-1_6-dimethyl-2-oxodecahydro-6_9-epoxy-4a_7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2_4-dihydroxybenzoic_acid
7062	313	1	97	True	ticagrelor
7157	313	0	0	True	iopanoic_acid
7179	313	0	0	False	fluprednidene
7279	313	0	17	True	pinaverium
7442	313	0	0	False	trapidil
7484	313	0	0	True	metrizoic_acid
7857	313	9	29	False	pirarubicin
7918	313	0	0	False	voclosporin
7973	313	0	0	True	tenapanor
8336	313	1	0	False	ajulemic_acid
8688	313	0	0	False	evogliptin
9048	313	1	0	False	9-(n-methyl-l-isoleucine)-cyclosporin_a
9442	313	0	0	False	gitoformate
9932	313	0	0	False	(-)-menthol_1-propylene_glycol_carbonate
10102	313	0	0	False	fluprednidene_acetate
10296	313	0	0	False	aspartyl-alanyl-diketopiperazine
10515	313	0	0	False	2-fluorofucose
11062	313	0	0	False	hypoxanthine
11109	313	0	0	False	3-methyluric_acid
12019	313	0	0	False	3'-oh-(s)-hexobarbital
12323	313	0	0	False	defluorinated_and_gutathione_conjugated_form_of_dolutegravir_(m4.1)
12324	313	0	0	False	defluorinated_and_gutathione_conjugated_form_of_dolutegravir_(m4.2)
12326	313	0	0	False	triazole_propionic_acid
12366	313	0	0	False	sulfate_of_deacetyl-demethyl-thymoxamine
12769	313	0	0	False	aripiprazole_unnamed_metabolite_3
13049	313	0	0	False	levetiracetam_carboxylic_acid_metabolite_(l057)
126	314	1	0	True	methyclothiazide
197	314	4	52	True	desogestrel
202	314	38	27	True	vindesine
229	314	10	138	True	pimecrolimus
399	314	52	178	True	vancomycin
454	314	27	50	True	vinblastine
480	314	0	8	True	ulobetasol
498	314	6	0	True	furazolidone
535	314	1	4	True	dyphylline
979	314	10	195	True	cefuroxime
1075	314	4	8	True	sparfloxacin
1280	314	0	0	False	cyprenorphine
1520	314	0	0	False	4-butyl-5-propyl-1_3-selenazol-2-amine
1660	314	2	0	False	hyperforin
2169	314	0	0	False	2-butyl-5_6-dihydro-1h-imidazo[4_5-d]pyridazine-4_7-dione
2295	314	0	0	False	bv2
2559	314	0	0	False	biliverdin_ix_gamma_chromophore
2987	314	0	0	False	ferroheme_c
3080	314	0	0	False	diacetyldeuteroheme
3254	314	0	0	False	l-2-amino-4-methoxy-cis-but-3-enoic_acid
3724	314	0	0	False	n-formylpiperidine
3872	314	0	0	False	3_5-dimethyl-1h-pyrazole-4-carboxylic_acid_ethyl_ester
4109	314	0	0	False	desvancosaminyl_vancomycin
4739	314	2	0	False	transcrocetinate
4806	314	0	0	False	tedisamil
5316	314	0	0	False	[(5r)-5-(2_3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1_3-thiazolidin-3-yl]acetic_acid
6609	314	0	0	False	2-methyl-2-propanyl_[(1r)-2-methyl-1-(1_3_4-oxadiazol-2-yl)propyl]carbamate
6610	314	0	0	False	2-methyl-2-propanyl_[(1s)-2-methyl-1-(1_3_4-oxadiazol-2-yl)propyl]carbamate
6733	314	0	0	False	6-(2_3_4_5_6_7-hexahydro-2_4_4-trimethyl-1-metyleneinden-2-yl)-3-methylhexa-2_4-dienoic_acid
7104	314	0	17	True	fidaxomicin
7248	314	2	16	True	acipimox
7750	314	1	0	True	monensin
7897	314	1	0	False	ortataxel
8609	314	0	0	False	sofinicline
9632	314	0	0	False	ioglycamic_acid
10567	314	0	0	False	simotaxel
10643	314	0	0	False	leptazoline_b
10770	314	0	0	False	11-hydroxy-delta-9-thc
11285	314	0	0	False	4-carboxypyrazole
11796	314	0	0	False	4-quinol_sulfate
11846	314	0	0	False	desogestrel-17-sulfate
12025	314	0	0	False	2alpha-hydroxy-1_8-cineole
12203	314	0	0	False	11-oh-sirolimus
12236	314	0	0	False	11-oh-delata-tetrahydrocannabinol
12449	314	0	0	False	cdmohc
12450	314	0	0	False	cdmhhc
12472	314	0	0	False	11-hydroxy-thc
12666	314	0	0	False	alpha-carboxydimethyloctenylhydroxychromanol
12667	314	0	0	False	alpha-carboxydimethylhexylhydroxychromanol
13021	314	0	0	False	6-beta-hydroxy-triamcinolone
327	315	21	80	True	ceftazidime
810	315	3	56	True	oxymetazoline
889	315	74	192	True	minocycline
1053	315	17	99	True	pergolide
1070	315	12	51	True	nadolol
1084	315	7	307	True	anastrozole
1132	315	6	152	True	varenicline
1155	315	2	0	True	polythiazide
2134	315	0	0	False	1-deoxy-1-thio-heptaethylene_glycol
2490	315	0	0	False	deglucobalhimycin
2650	315	0	0	False	rhamnose
3126	315	0	0	False	heme_d
4575	315	0	0	False	motexafin_lutetium
4607	315	0	0	False	motexafin_gadolinium
5083	315	3	32	True	ambroxol
7261	315	0	0	True	tasimelteon
7477	315	0	0	True	iopodic_acid
7671	315	0	0	False	borneol
7851	315	0	0	True	hydroxyethyl_cellulose
8180	315	0	0	False	nirogacestat
8665	315	0	0	False	azd-9056
8726	315	1	0	False	beloranib
9103	315	4	0	False	artemisinin
9110	315	0	0	False	ambroxol_acefyllinate
9471	315	0	0	False	diodone
9590	315	0	0	False	penthienate
10130	315	0	0	False	flunisolide_acetate
10471	315	0	0	False	fucose
10572	315	3	0	False	gamma-tocopherol
10975	315	0	0	False	41-o-demethylrapamycin
10982	315	0	0	False	desacetylvinblastine
10985	315	0	0	False	2-sulfamoylacetylphenol
11134	315	0	0	False	7_9-dimethyluric_acid
11332	315	0	0	False	9-carboxymethoxymethylguanine
11420	315	0	0	False	malaoxon
12200	315	0	0	False	39-o-desmethylsirolimus
12322	315	0	0	False	hydrolized_form_of_dolutegravir_(m1)
12426	315	0	0	False	butanediol_mononitrate
12446	315	0	0	False	13'-hydroxychromanol
12652	315	0	0	False	etonogestrel_sulfate
12655	315	0	0	False	13'-hydroxy-alpha-tocopherol
13081	315	0	0	False	anastrozole_glucuronide_metabolite
13163	315	0	0	False	22-hydroxy_intermediate_metabolite_of_budesonide
42	316	5	18	True	calcifediol
43	316	1	28	False	pyridoxal
93	316	2	75	True	oseltamivir
375	316	2	13	True	nabilone
502	316	5	11	True	demeclocycline
580	316	10	44	True	tizanidine
885	316	0	0	True	clobetasol_propionate
1180	316	0	0	False	hexobarbital
1230	316	4	1	True	ajmaline
1266	316	1	0	False	ethylmorphine
1361	316	0	0	False	codeine-n-oxide
1397	316	5	2	True	ticarcillin
1863	316	0	0	False	protoporphyrin_ix_containing_co
2016	316	0	0	False	7_8-dihydro-7_7-dimethyl-6-hydroxypterin
2154	316	2	0	False	geldanamycin
2297	316	0	0	False	mesoheme
2338	316	0	0	False	latrunculin_a
2753	316	0	0	False	4-methylidene-5-one
2878	316	0	0	False	5-(aminomethyl)-2-methylpyrimidin-4-amine
2963	316	0	0	False	9-methyl_uric_acid
3058	316	0	0	False	heptaethylene_glycol
3121	316	0	0	False	thymine
3173	316	0	0	False	mevalonic_acid
3494	316	0	0	False	3-dehydroquinic_acid
3555	316	0	0	False	c-1027_aromatized_chromophore
4008	316	0	0	False	coproporphyrin_i_containing_co(iii)
5182	316	0	0	False	6-(2-hydroxy-cyclopentyl)-7-oxo-heptanamidine
6972	316	0	0	False	5-(5-(2_6-dichloro-4-(4_5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl_oxymethyleneoxymethyl)_isoxazole
7180	316	2	0	True	fluocortolone
7410	316	0	0	False	hydracarbazine
7509	316	0	0	True	iocetamic_acid
7727	316	2	0	True	doramectin
7872	316	1	0	False	artenimol
7901	316	4	0	False	pyridoxamine
8206	316	0	0	False	vedroprevir
8270	316	0	0	False	zuretinol_acetate
8329	316	0	0	False	exatecan
9184	316	0	0	True	pramiracetam
9470	316	0	0	False	desaspidin
9751	316	0	141	True	fluticasone
10142	316	0	0	True	estramustine_phosphate
10388	316	3	0	False	morinidazole
10590	316	0	0	False	ils-920
10648	316	0	0	False	24-homo-1_25-dihydroxyvitamin_d3
10763	316	0	0	False	3'-hydroxyhexobarbital
10771	316	0	0	False	7-beta-hydroxy-delta-9-thc
10772	316	0	0	False	7-alpha-hydroxy-delta-9-thc
10773	316	0	0	False	8-hydroxy-delta-9-thc
10774	316	0	0	False	8-beta-hydroxy-delta-9-thc
11020	316	0	0	False	dihydroartemisinin_(dha)
11046	316	0	0	False	buspirone_n-oxide
11110	316	0	0	False	9-methyluric_acid
11245	316	0	0	False	2-hydroxydesogestrel
11339	316	0	0	False	alpha-dihydroartemisinin
12202	316	0	0	False	12-oh-sirolimus
12237	316	0	0	False	7-oh-delta-9-tetrahydrocannabinol
12238	316	0	0	False	7alpha-oh-delta-9-tetrahydrocannabinol
12239	316	0	0	False	8-oh-delta-9-tetrahydrocannabinol
12240	316	0	0	False	8alpha-oh-delta-9-tetrahydrocannabinol
12747	316	0	0	False	20-hydroxyvitamin_d
187	317	1	167	True	etonogestrel
231	317	8	91	True	pyrazinamide
359	317	20	72	True	dronabinol
429	317	15	54	True	pyridostigmine
822	317	8	340	True	fulvestrant
1081	317	4	0	True	metipranolol
1454	317	0	0	False	virginiamycin_m1
1478	317	0	0	False	n-hydroxy-4-phosphono-butanamide
1563	317	0	0	False	1-amino-2_3-dihydroxy-5-hydroxymethyl_cyclohex-5-ene
1916	317	0	0	False	n_n-dimethyl-l-alanine
2089	317	0	0	False	4-imidazolmethylene-5-imidazolone_chromophore
2107	317	0	0	False	xylose-derived_imidazole
2216	317	0	0	False	ghavamiol
2485	317	0	0	False	2-anhydro-3-fluoro-quinic_acid
2684	317	0	0	False	cyclohexylammonium_ion
3594	317	0	0	False	phosphorylisopropane
3844	317	0	0	False	(1s)-1-c-{(2r)-6-[(2r)-2-butanyl]-5_10-dihydroxy-4-oxo-1_2_3_4-tetrahydro-2-anthracenyl}-5-deoxy-1-o-methyl-d-xylulose
3867	317	0	0	False	5-(6-d-ribitylamino-2_4-dihydroxypyrimidin-5-yl)-1-pentyl-phosphonic_acid
4119	317	0	0	False	(8ar)-hexahydropyrrolo[1_2-a]pyrazine-1_4-dione
6504	317	0	0	False	(1s_7s_8s_8ar)-1_2_3_7_8_8a-hexahydro-7-methyl-8-[2-[(2r_4r)-tetrahydro-4-hy_droxy-6-oxo-2h-pyran-2-yl]ethyl]-1-naphthalenol
7286	317	1	2	True	quinagolide
7811	317	0	0	True	maduramicin
8482	317	0	0	True	relebactam
9057	317	0	0	False	kosn-1724
9140	317	0	0	False	piprozolin
9364	317	2	0	False	proxyphylline
9444	317	0	0	False	iodoxamic_acid
9729	317	0	0	False	cloprednol
9737	317	1	0	True	artemotil
9839	317	1	0	False	nabiximols
10541	317	0	0	False	beta-hydroxyisovaleric_acid
11005	317	0	0	False	noroxymorphone
11189	317	0	0	False	3-ketodesogestrel
11191	317	0	0	False	pyridostigmine
11406	317	0	0	False	doxepin-n-oxide
12206	317	0	0	False	46-oh-sirolimus
12448	317	0	0	False	cdmdhc
12665	317	0	0	False	alpha-carboxydimethyldecadienylhydroxychromanol
13104	317	0	0	False	δ6-prednisolone_(m-xi)
13164	317	0	0	False	16alpha-butyrloxyprednisolone
13166	317	0	0	False	23-hydroxybudesonide
134	318	0	6	True	alclometasone
188	318	60	190	True	morphine
1050	318	86	169	True	naloxone
1142	318	3	12	True	pirbuterol
1526	318	0	0	False	coprogen
1624	318	0	0	False	bacteriochlorophyll_a
1690	318	0	0	False	2_4-dihydroxy-3_3-dimethyl-butyrate
1860	318	0	0	False	leucine_-_reduced_carbonyl
1897	318	1	0	False	butyl_alcohol
3073	318	0	0	False	2-hydroxymethyl-pyrrolidine-3_4-diol
3263	318	0	0	False	l-709_587
3455	318	0	0	False	ru78299
3702	318	0	0	False	al5300
4069	318	0	0	False	(6r_7r)-3-[(acetyloxy)methyl]-7-{[(6s)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
4715	318	0	0	False	ppi-2458
5828	318	0	0	False	(3z_6s)-6-chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2r)-2-piperidinyl]ethyl}imino)-2-piperazinol
6677	318	0	0	False	platensimycin
7617	318	2	0	True	rose_bengal
7706	318	0	0	True	altrenogest
8022	318	2	0	True	baricitinib
8709	318	0	0	False	bardoxolone
9025	318	0	0	False	odalasvir
9066	318	0	0	False	zidebactam
9200	318	0	0	True	hexobendine
9844	318	0	0	True	bromotheophylline
9853	318	0	0	False	tretamine
9869	318	0	0	False	nigericin
9929	318	0	0	False	8-chlorotheophylline
10906	318	0	0	False	morphine
10912	318	0	0	False	10-alpha-methoxy-9_10-dihydrolysergol
10948	318	0	0	False	6-beta-hydroxydexamethasone
11029	318	0	0	False	4-oxoretinoic_acid
12096	318	0	0	False	6-alpha-oh_dexamethasone
12097	318	0	0	False	6-beta-oh_dexamethasone
12205	318	0	0	False	24-oh-sirolimus
12578	318	0	0	False	etoperidone_m12
12689	318	0	0	False	9-alpha_21-beta-dichloro-11-beta_21-alpha-dihydroxy-16-alpha-methylpregna-1_4_17_20-tetraen-3-one_21-(2-furoate)
12853	318	0	0	False	4-oxo-all-trans-retinoic_acid
12854	318	0	0	False	4-oxo-13-cis-retinoic_acid
12876	318	0	0	False	m1_metabolite__tezacaftor
13171	318	0	0	False	methylprednisolone_m15_metabolite
13173	318	0	0	False	methylprednisolone_m9_metabolite
13174	318	0	0	False	methylprednisolone_m10_metabolite
253	319	22	173	True	vinorelbine
266	319	0	99	True	treprostinil
315	319	4	37	True	famciclovir
408	319	9	1	True	alitretinoin
592	319	4	17	True	diethylcarbamazine
635	319	82	49	True	tretinoin
716	319	0	2	True	clocortolone
855	319	22	431	True	isotretinoin
866	319	62	325	True	azathioprine
997	319	4	6	True	prednicarbate
1179	319	0	0	False	heptabarbital
1831	319	0	0	False	triglyme
1886	319	0	0	False	xanthine
1930	319	0	0	False	hybrid_between_b_and_c_type_hemes_(protoporphyrin_ixcontaining_fe)
1950	319	0	0	False	6-(1_1-dimethylallyl)-2-(1-hydroxy-1-methylethyl)-2_3-dihydro-7h-furo[3_2-g]chromen-7-one
2079	319	0	0	False	selenocysteine
2287	319	0	0	False	8-hydroxy-4-(1-hydroxyethyl)quinoline-2-carboxylic_acid
2300	319	0	0	False	pentaglyme
2974	319	0	0	False	7-deaza-7-aminomethyl-guanine
2990	319	0	0	False	3-amino-alanine
3879	319	0	0	False	2-[2-(2-cyclohexyl-2-guanidino-acetylamino)-acetylamino]-n-(3-mercapto-propyl)-propionamide
3943	319	0	0	False	3-dehydroshikimate
3975	319	0	0	False	l-valinol
4209	319	0	0	False	2_5-di-(tert-butyl)-1_4_benzohydroquinone
4593	319	3	0	False	cep-1347
4829	319	0	0	False	elvucitabine
5041	319	3	3	True	artemether
5126	319	0	0	True	mangafodipir
7390	319	6	0	False	polaprezinc
7482	319	0	0	True	tipiracil
7663	319	0	0	True	epicriptine
7731	319	0	0	True	eprinomectin
7874	319	1	0	True	vinflunine
8138	319	0	0	False	lomibuvir
8532	319	0	0	False	sch-900271
8563	319	0	0	False	dexelvucitabine
9161	319	0	0	False	fluocortin
9341	319	0	0	False	nicofuranose
9476	319	1	0	False	heptaminol
10120	319	0	0	False	clocortolone_acetate
10170	319	0	0	False	riboflavin_tetrabutyrate
10376	319	0	0	False	4-demethyl-4-cholesteryloxycarbonylpenclomedine
10397	319	0	0	False	vamorolone
11068	319	0	0	False	xanthine
11383	319	0	0	False	doxorubicin-semiquinone
11430	319	0	0	False	n-(2-carboxymethyl)-morpholine
11918	319	0	0	False	selenocysteine
12442	319	0	0	False	20'-hydroxyvinorelbine
12458	319	0	0	False	retinoic_acid
12533	319	0	0	False	5-(trifluoromethyl)_uracil
12574	319	0	0	False	etoperidone_m9
12851	319	0	0	False	all-trans-retinoic_acid
13181	319	0	0	False	methylprednisolone_m8_metabolite
150	320	1	24	True	lymecycline
263	320	7	43	True	meprobamate
750	320	0	74	True	loteprednol_etabonate
1461	320	0	0	False	trinitrotoluene
2147	320	0	0	False	2_4_6-tribromophenol
2455	320	0	0	False	glycocyamine
2637	320	0	0	False	fosmidomycin
2733	320	0	0	False	s-selanyl_cysteine
3832	320	0	0	False	9-amino-2-deoxy-2_3-dehydro-n-acetyl-neuraminic_acid
4033	320	0	0	False	4-methylpiperazin-1-yl_carbonyl_group
4397	320	0	0	False	buformin
4416	320	0	0	False	posizolid
4576	320	0	0	False	paclitaxel_docosahexaenoic_acid
4646	320	0	0	False	naronapride
4993	320	0	0	True	peramivir
5127	320	0	0	True	mebutamate
5180	320	0	0	False	n-allyl-5-amidinoaminooxy-propyloxy-3-chloro-n-cyclopentylbenzamide
5442	320	0	0	False	(2s)-1-(6h-indol-3-yl)-3-{[5-(7h-pyrazolo[3_4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine
6721	320	0	0	False	ro_12-7310
7792	320	0	0	True	dexamethasone_isonicotinate
8217	320	0	0	False	dasolampanel_etibutil
8240	320	0	0	False	censavudine
8495	320	0	0	False	sagopilone
8619	320	3	0	False	oltipraz
8685	320	8	0	False	lupeol
8866	320	0	0	False	apricitabine
9119	320	0	22	True	clobetasone
9137	320	0	0	False	technetium_tc-99m_etifenin
9199	320	0	0	False	penimepicycline
9373	320	0	0	False	pecilocin
9538	320	0	0	False	ferrous_tartrate
9573	320	0	0	False	carboquone
9600	320	0	0	True	sodium_tartrate
9677	320	0	0	False	aluminium_acetotartrate
9832	320	0	0	False	tetraglyme
10315	320	0	0	False	abrocitinib
10335	320	0	0	False	go-203-2c
10391	320	0	0	False	pf-06751979
10558	320	0	0	False	mk-2748
10585	320	0	0	False	otl-38
11112	320	0	0	False	3_7-dimethyluric_acid
11280	320	0	0	False	3a-hydroxydesogestrel
11281	320	0	0	False	3b-hydroxydesogestrel
11318	320	0	0	False	6-o-desmethyl-mycophenolic_acid
11461	320	0	0	False	n-trifluoroacetyladriamycin
11482	320	0	0	False	orciprenaline-3-o-sulfate
12094	320	0	0	False	3-alpha-oh-desogestrel
12095	320	0	0	False	3-beta-oh-desogestrel
13175	320	0	0	False	methylprednisolone_m4_metabolite
49	321	7	32	True	ergocalciferol
75	321	3	33	True	flunisolide
176	321	24	1092	True	pamidronic_acid
684	321	61	47	True	pentoxifylline
1030	321	1	0	False	amdinocillin
1162	321	3	24	True	cefoxitin
1197	321	1	0	False	paramethasone
1253	321	5	53	True	diamorphine
1871	321	0	0	False	6-hydroxymethyl-7_8-dihydropterin
2138	321	0	0	False	(3s)-3-amino-1-(cyclopropylamino)heptane-2_2-diol
2171	321	0	0	False	methicillin_acyl-serine
2281	321	0	0	False	6-(octahydro-1h-indol-1-ylmethyl)decahydroquinazoline-2_4-diamine
2337	321	0	0	False	3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic_acid
2431	321	0	0	False	delta-2-albomycin_a1
2748	321	0	0	False	d-lactic_acid
2954	321	0	0	False	2_6-anhydro-3-deoxy-d-erythro-hex-2-enonic_acid
3340	321	0	0	False	6-methylamino-5-nitroisocytosine
3722	321	0	0	False	balhimycin
3989	321	0	0	True	lactic_acid
4381	321	0	0	False	bunamiodyl
4430	321	10	0	True	huperzine_a
4761	321	0	0	False	ait-034
4851	321	4	0	False	maxacalcitol
4943	321	0	0	False	s-8510
4978	321	0	0	False	mitemcinal
5038	321	2	39	True	xylometazoline
6878	321	0	0	False	{(2z)-3-[(6-chloropyridin-3-yl)methyl]-1_3-thiazolidin-2-ylidene}cyanamide
6904	321	0	0	False	(1r_3s_5s_8r)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3_5-dicarboxylic_acid
7064	321	0	36	True	tafluprost
7069	321	7	9	True	deferiprone
7262	321	3	192	True	sodium_oxybate
7284	321	0	16	True	difluocortolone
7661	321	2	0	True	dihydroergocornine
7807	321	0	0	True	fluprostenol
8318	321	1	1	False	nimorazole
8464	321	0	0	False	ulodesine
9158	321	0	0	False	ferrous_aspartate
9217	321	0	0	True	meticrane
9404	321	0	0	False	cyclobutyrol
9578	321	7	18	True	cefpirome
9834	321	0	0	True	d-alpha-tocopherol_acetate
9992	321	0	0	False	l-lactic_acid
10812	321	0	0	False	buprenorphine_glucuronide
10999	321	0	0	False	s-methylazathioprine
11312	321	0	0	False	6-beta-naltrexol
11937	321	0	0	False	19_20-epoxydocosapentaenoic_acid
12516	321	0	0	False	9-o-demethylemetine_glucuronide
12602	321	0	0	False	travoprost_free_acid
12614	321	0	0	False	lactic_acid
12746	321	0	0	False	beta-ergocalciferol
13182	321	0	0	False	methylprednisolone_m11_metabolite
13183	321	0	0	False	methylprednisolone_m12_metabolite
59	322	0	67	True	vitamin_e
165	322	2	0	True	diatrizoate
171	322	53	82	True	theophylline
1067	322	59	114	True	bromocriptine
1090	322	35	49	True	aminophylline
1167	322	0	0	True	pipecuronium
1213	322	2	8	False	bambuterol
1277	322	0	0	False	codeine_methylbromide
1307	322	0	0	False	hydromorphinol
1452	322	0	0	False	8-azaguanine
2255	322	0	0	False	isobutyric_acid
2454	322	0	0	False	s-(methylmercury)-l-cysteine
2507	322	0	0	False	brodimoprim-4_6-dicarboxylate
2563	322	0	0	False	3''-(beta-chloroethyl)-2''_4''-dioxo-3__5''-spiro-oxazolidino-4-deacetoxy-vinblastine
2949	322	0	0	False	d-treitol
3021	322	0	0	False	2-iminobiotin
3057	322	0	0	False	sanglifehrin_a
3859	322	4	0	False	seocalcitol
3996	322	0	0	False	ncs-chromophore
4010	322	0	0	False	7_8-dihydroneopterin
4062	322	0	0	False	meso-erythritol
4195	322	0	0	False	n-acetylhistamine
4520	322	6	0	True	erdosteine
4859	322	2	36	True	simeprevir
5222	322	0	0	False	(1s_3as_5ar_8as)-1_7_7-trimethyl-1_2_3_3a_5a_6_7_8-octahydrocyclopenta[c]pentalene-4-carboxylic_acid
5771	322	0	0	False	(3r_4s)-1-[(4-amino-5h-pyrrolo[3_2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol
6001	322	0	0	False	(3r_4s_5s_7r_9e_11r_12r)-12-ethyl-4-hydroxy-3_5_7_11-tetramethyloxacyclododec-9-ene-2_8-dione
6589	322	0	0	False	4-amino-7_7-dimethyl-7_8-dihydroquinazolin-5(6h)-one
6886	322	0	0	False	n1-(2-amino-4-methylpentyl)octahydro-pyrrolo[1_2-a]_pyrimidine
6903	322	0	0	False	trazeolide
7025	322	0	0	False	n-(4-oxo-5_6_7_8-tetrahydro-4h-[1_3]thiazolo[5_4-c]azepin-2-yl)acetamide
7119	322	13	71	True	tofacitinib
7225	322	0	10	False	bromopride
7791	322	0	0	True	ceftiofur
7801	322	0	0	True	cloprostenol
8202	322	0	0	False	fluorescein_lisicol
8463	322	0	0	False	bizelesin
8468	322	1	0	False	enbucrilate
8622	322	0	0	False	gsk-356278
8754	322	0	0	False	cenerimod
9054	322	0	0	False	menaquinone_7
9079	322	0	0	False	gpx-150
9198	322	0	0	True	aceclidine
9399	322	0	0	False	iodine_(131i)_norcholesterol
9890	322	0	0	True	medronic_acid
9903	322	0	0	False	(1_2_6_7-3h)testosterone
9993	322	0	0	True	dl-alpha-tocopherol
10025	322	0	0	True	mometasone_furoate
10482	322	0	0	False	mk-6325
10593	322	0	0	False	cyc-065
10813	322	0	0	False	dihydroisomorphine
11008	322	0	0	False	beta-oxymorphol
11025	322	0	0	False	fluticasone_17beta-carboxylic_acid
11368	322	0	0	False	descladinose_roxithromycin
11598	322	0	0	False	2_4-diene-vpa
12101	322	0	0	False	hydroxy-docetaxel
12120	322	0	0	False	15-o-desmethyltacrolimus
12201	322	0	0	False	16-o-desmethylsirolimus
12309	322	0	0	False	nalmefene_3-o-sulfate
12821	322	0	0	False	oxymorphol
12823	322	0	0	False	alpha-oxymorphol
12885	322	0	0	False	beclomethasone-21-monopropionate_(21-bmp)
13116	322	0	0	False	20α-dihydro-prednisone_(m-v)
13117	322	0	0	False	20β-dihydro-prednisone_(m-iv)
13168	322	0	0	False	11-dehydrodexamethasone
32	323	53	90	True	calcitriol
244	323	13	53	True	tioguanine
581	323	11	154	True	nitrofurantoin
654	323	0	2	True	hydroflumethiazide
658	323	5	38	True	roxithromycin
832	323	1	95	True	norgestimate
1010	323	38	77	True	amifostine
1057	323	19	277	True	clindamycin
1825	323	0	0	False	2-(oxalyl-amino)-4_7-dihydro-5h-thieno[2_3-c]thiopyran-3-carboxylic_acid
3204	323	0	0	False	2-(2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol__polyethyleneglycol_peg400
3554	323	0	0	False	lfa703
3712	323	0	0	False	n'-[4-(2_4-dimethyl-1_3-thiazol-5-yl)-2-pyrimidinyl]-n-hydroxyimidoformamide
3912	323	0	0	False	1-methylcytosine
4353	323	7	1	False	suramin
4355	323	0	0	False	tagetitoxin
4671	323	0	0	False	ot-551
5050	323	0	4	True	isometheptene
5200	323	0	0	False	(1s)-2-[(2s_5r)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
6106	323	0	0	False	gibberellin_a4
7252	323	14	0	True	cannabidiol
9073	323	0	0	False	1alpha-hydroxyvitamin_d5
9774	323	1	0	False	valopicitabine
9986	323	0	0	False	monomethyl_fumarate
9987	323	0	0	False	beclomethasone_17-monopropionate
10109	323	0	0	False	estriol_tripropionate
10904	323	0	0	False	8-hydroxycarteolol
11190	323	0	0	False	6-thioguanine
11233	323	0	0	False	13-demethyl_tacrolimus
11387	323	0	0	False	ethionamide_sulphoxide
12105	323	0	0	False	8-oh-efavirenz
12119	323	0	0	False	13-o-desmethyltacrolimus
12575	323	0	0	False	etoperidone_m15
12579	323	0	0	False	etoperidone_m14
12745	323	0	0	False	24(r)_25dihydroxyvitamin_d
12884	323	0	0	False	beclomethasone-17-monopropionate_(17-bmp)
332	324	23	219	True	betamethasone
486	324	28	96	True	ivermectin
741	324	55	404	True	tacrolimus
1100	324	180	207	True	dexamethasone
1166	324	8	47	True	pancuronium
1220	324	1	25	True	ceftibuten
1642	324	0	0	False	epothilone_d
1866	324	0	0	False	6-methylpurine
1889	324	0	0	False	molybdenum_cofactor
1901	324	0	0	False	methionine_phosphonate
2122	324	0	0	False	2-amino-7-[2-(2-hydroxy-1-hydroxymethyl-ethylamino)-ethyl]-1_7-dihydro-purin-6-one
2674	324	0	0	False	8-iodo-guanine
2889	324	0	0	False	(2s_5s)-5-carboxymethylproline
3294	324	0	0	False	5-{[ethyl(methyl)amino]methyl}-2-methyl-5_6-dihydropyrimidin-4-amine
3740	324	0	0	False	willardiine
4229	324	0	0	False	(1s_2r_3s_4r_5s)-8-azabicyclo[3.2.1]octane-1_2_3_4-tetrol
4238	324	0	0	False	chromophore_(his-tyr-gly)
4432	324	5	0	True	halofuginone
4682	324	0	0	False	13-deoxydoxorubicin
5020	324	0	0	False	rostaporfin
5209	324	0	0	False	3-(1h-tetrazol-5-ylmethyl)-5_6_7_8-tetrahydro[1]benzothieno[2_3-d]pyrimidin-4(3h)-one
5334	324	0	0	False	(3r)-8-(dioxidosulfanyl)-3-methyl-1_2_3_4-tetrahydroquinoline
5501	324	0	0	False	6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2_4(1h_3h)-dione
6363	324	0	0	False	latrunculin_b
7067	324	2	0	True	spinosad
7190	324	0	0	False	etozoline
7315	324	0	0	True	technetium_tc-99m_oxidronate
7333	324	0	0	True	technetium_tc-99m_tetrofosmin
7501	324	0	20	True	meprednisone
7541	324	0	0	True	fludeoxyglucose_(18f)
7615	324	0	0	True	tetrofosmin
7913	324	0	0	False	e-6201
8125	324	1	0	False	triapine
8446	324	2	0	False	antroquinonol
8447	324	1	0	False	salvinorin_a
8872	324	0	0	False	rimeporide
9098	324	0	0	False	otx-008
9385	324	2	0	False	nalfurafine
9504	324	0	0	False	guanazodine
9698	324	0	0	False	bufylline
9703	324	0	0	False	carbromal
9736	324	0	0	False	timepidium
9806	324	0	0	True	calcium_saccharate
9945	324	0	0	True	oxidronic_acid
9955	324	87	0	True	geraniol
10111	324	4	0	True	methylprednisolone_aceponate
10117	324	0	0	True	dexamethasone_acetate
10125	324	0	0	True	paramethasone_acetate
10133	324	0	0	False	bornyl_acetate
10301	324	0	0	False	florbenazine_f-18
10440	324	0	0	False	bms-955176
10475	324	0	0	False	methylsamidorphan
10872	324	0	0	False	3-hydroxyropivacaine
10914	324	0	0	False	n-acetyl-3-hydroxyprocainamide
10976	324	0	0	False	31-o-demethyltacrolimus
11083	324	0	0	False	n-methylnicotinium
11213	324	0	0	False	doxorubicinol
11710	324	0	0	False	11-nor-9-carboxy-delta-9-thc
11752	324	0	0	False	teniposide_o-quinone_derivative
12244	324	0	0	False	zolmitriptan_n-oxide
12274	324	0	0	False	1h-imidazol-2-amine__1-((6-chloro-3-pyridinyl)methyl)-4_5-dihydro-n-nitroso-
12473	324	0	0	False	11-nor-9-carboxy-thc_(thc-cooh)
12744	324	0	0	False	calcitrol
48	325	17	101	True	thiamine
181	325	3	8	True	amcinonide
422	325	0	165	True	gadoversetamide
479	325	3	29	True	oxytetracycline
504	325	7	232	True	triamcinolone
583	325	0	0	True	eplerenone
757	325	6	27	True	chlorothiazide
830	325	20	13	True	netilmicin
905	325	2	0	False	cerulenin
1008	325	6	84	True	micafungin
1681	325	0	0	False	pentanal
1826	325	3	0	False	biliverdine_ix_alpha
1992	325	0	0	False	trifluoro-thiamin_phosphate
2352	325	0	0	False	oxaloacetate_ion
2465	325	0	0	False	s-mercaptocysteine
3599	325	0	0	False	1_4-dideoxy-5-dehydro-o2-sulfo-glucuronic_acid
3863	325	0	0	False	3-(7-hydroxy-8-ribityllumazine-6-yl)_propionic_acid
4274	325	0	0	False	(3beta)-cholest-5-ene-3_25-diol
4280	325	0	0	True	iodipamide
4401	325	0	1	True	rapacuronium
4610	325	0	0	False	etiprednol_dicloacetate
4736	325	0	0	False	pr-104
6371	325	0	0	False	2-chloro-4-{[(1r_3z_7s_7as)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1h-pyrrolo[1_2-c][1_3]oxazol-3-ylidene]amino}-3-methylbenzonitrile
6943	325	0	0	False	ubiquinone-1
7169	325	0	3	True	hexetidine
7713	325	0	0	True	carbomycin
7745	325	0	0	True	luprostiol
7820	325	0	0	True	tiletamine
7943	325	0	0	False	dutogliptin
7960	325	0	0	False	epetraborole
8150	325	0	0	False	mk-7145
8578	325	1	0	False	pimonidazole
8589	325	0	0	False	jnj-40346527
8658	325	0	0	False	anhydrovinblastine
8697	325	0	0	False	onapristone
8722	325	0	7	True	protionamide
8884	325	0	0	False	gs-9256
8970	325	0	0	False	nepicastat
9133	325	0	1	True	troleandomycin
9466	325	0	0	False	norgestrienone
9625	325	8	4	False	meglumine_antimoniate
9864	325	0	0	False	cannabidivarin
10056	325	0	0	True	hydrocortisone_probutate
10141	325	0	0	False	flurandrenolide_acetate
10500	325	0	0	False	fluorofuranylnorprogesterone_f-18
11097	325	0	0	False	cotinine_n-oxide
11324	325	0	0	False	6a-hydrox-ypaclitaxel
11596	325	0	0	False	carboxylifosfamide
12133	325	0	0	False	7-ethyl-10-[4-n-(5-aminopentanoic_acid)-1-piperidino]_carbonyloxycamptothecin
12415	325	0	0	False	d-glucuronate
12465	325	0	0	False	4-o-deacetylvinflunine
12686	325	0	0	False	21-chloro-17-alpha-hydroxy-16-alpha-methyl-9-beta_11-beta-oxidopregna-1_4-diene-3_20-dione
12743	325	0	0	False	25-hydroxyvitamin_d
12886	325	0	0	False	beclomethasone_(boh)
13169	325	0	0	False	methylprednisolone_m13_metabolite
13172	325	0	0	False	methylprednisolone_m7_metabolite
67	326	0	0	False	proline
544	326	0	118	True	metaxalone
577	326	22	235	True	daunorubicin
795	326	3	2	True	spectinomycin
1239	326	18	70	True	alfacalcidol
1711	326	0	0	False	1_n6-ethenoadenine
1885	326	0	0	False	chlorophyll_a
2129	326	0	0	False	l-rhamnitol
2549	326	0	0	False	d-proline
2591	326	0	0	False	(5r)-5-{[(2-amino-3h-purin-6-yl)oxy]methyl}-2-pyrrolidinone
2732	326	0	0	False	6-carboxymethyluracil
2782	326	0	0	False	2-(oxalyl-amino)-4_7-dihydro-5h-thieno[2_3-c]pyran-3-carboxylic_acid
2787	326	0	0	False	beta-alanine
2912	326	0	0	False	3_5-difluoroaniline
3132	326	0	0	False	1-[4-carboxy-2-(3-pentylamino)phenyl]-5_5'-di(hydroxymethyl)pyrrolidin-2-one
3290	326	0	0	False	[{(5-chloro-2-pyridinyl)amino}_methylene]-1_1-bisphosphonate
3370	326	0	0	False	4-((3r_4s_5r)-4-amino-3_5-dihydroxy-hex-1-ynyl)-5-fluoro-3-[1-(3-methoxy-1h-pyrrol-2-yl)-meth-(z)-ylidene]-1_3-dihydro-indol-2-one
3442	326	0	0	False	fucitol
3647	326	0	0	False	serine_vanadate
3707	326	0	0	False	9-deazahypoxanthine
3976	326	0	0	False	fe-mesopone
4713	326	0	0	False	rivanicline
5129	326	1	13	True	methylnaltrexone
6175	326	0	0	False	(r)-1-(4-(4-(hydroxymethyl)-1_3_2-dioxaborolan-2-yl)benzyl)guanidine
6980	326	0	0	False	5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6_7-dihydro-1h-pyrazolo[4_3-d]pyrimidin-5-yl)thiophene-2-sulfonamide
7309	326	0	11	True	iothalamic_acid
7662	326	0	0	True	dihydro-alpha-ergocryptine
7756	326	0	0	True	nitenpyram
7759	326	0	0	True	orbifloxacin
7780	326	0	0	True	tildipirosin
7810	326	0	0	True	isoflupredone
7819	326	0	0	True	semduramicin
8392	326	0	0	False	crs-3123
8711	326	0	0	False	patidegib
8901	326	0	0	False	psi-352938
9584	326	1	1	False	tacalcitol
10101	326	2	0	False	prednisolone_hemisuccinate
10112	326	21	0	True	methylprednisolone_hemisuccinate
10477	326	0	0	False	2-(1-hexyloxyethyl)-2-devinyl_pyropheophorbide-a
10825	326	0	0	False	4-hydroxypropofol
10929	326	0	0	False	noroxycodone
11006	326	0	0	False	alpha-noroxycodol
11007	326	0	0	False	beta-noroxycodol
11063	326	0	0	False	proline
11209	326	0	0	False	4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol
11298	326	0	0	False	4_5-dihydro-drospirenone-3-sulfate
11422	326	0	0	False	malathion_monocarboxylic_acid
11849	326	0	0	False	monohydroxy-vorapaxar_(m20)
11977	326	0	0	False	qs4
12181	326	0	0	False	4-oh-propofol
12515	326	0	0	False	cephaeline_6'-o-glucuronide
12822	326	0	0	False	noroxycodol
16	327	2	0	True	pyruvic_acid
259	327	4	344	True	levonorgestrel
493	327	3	20	True	ethionamide
829	327	2	0	False	dirithromycin
853	327	3	41	True	ramelteon
1168	327	8	49	True	vecuronium
1376	327	0	0	True	liotrix
1778	327	0	0	False	4-amino-5-hydroxymethyl-2-methylpyrimidine
2065	327	3	0	False	carbenoxolone
2094	327	0	0	False	s-methyl_thiocysteine_group
2363	327	0	0	False	(3-carboxy-2-(r)-hydroxy-propyl)-trimethyl-ammonium
2918	327	0	0	False	(s)-2-[4-(aminomethyl)-1h-1_2_3-triazol-1-yl]-4-methylpentanoic_acid
2989	327	0	0	False	(2s)-2-ammonio-3-[5-(2-methyl-2-propanyl)-3-oxido-1_2-oxazol-4-yl]propanoate
3525	327	0	0	False	oxalic_acid
3536	327	0	0	False	coenzyme_f420
3561	327	0	0	False	oxamic_acid
3566	327	0	0	False	n_n_n-trimethyl-2-(phosphonooxy)ethanaminium
3777	327	0	0	False	3_5-diaminophthalhydrazide
3915	327	0	0	False	3_3-dichloro-2-phosphonomethyl-acrylic_acid
4565	327	0	0	False	caprospinol
4782	327	0	0	False	istaroxime
5586	327	0	0	False	4-[(3r)-3-amino-4-(2_4_5-trifluorophenyl)butanoyl]-3-(2_2_2-trifluoroethyl)-1_4-diazepan-2-one
6013	327	0	0	False	(4z)-2_8:7_12:11_15:14_18:17_22-pentaanhydro-4_5_6_9_10_13_19_20_21-nonadeoxy-d-arabino-d-allo-d-allo-docosa-4_9_20-trienitol
6017	327	1	0	False	epibatidine
6694	327	0	0	False	prephenic_acid
6865	327	0	0	False	(3r_4s)-1-[(4-amino-5h-pyrrolo[3_2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
7090	327	0	0	False	nipecotic_acid
7170	327	12	0	False	hexamethonium
7502	327	0	19	True	norgestrel
7735	327	0	0	True	fenprostalene
7772	327	1	0	True	squalene
7814	327	0	0	True	pirlimycin
7841	327	0	4	True	asunaprevir
7935	327	0	0	True	tezacaftor
8167	327	0	0	False	mk-0812
9370	327	0	0	False	midecamycin
9685	327	0	0	False	iodocholesterol_(131i)
10600	327	0	0	False	rocacetrapib
11120	327	0	0	False	oxalic_acid
11123	327	0	0	False	thyroxine_sulfate
11416	327	0	0	False	lamivudine_sulfoxide
11460	327	0	0	False	n-oxide_abiraterone_sulfate
12441	327	0	0	False	4-0-deacetyl_vinorelbine
12576	327	0	0	False	etoperidone_m6
13170	327	0	0	False	methylprednisolone_m14_metabolite
405	328	7	72	True	caspofungin
782	328	6	55	True	tiagabine
806	328	0	0	True	metacycline
1119	328	2	3	True	ergometrine
1122	328	0	35	True	retapamulin
1229	328	2	17	False	alizapride
1358	328	0	0	False	dihydromorphine
1455	328	0	0	False	propyl_acetate
1847	328	0	0	False	n-2-thiophen-2-yl-acetamide_boronic_acid
2873	328	0	0	False	4-methoxy-e-rhodomycin_t
3001	328	0	0	False	5_6-cyclic-tetrahydropteridine
3324	328	0	0	False	3-hydroxy-propanoic_acid
3657	328	0	0	False	nitrocefin_acyl-serine
4123	328	0	0	False	afegostat
4370	328	0	0	False	verdoheme
4824	328	2	1	True	nalmefene
4900	328	1	39	True	doxercalciferol
6240	328	4	0	False	3-isobutyl-1-methyl-7h-xanthine
7495	328	0	0	True	norethynodrel
7968	328	0	0	False	tetrahydrocannabivarin
8265	328	0	0	True	vaborbactam
8489	328	0	0	False	ar-67
8857	328	0	0	False	pirnabine
9589	328	0	0	False	distigmine
9820	328	0	0	True	lutetium_lu_177_dotatate
10128	328	0	0	True	trenbolone_acetate
10155	328	0	0	True	dexamethasone_metasulfobenzoate
10325	328	0	0	False	cimlanod
11101	328	0	0	False	nicotine-1'-n-oxide
11454	328	0	0	False	n-di-demethyl_roxithromycin
11523	328	0	0	False	6alpha-hydroxy-hydromorphone
11524	328	0	0	False	6beta-hydroxy-hydromorphone
11535	328	0	0	False	nordihydroisomorphine
12963	328	0	0	False	6-β-hydromorphol
12964	328	0	0	False	6-α-hydromorphol
13118	328	0	0	False	17α_20ξ_21-trihydroxy-5ξ-pregn-1-en-3_11-dione(m-xviii)
36	329	13	13	True	riboflavin
571	329	0	332	True	mycophenolate_mofetil
622	329	30	58	True	mannitol
694	329	5	48	True	orciprenaline
745	329	1	53	True	benzonatate
843	329	20	67	True	dactinomycin
872	329	0	0	True	cyclacillin
1153	329	0	16	False	josamycin
1426	329	2	13	True	sorbitol
1625	329	0	0	False	5-bromonicotinamide
2000	329	1	0	False	orotic_acid
2272	329	0	0	False	8-(2-chloro-3_4_5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9h-purin-6-ylamine
2306	329	9	0	False	colforsin
3286	329	0	0	False	phosphonoacetohydroxamic_acid
3480	329	0	0	False	pentane-1_5-diamine
3482	329	0	0	False	l-eflornithine
3497	329	0	0	False	2_3-dideoxyfucose
3591	329	0	0	False	3-{2_6_8-trioxo-9-[(2r_3r_4r)-2_3_4_5-tetrahydroxypentyl]-1_2_3_6_8_9-hexahydro-7h-purin-7-yl}propyl_dihydrogen_phosphate
4087	329	0	0	False	chlorophyll_b
4117	329	0	0	False	glyphosate
4155	329	0	0	False	n-{[(2s_3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-
4363	329	0	0	False	inecalcitol
4456	329	0	0	False	becocalcidiol
4561	329	0	0	False	telapristone_acetate
4763	329	0	0	False	1alpha_24s-dihydroxyvitamin_d2
4832	329	0	19	True	eflornithine
4974	329	0	0	False	bevirimat
5671	329	0	0	False	(1s)-2-[(2s_5r)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine
6421	329	0	0	False	5-chloro-7-[(1-methylethyl)amino]pyrazolo[1_5-a]pyrimidine-3-carbonitrile
7002	329	0	0	False	n_n'-dimethyl-n-(acetyl)-n'-(7-nitrobenz-2-oxa-1_3-diazol-4-yl)ethylenediamine
7035	329	0	0	False	4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
7301	329	2	16	True	dienogest
7435	329	1	0	True	sodium_aurothiomalate
7499	329	0	0	True	fluprednisolone
7701	329	0	0	False	pidotimod
7740	329	0	0	True	haloxon
7742	329	2	0	True	imidacloprid
7858	329	1	20	False	aclarubicin
7987	329	0	0	False	danoprevir
8102	329	0	0	False	lanopepden
8244	329	0	0	False	anecortave
8281	329	0	0	False	dianicline
8915	329	0	0	False	mgl-3196
8946	329	0	0	True	methylprednisone
9292	329	0	0	False	motretinide
9331	329	0	0	False	pirisudanol
9688	329	0	0	True	calcium_levulinate
9861	329	0	0	False	cholesteryl_chloride
10027	329	0	0	False	magnesium_levulinate
10667	329	22	0	False	ursolic_acid
10874	329	0	0	False	1-methylxanthine
11009	329	0	0	False	alpha-oxycodol
11010	329	0	0	False	beta-oxycodol
11235	329	0	0	False	17-desacetyl-rocuronium
11505	329	0	0	False	salbutamol_4-o-sulfate
11532	329	0	0	False	hydromorphone-3-sulphate
12126	329	0	0	False	o-desmethylgalantamine
12156	329	0	0	False	17alpha-hydroxymifepristone
12585	329	0	0	False	25-deacetyl-rifamycin
12593	329	0	0	False	hydroxy_prucalopride
12902	329	0	0	False	mycophenolic_acyl-glucuronide_(acmpag)
13180	329	0	0	False	methylprednisolone_m1_metabolite
18	330	3	25	True	biotin
56	330	0	0	False	alanine
228	330	5	0	True	nitrofural
245	330	3	62	True	methylergometrine
334	330	25	111	True	epirubicin
349	330	1	66	True	verteporfin
644	330	0	0	True	mometasone
748	330	23	90	True	terbutaline
869	330	103	206	True	doxorubicin
896	330	0	113	True	mycophenolic_acid
1022	330	0	18	True	gemifloxacin
1059	330	5	62	True	oxymorphone
1195	330	0	0	True	cortisone_acetate
1326	330	0	0	False	diethylthiambutene
1371	330	0	0	False	metrizamide
1561	330	0	0	False	d-alanine
1677	330	20	0	True	d-glucose
1964	330	0	0	False	2_6-diamino-(s)-9-[2-(phosphonomethoxy)propyl]purine
2069	330	0	0	False	(r)-2-hydroxy-3-sulfopropanoic_acid
2105	330	0	0	False	2_5-dimethylpyrimidin-4-amine
2548	330	0	0	False	domoic_acid
2590	330	0	0	False	acetylphosphate
3078	330	0	0	False	thiamine(1+)_monophosphate
3506	330	0	0	False	carboxyethyllumazine
4221	330	0	0	False	5-[(3as_4r_6ar)-2-oxohexahydro-1h-thieno[3_4-d]imidazol-4-yl]pentanoic_acid
4497	330	0	0	False	banoxantrone
4692	330	10	0	False	andrographolide
4875	330	3	0	False	trodusquemine
5029	330	0	0	False	asoprisnil
5097	330	10	0	True	pinacidil
5360	330	0	0	False	7-amino-2-tert-butyl-4-{[2-(1h-imidazol-4-yl)ethyl]amino}pyrido[2_3-d]pyrimidine-6-carboxamide
6241	330	0	0	False	(2-bromoethyl)(2-'formyl-4'-aminophenyl)_acetate
6505	330	0	0	False	myxopyronin_b
7068	330	0	0	True	ioflupane_i-123
7079	330	13	0	False	agmatine
7374	330	1	0	False	arotinolol
7556	330	0	0	True	ixazomib
7768	330	0	0	True	ronnel
7823	330	0	0	True	tylvalosin
7951	330	0	0	True	galactose
7967	330	1	0	True	rifamycin
7978	330	0	0	False	azd-1305
8011	330	0	0	False	vtp-194204
8110	330	1	46	True	deflazacort
8512	330	0	0	False	sabarubicin
8567	330	2	5	True	lynestrenol
8911	330	0	0	False	mannose
8962	330	0	0	False	levoglucose
9065	330	5	0	False	enoxolone
9197	330	0	0	False	sitafloxacin
9276	330	0	0	False	azanidazole
9608	330	1	0	False	dilazep
9750	330	0	0	False	etynodiol
9891	330	0	0	False	hydroxybutyloxide
10093	330	0	0	False	meprednisone_acetate
10108	330	2	0	True	isoflupredone_acetate
10137	330	1	0	True	betamethasone_phosphate
10741	330	0	0	False	n-desalkylvicriviroc
10913	330	0	0	False	oxymorphone
10927	330	0	0	False	norcodeine
10953	330	0	0	False	2-hydroxyethinylestradiol
11000	330	0	0	False	terbutaline
11048	330	0	0	False	5-hydroxybuspirone
11196	330	0	0	False	mycophenolic_acid_(mpa)
11309	330	0	0	False	6-allyl-8b-carboxy-ergoline
11439	330	0	0	False	n-carbamoyl_glucuronide_lorcaserin
11581	330	0	0	False	carboxyphosphamide
11661	330	0	0	False	6-monoacetylmorphine
11909	330	0	0	False	nbi-136110
12127	330	0	0	False	galantamine_n-oxide
12518	330	0	0	False	glycyrrhetinic_acid
12534	330	0	0	False	5_6-ortho-quinone
12680	330	0	0	False	mometasone
12788	330	0	0	False	desacylpravastatin
12901	330	0	0	False	6-o-desmethyl-mpa_(dm-mpa)
12923	330	0	0	False	trigonelline
13146	330	0	0	False	3α_5α-tetrahydronorethisterone
13147	330	0	0	False	3β_5α-tetrahydronorethisterone
13149	330	0	0	False	3α_5β-tetrahydronorethisterone
13150	330	0	0	False	3β_5β-tetrahydronorethisterone
47	331	7	8	True	cysteine
254	331	3	8	True	anidulafungin
569	331	6	0	True	pentosan_polysulfate
590	331	16	229	True	lamivudine
736	331	40	36	True	penicillamine
1318	331	0	0	False	ecgonine
1708	331	0	0	False	2-amino-n_3_3-trimethylbutanamide
1762	331	0	0	False	2-oxo-3-pentenoic_acid
2063	331	0	0	False	triethylene_glycol
2698	331	1	0	False	patupilone
2855	331	0	0	False	4_5-dimethyl-1_2-phenylenediamine
2875	331	0	0	False	d-cysteine
3110	331	0	0	False	cephalothin_group
3292	331	0	0	False	picric_acid
3360	331	0	0	False	coproporphyrin_i
3939	331	0	0	False	7-((carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-(3-((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic_acid
4146	331	10	1	True	latamoxef
4219	331	0	0	False	s-propylamine-l-cysteine
4717	331	4	0	False	ethyl_pyruvate
5472	331	0	0	False	(3r)-4-[(3r)-3-amino-4-(2_4_5-trifluorophenyl)butanoyl]-3-methyl-1_4-diazepan-2-one
6139	331	0	0	False	(1r_2s)-2-(5-thioxo-4_5-dihydro-1h-1_2_4-triazol-3-yl)cyclohexanecarboxylic_acid
6422	331	0	0	False	5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1_5-a]pyrimidine-3-carbonitrile
6619	331	0	0	False	4-{[(2s)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3h-indole-2-carbonitrile
7260	331	8	28	True	tibolone
7984	331	0	0	False	pazufloxacin
8104	331	0	0	True	valbenazine
8859	331	0	1	False	reproterol
8941	331	6	0	False	8-cyclopentyl-1_3-dipropylxanthine
9031	331	4	0	False	tirilazad
9146	331	0	0	False	prednylidene
9363	331	0	0	False	mazaticol
9663	331	3	0	False	tertatolol
9710	331	0	0	False	enprostil
9761	331	0	0	True	pibrentasvir
9843	331	0	0	False	h3b-8800
9858	331	3	0	False	beta-sitosterol
9904	331	0	0	False	tocopherylquinone
10192	331	0	0	False	pamiparib
10346	331	0	0	False	adriforant
10487	331	0	0	False	milademetan
10620	331	0	0	False	octyl_triazone
11047	331	0	0	False	3′-hydroxybuspirone
11072	331	0	0	False	cysteine
11234	331	0	0	False	15beta-hydroxycyproterone_acetate
11429	331	0	0	False	mycophenolic_acid_glucuronide
11504	331	0	0	False	rpr123142
12351	331	0	0	False	m1b_ertugliflozin
12352	331	0	0	False	m1a_ertugliflozin
12924	331	0	0	False	n1-methyl-4-pyridone-5-carboxamide
13154	331	0	0	False	dihydrocortisol
64	332	20	490	True	cholecalciferol
192	332	1	15	True	penciclovir
211	332	6	100	True	codeine
383	332	7	78	True	entacapone
431	332	1	18	True	desoximetasone
536	332	15	53	True	pentazocine
649	332	0	0	True	hydrocortamate
667	332	0	0	True	gadopentetic_acid
671	332	0	0	True	haloprogin
682	332	4	47	True	dicyclomine
701	332	1	0	True	ethynodiol_diacetate
786	332	10	106	True	paricalcitol
833	332	136	316	True	methylprednisolone
938	332	1	5	True	dihydrotachysterol
1790	332	0	0	False	tridolgosir
2031	332	0	0	False	n-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-1-methyl-1h-pyrrol-2-yl]carbonyl}amino)-5-isopropyl-1_3-thiazole-4-carboxamide
2036	332	3	27	True	calcipotriol
2432	332	0	0	False	2-amino-4-(4-amino-cyclohexa-2_5-dienyl)-butyric_acid
2886	332	0	0	False	4-deoxyglucarate
3189	332	0	0	False	2-(acetylamino)-2-deoxy-6-o-methyl-alpha-d-allopyranose
3309	332	0	0	False	2-(oxalyl-amino)-4_5_6_7-tetrahydro-thieno[2_3-c]pyridine-3-carboxylic_acid
3331	332	0	0	False	lanosterol
3346	332	0	0	False	6-hydroxy-6-methyl-heptan-3-one
3449	332	0	0	False	ethyl_dihydrogen_phosphate
3509	332	0	0	False	biopterin
3815	332	0	0	False	3-(alpha-d-galactopyranosyloxy)-n-(3-{4-[3-({2-[(3-{4-[3-({[3-(hexopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3_4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide
4125	332	0	0	False	inhibitor_bea409
5405	332	0	0	False	4-[(1s_2s_5s_9r)-5-(hydroxymethyl)-8_9-dimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
5663	332	0	0	False	brefeldin_a
6744	332	0	0	False	4-hydroxy-n-propargyl-1(r)-aminoindan
7232	332	2	4	True	ledipasvir
7242	332	0	0	True	finafloxacin
7518	332	0	0	True	indium_in-111_pentetate
7609	332	0	0	True	bicisate
7771	332	3	0	True	selamectin
7965	332	0	102	True	clobetasol
8283	332	20	0	True	sultamicillin
8530	332	0	0	False	bc-3781
8572	332	0	0	False	zabofloxacin
8662	332	0	0	False	bms-911543
8845	332	0	0	True	lefamulin
9475	332	0	0	False	acefylline
9477	332	0	0	False	bietaserpine
10127	332	0	0	False	melengestrol_acetate
10172	332	0	0	False	queuine
10283	332	0	0	False	pf-06651600
10321	332	0	0	False	martinostat
10462	332	0	0	False	gs-6620
10584	332	0	0	False	lb-100
10956	332	0	0	False	omega-hydroxyfinasteride
11236	332	0	0	False	17-hydroxymethylethisterone
11426	332	0	0	False	monic_acid
11499	332	0	0	False	pyrazinoic_acid
11503	332	0	0	False	rpr112698
12591	332	0	0	False	prucalopride_n-glucuronide
12792	332	0	0	False	7alpha-thiomethylspironolactone
12834	332	0	0	False	raloxifene-6__4′-diglucuronide
12872	332	0	0	False	21-deflazacort
13101	332	0	0	False	20β-dihydrofluorocortisol
13122	332	0	0	False	emtricitabine_3'-sulfoxide_(m-iii)
13123	332	0	0	False	emtricitabine_3'-sulfoxide_(m-iv)
148	333	42	139	True	doxycycline
195	333	16	51	True	tranexamic_acid
333	333	7	12	True	teniposide
348	333	7	91	True	acitretin
519	333	160	294	True	prednisone
636	333	0	0	True	hexachlorophene
723	333	0	1	True	flurandrenolide
756	333	0	0	True	emtricitabine
838	333	5	22	True	apraclonidine
1124	333	1	32	True	desonide
1407	333	6	2	True	molindone
1579	333	0	0	False	10-{4-dimethylamino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-tetrahydro-pyran-2-yloxy)-tetrahydro-pyrane-2-yloxy]-6-methyl-tetrahydro-pyran-2-yloxy}-8-ethyl-1_8_11-trihydroxy-7_8_9_10-tetrahydro-naphthacene-5_12-dione
1783	333	0	0	False	n-{(4s)-4-amino-5-[(2-aminoethyl)amino]pentyl}-n'-nitroguanidine
1887	333	0	0	False	1-deoxy-1-{2_6_8-trioxo-7-[4-(phosphonooxy)butyl]-1_2_3_6_7_8-hexahydro-9h-purin-9-yl}-d-arabinitol
1906	333	0	0	False	sulfopyruvate
2144	333	0	0	False	cyclo(his-pro)
2319	333	0	0	False	oseltamivir_acid
2419	333	0	0	False	4-{2_6_8-trioxo-9-[(2s_3r_4r)-2_3_4_5-tetrahydroxypentyl]-1_2_3_6_8_9-hexahydro-7h-purin-7-yl}butyl_dihydrogen_phosphate
2434	333	0	0	False	2-butyl-1-hydroxyguanidine
2442	333	0	0	False	2-amino-3-oxo-4-sulfo-butyric_acid
3463	333	0	0	False	1_3_5-trichloro-benzene
3585	333	0	0	False	clorobiocin
3703	333	0	0	False	rh-1
3956	333	0	0	False	mesobiliverdin_iv_alpha
4369	333	0	0	False	d-erithro-2_3-diamino-butyric_acid
4371	333	0	0	False	l-threo-2_3-diamino-butyric_acid
4737	333	0	0	False	sns-032
4884	333	0	0	False	becatecarin
4935	333	4	0	False	propentofylline
5225	333	0	0	False	ethyl_2-amino-4-hydroxypyrimidine-5-carboxylate
5258	333	0	0	False	n-(trans-4-{(1s_2s)-2-amino-3-[(3s)-3-fluoropyrrolidin-1-yl]-1-methyl-3-oxopropyl}cyclohexyl)-n-methylacetamide
5798	333	0	0	False	5-amino-2_4_6-tribromobenzene-1_3-dicarboxylic_acid
6966	333	0	0	False	2_6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[4-methyl-2h-tetrazol-2-yl]-phenol
7433	333	0	8	True	artesunate
7515	333	0	0	True	xylose
7626	333	0	0	False	xylitol
7728	333	0	0	True	efrotomycin
7736	333	2	0	True	fenthion
7868	333	0	0	True	opicapone
7873	333	2	0	True	amifampridine
7952	333	0	0	False	pf-00489791
8147	333	0	0	False	sjg-136
8671	333	0	0	False	sisomicin
9522	333	0	0	False	selenium_(75se)_norcholesterol
9595	333	0	0	False	ioglicic_acid
9887	333	0	0	False	icaridin
10156	333	0	0	False	ribitol
10375	333	0	0	False	ribose
10384	333	0	0	True	upadacitinib
11038	333	0	0	False	2-oxobrimonidine
11367	333	0	0	False	deoxydihydro-artemisinin
11410	333	0	0	False	hydroxylated_n-acetyl_desmethyl_frovatriptan
11915	333	0	0	False	1-n-acetyltriethylenetetramine
12361	333	0	0	False	deacetyl-thymoxamine
12462	333	0	0	False	bms-798430
12488	333	0	0	False	m4_(bioallethrin)
12588	333	0	0	False	desmethyl_prucalopride
13105	333	0	0	False	20α-dihydro-prednisolone_(m-iii)
13106	333	0	0	False	20β-dihydro-prednisolone_(m-ii)
310	334	48	139	True	spironolactone
1160	334	2	41	True	cefoperazone
1347	334	0	0	False	bolandiol
1400	334	1	78	True	valganciclovir
1555	334	0	0	False	glycerol-2-phosphate
1613	334	0	0	False	2-deoxy-d-glucitol_6-(e)-vinylhomophosphonate
1811	334	0	0	False	(s)-ampa
2058	334	0	0	False	heparin_disaccharide_i-s
2118	334	0	0	False	d-threo-neopterin
2756	334	0	0	False	7-cyano-7-deazaguanine
3016	334	0	0	False	huperzine_b
3103	334	0	0	False	bis(5-amidino-benzimidazolyl)methanone_zinc
3405	334	0	0	False	glutamyl_group
4273	334	0	0	False	20-hydroxycholesterol
4406	334	12	0	True	cyproterone_acetate
4537	334	0	0	False	elsamitrucin
4970	334	0	0	False	valomaciclovir
5060	334	0	0	True	fospropofol
5389	334	0	0	False	(r)-1-(4-(4-(hydroxymethyl)-1_3_2-dioxaborolan-2-yl)phenethyl)guanidine
5581	334	0	0	False	8-ethyl-3_10_10-trimethyl-4_5_6_8_10_12-hexahydropyrazolo[4'_3':6_7]cyclohepta[1_2-b]pyrrolo[2_3-f]indol-9(1h)-one
5789	334	0	0	False	(2r)-n-[(2r)-2-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-n-[(5r)-5-(dihydroxyboryl)-1-l-prolylpyrrolidin-2-yl]-l-prolinamide
5806	334	0	0	False	n-(4-{[amino(imino)methyl]amino}butyl)-2_4'-bi-1_3-thiazole-4-carboxamide
6357	334	0	0	False	3-(3-methyl-2-buten-1-yl)-3h-purin-6-amine
6685	334	0	0	False	(9beta_13alpha_14beta_17alpha)-2-methoxyestra-1_3_5(10)-triene-3_17-diyl_disulfamate
7195	334	1	0	True	etidocaine
7710	334	0	0	True	buquinolate
7936	334	0	0	False	ruzasvir
8124	334	0	0	False	henagliflozin
8298	334	0	0	False	azd-0328
8730	334	0	0	False	pf-04995274
9281	334	0	0	False	visnadine
9288	334	0	0	False	oxaceprol
9403	334	0	0	False	fluperolone
9598	334	0	0	False	decamethoxine
9857	334	0	0	False	madecassic_acid
9942	334	3	0	False	ginsenosides
10053	334	4	0	True	hydrocortisone_butyrate
10099	334	1	0	True	prednisolone_phosphate
10221	334	0	0	False	profoxydim
10292	334	0	0	False	menaquinone_6
10361	334	0	0	False	neopterin
10628	334	3	0	False	eticlopride
11207	334	0	0	False	desacetylcephapirin
12547	334	0	0	False	ethinylestradiol-6-hydroxyl-3-sulfate
12555	334	0	0	False	m1b_(alectinib)
13083	334	0	0	False	hydroxyanastrozole_glucuronide_metabolite
13178	334	0	0	False	methylprednisolone_m2_metabolite
13179	334	0	0	False	methylprednisolone_m3_metabolite
52	335	0	0	True	threonine
242	335	11	124	True	minoxidil
442	335	0	60	True	zanamivir
586	335	28	51	True	naltrexone
721	335	14	45	True	nalbuphine
737	335	174	395	True	prednisolone
920	335	1	0	True	novobiocin
1063	335	2	36	True	estramustine
1149	335	1	0	True	rolitetracycline
1156	335	0	0	True	quinethazone
1466	335	0	0	False	6'-methyl-thiamin_diphosphate
1556	335	0	0	False	fusicoccin
1651	335	0	0	False	(2s)-2-amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1_1-diol
2555	335	0	0	False	soraphen_a
3335	335	0	0	False	d-threonine
3768	335	0	0	True	pyrophosphoric_acid
4202	335	0	2	False	aldosterone
4412	335	2	47	True	ixabepilone
4501	335	2	0	False	satraplatin
4727	335	0	0	False	edonerpic
4926	335	0	0	False	squalamine
5212	335	0	0	False	(5s)-4_5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-n-(2-hydroxyethoxy)cyclohexa-1_3-diene-1-carboxamide
5311	335	0	0	False	(2s_3s)-4-cyclopropyl-3-{(3r_5r)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1_2_4-oxadiazolidin-5-yl}-1-[(3s)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine
5391	335	0	0	False	5_5-dimethyl-2-morpholin-4-yl-5_6-dihydro-1_3-benzothiazol-7(4h)-one
5794	335	0	0	False	(6-methyl-3_4-dihydro-2h-chromen-2-yl)methylphosphinate
6689	335	0	0	False	piperidine-2-carboxylic_acid_tert-butylamide
6787	335	0	0	False	hydroxy[3-(6-methylpyridin-2-yl)propyl]formamide
7026	335	0	0	False	5_6_7_8-tetrahydro[1]benzothieno[2_3-d]pyrimidin-4(3h)-one
7249	335	1	18	True	amorolfine
7366	335	0	0	False	lubazodone
8821	335	0	0	False	laninamivir
9051	335	2	0	False	creatinolfosfate
9075	335	2	0	False	valnoctamide
9230	335	0	0	False	triaziquone
9337	335	0	0	False	moxestrol
9502	335	0	0	False	promegestone
9786	335	0	0	False	s-40503
10114	335	0	0	True	prednisone_acetate
10457	335	0	0	False	bms-986104
11194	335	0	0	False	prednisolone
11315	335	0	0	False	6-hydroxymelatonin_sulfate
11434	335	0	0	False	n-acetyl_gemifloxacin
11479	335	0	0	False	op-1118
11754	335	0	0	False	etoposide_ortho-quinone
12106	335	0	0	False	6beta-hydroxyeplerenone
12107	335	0	0	False	21-hydroxyeplerenone
12412	335	0	0	False	n__n-diethylglycine
12460	335	0	0	False	asunaprevir_m8
12541	335	0	0	False	δ1-cortienic_acid_etabonate_(pj-91)
13001	335	0	0	False	4-hydroxy_nebivolol
13108	335	0	0	False	6α_11β_17α_20β_21-pentahydroxypregnan-1_4-diene-3-one_(m-x)
13110	335	0	0	False	6β_11β_17α_20β_21-pentahydroxypregnan-1_4-diene-3-one_(m-viii)
13113	335	0	0	False	6β_11β_17α_20α_21-pentahydroxypregnan-1_4-diene-3-one_(m-ix)
13119	335	0	0	False	6α-hydroxy-prednisone_(m-xiii)
13120	335	0	0	False	6βhydroxy-prednisone_(m-xii)
243	336	3	0	True	megestrol_acetate
386	336	13	173	True	oxycodone
450	336	0	0	True	succimer
942	336	3	14	True	perhexiline
1114	336	41	167	True	docetaxel
1235	336	0	0	False	allylestrenol
1313	336	1	0	False	tenocyclidine
1462	336	3	0	False	fumaric_acid
1749	336	0	0	False	cholesterol_sulfate
2119	336	0	0	False	leucine_phosphonic_acid
2486	336	0	0	False	n-acetylmannosaminitol
2570	336	0	0	False	3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1_3-dienylamino)-indolizine-2-carboxylic_acid
2613	336	0	0	False	(south)-methanocarba-thymidine
2893	336	0	0	False	11-deoxy-beta-rhodomycin
3344	336	0	0	False	bicine
3363	336	0	0	False	3_9-dimethyladenine
3391	336	1	0	False	fg-9041
3583	336	0	0	False	s-(dimethylarsenic)cysteine
3899	336	0	0	False	maleic_acid
3960	336	0	0	False	debromohymenialdisine
4495	336	1	0	False	canfosfamide
4644	336	0	0	False	alanosine
5106	336	1	42	True	cabazitaxel
5511	336	0	0	False	4-[(1s_2s_5s)-5-(hydroxymethyl)-6_8_9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
5692	336	0	0	False	(2s)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)-3-methyl-1-butanol
5888	336	0	0	False	5-(5-chloro-7h-pyrrolo[2_3-d]pyrimidin-4-yl)-4_5_6_7-tetrahydro-1h-imidazo[4_5-c]pyridine
6698	336	0	0	False	[(3r_4s)-4-hydroxy-3-methyl-2-oxohexyl]phosphonic_acid
6741	336	0	0	False	3-amino-azacyclotridecan-2-one
7624	336	5	0	True	cobamamide
7817	336	0	0	True	romifidine
8851	336	4	0	False	tandospirone
8930	336	0	0	False	ro-4987655
9000	336	0	0	False	aqx-1125
9251	336	0	0	False	nifurzide
9547	336	0	0	False	aloglutamol
9900	336	0	0	True	dimercaptosuccinic_acid
10105	336	0	0	False	fluprednisolone_acetate
10550	336	4	0	False	xanomeline
10863	336	0	0	False	p-hydroxymexiletine
11049	336	0	0	False	6'-hydroxybuspirone
11050	336	0	0	False	tafluprost_free_acid
11113	336	0	0	False	7-methylxanthine
11200	336	0	0	False	docetaxel
11268	336	0	0	False	3-hydroxy-4-aminopyridine_sulfate
12003	336	0	0	False	(r)-(-)-mexiletine__p-hydroxyl
12243	336	0	0	False	n-desmethylzolmitriptan
12513	336	0	0	False	9-o-demethylemetine
12545	336	0	0	False	ethinylestradiol-2-hydroxyl-3-sulfate
12641	336	0	0	False	2-hydroxy_equilin
12642	336	0	0	False	4-hydroxy_equilin
12877	336	0	0	False	m2_metabolite__tezacaftor
461	337	4	109	True	valaciclovir
505	337	5	9	True	oxandrolone
597	337	2	13	True	nedocromil
702	337	2	0	True	enprofylline
854	337	66	3	True	physostigmine
1037	337	9	0	True	guanethidine
1212	337	4	16	True	clenbuterol
1215	337	0	39	True	ciclesonide
1257	337	0	0	False	5-androstenedione
1449	337	0	0	False	(s)-des-me-ampa
2110	337	0	0	False	guanine
2233	337	12	0	False	farnesol
2343	337	0	0	False	phenylferricrocin-iron
2686	337	0	0	False	metribolone
3382	337	0	0	False	isovaleric_acid
3428	337	0	0	False	trifluoromethionine
3451	337	0	0	False	7-iodo-1_2_3_4-tetrahydro-isoquinoline
3742	337	0	0	False	10-(4-dimethylamino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-8-ethyl-1_8_11-trihydroxy-7_8_9_10-tetrahydro-naphthacene-5_12-dione
3929	337	0	0	False	2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol
4566	337	0	0	False	ecabet
4794	337	0	0	False	forodesine
5117	337	1	2	True	halcinonide
5710	337	0	0	False	2-[(cyclopropylcarbonyl)amino]-4_5_6_7-tetrahydro-1-benzothiophene-3-carboxamide
6182	337	0	0	False	4-(2-hydroxy-4-fluorophenylthio)-butylphosphonic_acid
6235	337	0	0	False	({[(3e)-2'-oxo-2'_7'-dihydro-2_3'-biindol-3(7h)-ylidene]amino}oxy)acetic_acid
6652	337	0	0	False	gosogliptin
6743	337	0	0	False	n-(3_5-dimethoxyphenyl)imidodicarbonimidic_diamide
7240	337	0	0	True	tavaborole
7354	337	0	0	False	edivoxetine
7480	337	0	0	True	tyropanoic_acid
7757	337	0	0	True	norgestomet
7788	337	0	0	True	zilpaterol
7796	337	0	0	True	(s)-methoprene
8013	337	0	0	False	faldaprevir
8093	337	0	0	False	gisadenafil
8377	337	0	0	False	tak-733
8573	337	7	0	False	betulinic_acid
8749	337	3	0	False	methylselenocysteine
9178	337	0	0	False	cymarin
9607	337	0	0	False	xibornol
9959	337	0	0	True	hydroxycitronellal
10057	337	0	0	True	hydrocortisone_valerate
10086	337	0	0	True	loteprednol
10175	337	0	0	False	cannabichromene
11084	337	0	0	False	nicotine_imine
11143	337	0	0	False	calcitroic_acid
11208	337	0	0	False	17-beta-estradiol-3_17-beta-sulfate
11228	337	0	0	False	mycophenolic_acid-acyl_glucuronide
11278	337	0	0	False	3'-p-hydroxypaclitaxel
11457	337	0	0	False	n-monodesmethyl-rizatriptan
11573	337	0	0	False	doxirubicinol_hydroxyaglycone
11923	337	0	0	False	se-methylselenocysteine
12169	337	0	0	False	(s)-nicotine_delta-1'_5'-iminium_ion
12356	337	0	0	False	m3_ertugliflozin
12362	337	0	0	False	deacetyl-demethyl-thymoxamine
12425	337	0	0	False	amrubicinol
12739	337	0	0	False	sitagliptin_m1_metabolite
13145	337	0	0	False	5α-dihydronorethisterone
13148	337	0	0	False	5β-dihydronorethisterone
141	338	16	20	True	methysergide
162	338	6	87	True	ropinirole
196	338	1	72	True	ertapenem
530	338	1	100	True	nystatin
557	338	15	55	True	galantamine
570	338	12	43	True	fludrocortisone
598	338	2	67	True	norethisterone
629	338	13	59	True	etodolac
1047	338	0	0	True	rescinnamine
1217	338	0	2	False	theobromine
1292	338	0	0	False	ethylestrenol
1427	338	0	0	False	n-methyl-pyridoxal-5'-phosphate
1522	338	0	0	False	(3r)-1-acetyl-3-methylpiperidine
1581	338	0	0	False	thiarsahydroxy-cysteine
1658	338	0	0	False	n_n-bis(3-(d-gluconamido)propyl)deoxycholamide
2027	338	0	0	False	3-{2_6_8-trioxo-9-[(2s_3s_4r)-2_3_4_5-tetrahydroxypentyl]-1_2_3_6_8_9-hexahydro-7h-purin-7-yl}propyl_dihydrogen_phosphate
2081	338	0	0	False	2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic_acid
2202	338	0	0	False	deoxyamidinoproclavaminic_acid
2364	338	0	0	False	3-amino-3-oxopropanoic_acid
2640	338	0	0	False	3-hydroxypyruvic_acid
2709	338	0	0	False	3-[2_6_8-trioxo-9-[(2r_3s_4r)-2_3_4_5-tetrahydroxypentyl]-3h-purin-7-yl]propyl_dihydrogen_phosphate
2957	338	0	0	False	4-(2-amino-ethoxy)-2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-but-3-enoic_acid
3374	338	0	0	False	2-methylbutanoic_acid
3439	338	0	0	False	3-{2_6_8-trioxo-9-[(2s_3r_4r)-2_3_4_5-tetrahydroxypentyl]-1_2_3_6_8_9-hexahydro-7h-purin-7-yl}propyl_dihydrogen_phosphate
3654	338	0	0	True	ergosterol
3685	338	0	0	False	6-deoxyerythronolide_b
4036	338	0	0	False	alpha-aminobutyric_acid
4130	338	0	0	False	2-oxobutanoic_acid
4467	338	0	0	False	stannsoporfin
4511	338	0	0	False	arimoclomol
4550	338	1	0	False	he3286
4811	338	1	0	True	sugammadex
4849	338	1	0	True	udenafil
4878	338	2	0	False	ar-9281
5232	338	0	0	False	(3r)-3-[3_5-bis(trifluoromethyl)anilino]-2-cyano-3-sulfanylpropanamide
5788	338	0	0	False	tert-butyl_[(2-amino-4-oxo-4_7-dihydro-3h-pyrrolo[2_3-d]pyrimidin-5-yl)methyl]carbamate
5810	338	0	0	False	(5e)-5-[(2_2-difluoro-1_3-benzodioxol-5-yl)methylene]-1_3-thiazolidine-2_4-dione
6435	338	0	0	False	(5e)-14-chloro-15_17-dihydroxy-4_7_8_9_10_11-hexahydro-2-benzoxacyclopentadecine-1_12(3h_13h)-dione
6553	338	0	0	False	2-(2-chloro-4-fluorophenoxy)-2-methyl-n-[(1r_2s_3s_5s_7s)-5-(methylsulfonyl)-2-adamantyl]propanamide
6629	338	0	0	False	1-ethoxy-2-(2-ethoxyethoxy)ethane
6985	338	0	0	False	6_6-dimethyl-1-[3-(2_4_5-trichlorophenoxy)propoxy]-1_6-dihydro-1_3_5-triazine-2_4-diamine
7073	338	5	0	False	2-deoxyglucose
7422	338	5	13	True	tegafur
7423	338	3	0	True	gimeracil
7474	338	0	0	True	tegafur-uracil
7610	338	0	0	True	calcium_threonate
7619	338	0	0	True	oftasceine
7821	338	0	0	True	trenbolone
7840	338	0	0	True	drometrizole_trisiloxane
8014	338	0	0	False	artefenomel
8038	338	0	0	True	indium_in-111_pentetreotide
8269	338	3	0	False	mk-212
8435	338	0	0	False	org-25435
8680	338	0	0	True	plazomicin
8932	338	0	0	False	remogliflozin_etabonate
8968	338	0	0	False	simenepag_isopropyl
9082	338	0	0	False	glycovir
9102	338	0	0	False	trimegestone
9139	338	0	0	False	phosphocreatine
9237	338	1	0	False	trepibutone
9307	338	0	0	False	hematin
9973	338	0	0	True	disperse_blue_106
10145	338	0	0	True	gestonorone_caproate
10255	338	1	0	False	oliceridine
10333	338	0	0	False	pf-06700841
10544	338	0	0	False	branebrutinib
10661	338	0	0	False	echinomycin
10794	338	0	0	False	etodolac_acyl_glucuronide
10940	338	0	0	False	16-alpha-hydroxyprednisolone
11069	338	0	0	False	17-hydroxypregnenolone_sulfate
11092	338	0	0	False	nicotine_glucuronide
11490	338	0	0	False	perindopril_acyl-beta-d-glucuronide
11751	338	0	0	False	teniposide_catechol_derivative
11944	338	0	0	False	inositol_trinicotinate
12213	338	0	0	False	teniposide_catechol
12308	338	0	0	False	nalmefene_3-o-glucuronide
12318	338	0	0	False	glucurinated_form_of_rilpivirine_(m7)
12590	338	0	0	False	prucalopride_hydroxylamine
12790	338	0	0	False	7alpha-thiospironolactone
13107	338	0	0	False	6αhydroxy-prednisolone_(m-vii)
13109	338	0	0	False	6βhydroxy-prednisolone(m-vi)
345	339	21	5	True	cefalotin
406	339	8	22	True	carteolol
564	339	42	92	True	amphotericin_b
653	339	58	164	True	etoposide
772	339	0	15	True	rimexolone
802	339	5	29	False	etretinate
851	339	1	11	True	lomefloxacin
1011	339	0	0	True	diclofenamide
1245	339	0	0	False	mmda
1268	339	0	0	False	ethylmethylthiambutene
1416	339	4	12	True	lincomycin
1429	339	0	0	False	{(4z)-2-[(1r_2r)-1-amino-2-hydroxypropyl]-4-[(4-amino-1h-indol-3-yl)methylene]-5-oxo-4_5-dihydro-1h-imidazol-1-yl}acetic_acid
1913	339	0	0	False	n-sulfo-flavin_mononucleotide
1920	339	0	0	False	2_5-dideoxy-2_5-imino-d-glucitol
2046	339	0	0	False	3_5_6_8-tetramethyl-n-methyl_phenanthrolinium
2312	339	0	0	False	7_8-dihydroxy-1-methoxy-3-methyl-10-oxo-4_10-dihydro-1h_3h-pyrano[4_3-b]chromene-9-carboxylic_acid
2481	339	0	0	False	4-{(z)-[2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1_5-dihydro-4h-imidazol-4-ylidene]methyl}benzenolate
2687	339	0	0	False	quisqualate
3381	339	0	0	False	4-(1h-imidazol-4-yl)-3-(5-ethyl-2_4-dihydroxy-phenyl)-1h-pyrazole
3680	339	0	0	False	n-cyclopentyl-n-cyclobutylformamide
3744	339	0	0	False	degraded_cephaloridine
3992	339	0	0	False	allosamizoline
4275	339	0	0	False	(3beta_7beta)-cholest-5-ene-3_7-diol
4302	339	0	0	False	citraconic_acid
4310	339	0	0	False	(2r)-2-{(1r)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5_6-dihydro-2h-1_3-thiazine-4-carboxylic_acid
4321	339	0	0	False	9-deazainosine-2'_3'-o-ethylidenephosphonate
4716	339	0	0	False	ciluprevir
4840	339	0	0	False	incadronic_acid
4961	339	1	0	False	robalzotan
5062	339	1	9	True	stanozolol
5068	339	0	0	False	sparteine
5124	339	0	1	True	lodoxamide
5136	339	1	0	True	plicamycin
5899	339	0	0	False	(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10)_2_4-trien-3-yl_sulfamate
6111	339	0	0	False	6-(3'_5'-dimethylbenzyl)-1-ethoxymethyl-5-isopropyluracil
6567	339	0	0	False	(5z)-12-chloro-13_15-dihydroxy-4_7_8_9-tetrahydro-2-benzoxacyclotridecine-1_10(3h_11h)-dione
6568	339	0	0	False	(5e)-12-chloro-13_15-dihydroxy-4_7_8_9-tetrahydro-2-benzoxacyclotridecine-1_10(3h_11h)-dione
6804	339	0	0	False	3_4-dihydroxy-9_10-secoandrosta-1(10)_2_4-triene-9_17-dione
6974	339	0	0	False	5-(5-(2_6-dichloro-4-(4_5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl_isoxazole
7938	339	0	0	False	epacadostat
8006	339	0	0	True	bictegravir
8271	339	0	0	False	ce-224535
8412	339	0	0	False	simendan
8705	339	13	0	False	tocotrienol
8757	339	3	0	False	sulprostone
8874	339	1	0	False	melarsoprol
9438	339	3	0	True	cyclopenthiazide
9539	339	0	0	False	acetoxolone
9867	339	5	0	False	asiatic_acid
10092	339	0	0	False	nandrolone_hydrogen_sulfate
10100	339	0	0	True	prednisolone_tebutate
10146	339	0	0	False	norethindrone_enanthate
10184	339	0	0	False	beta-isosparteine
10497	339	0	0	False	gdc-0077
11255	339	0	0	False	20-dihydrodydrogesterone
11370	339	0	0	False	desmethyl_frovatriptan
11379	339	0	0	False	diketopiperazine
11421	339	0	0	False	malathion_dicarboxylic_acid
12155	339	0	0	False	monodemethylated_mifepristone
12922	339	0	0	False	niacinamide_n-oxide
13012	339	0	0	False	enb753
13015	339	0	0	False	m1_glucuronide_(m5)
61	340	47	0	True	lipoic_acid
164	340	11	14	True	isradipine
328	340	4	61	True	cerivastatin
500	340	5	0	False	candoxatril
798	340	0	3	True	levosimendan
901	340	16	87	True	topotecan
1078	340	30	178	True	clarithromycin
1203	340	0	50	True	drospirenone
1274	340	0	0	False	17alpha-methyl-3beta_17beta-dihydroxyandrost-4-ene
1309	340	0	0	False	furazabol
1319	340	0	0	False	4-androstenediol
1800	340	0	0	False	amylamine
1985	340	0	0	False	7-deazaguanine
2030	340	0	0	False	(5r_6s_7s_8s)-5-hydroxymethyl-6_7_8-trihydroxy-tetrazolo[1_5-a]piperidine
2198	340	0	0	False	nojirimycine_tetrazole
3270	340	0	0	False	pyridoxal-5'-phosphate-n-oxide
3498	340	0	0	False	(4e_8e_12z_16z)-n_n_4_8_13_17_21-heptamethyldocosa-4_8_12_16_20-pentaen-1-amine
3513	340	0	0	False	n-[2-(1-formyl-2-methyl-propyl)-1-(4-piperidin-1-yl-but-2-enoyl)-pyrrolidin-3-yl]-methanesulfonamide
3617	340	0	0	False	butylphosphonate
4396	340	2	0	False	lysergic_acid_diethylamide
4496	340	0	0	False	rimiducid
4596	340	0	0	False	ncx_1022
4839	340	0	0	False	thioctic_acid_tromethamine
4855	340	0	0	False	torcetrapib
5187	340	0	0	False	3_6_9_12_15_18-hexaoxaicosane
5601	340	0	0	False	bms-564929
6014	340	0	0	False	(5s_8r_9s_10s_13r_14s_17s)-13-{2-[(3_5-difluorobenzyl)oxy]ethyl}-17-hydroxy-10-methylhexadecahydro-3h-cyclopenta[a]phenanthren-3-one
6028	340	0	0	False	1-methyl-3-trifluoromethyl-1h-thieno[2_3-c]pyrazole-5-carboxylic_acid_(2-mercapto-ethyl)-amide
6381	340	0	0	False	{[5-(5-nitro-2-furyl)-1_3_4-oxadiazol-2-yl]thio}acetic_acid
7028	340	0	0	False	2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1h-imidazol-4-ol
7766	340	0	0	True	prostalene
7863	340	1	0	False	candoxatrilat
8005	340	0	0	False	tanzisertib
8106	340	0	0	False	vatiquinone
8623	340	0	0	False	samidorphan
9328	340	0	0	False	rokitamycin
9816	340	0	0	False	nomegestrol_acetate
9964	340	0	0	True	zinc_dibutyldithiocarbamate
10149	340	0	0	False	cortisone
10426	340	0	0	False	fallypride
11085	340	0	0	False	cotinine_glucuronide
11154	340	0	0	False	thyroxine_glucuronide
11525	340	0	0	False	7-hydroxylorcaserin
11885	340	0	0	False	γ-hydroxybendamustine_(bendamustine_metabolite_m3)
12445	340	0	0	False	d-xylulose-5-phosphate
12505	340	0	0	False	r406_n-glucuronide
12536	340	0	0	False	20α­-dihydrosegesterone_acetate
12594	340	0	0	False	n-desalkyl_prucalopride
12919	340	0	0	False	o-desmethyl__apremilast_glucuronide
68	341	0	1	True	adenine
261	341	8	60	True	cidofovir
473	341	12	0	True	lisuride
639	341	33	38	True	tetracycline
818	341	4	29	True	zalcitabine
976	341	2	0	True	trilostane
1247	341	0	0	False	dimethylthiambutene
1340	341	1	0	False	drotebanol
1653	341	0	0	False	2-amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one
2394	341	0	0	False	inhibitor_bea428
2497	341	0	0	False	n-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide
2738	341	0	0	False	4-piperidino-piperidine
2759	341	0	0	False	3-amino-4-{3-[2-(2-propoxy-ethoxy)-ethoxy]-propylamino}-cyclobut-3-ene-1_2-dione
2911	341	0	0	False	2_3-dihydroxy-5-oxo-hexanedioate
3082	341	0	0	False	2_4-deoxy-4-guanidino-5-n-acetyl-neuraminic_acid
3338	341	0	0	False	cyclohexanol
3622	341	0	0	False	2_6-diamino-8-(2-dimethylaminoethylsulfanylmethyl)-3h-quinazolin-4-one
4571	341	0	0	False	anecortave_acetate
4914	341	0	0	False	avasimibe
4968	341	0	0	False	p-57as3
5713	341	0	0	False	azapropazone
6480	341	0	0	False	(1r)-menthyl_hexyl_phosphonate_group
6481	341	0	0	False	(1s)-menthyl_hexyl_phosphonate_group
7265	341	1	0	True	edoxaban
8360	341	0	0	False	squaric_acid_dibutyl_ester
8660	341	0	0	False	azd-1480
8954	341	0	0	False	cp-547632
8975	341	0	0	False	larotaxel
9264	341	0	0	False	flurithromycin
9291	341	2	0	False	cloricromen
10051	341	0	0	True	hydrocortisone_aceponate
10459	341	0	0	False	tomivosertib
10943	341	0	0	False	14-hydroxyclarithromycin
10954	341	0	0	False	3'-demethyletoposide
10991	341	0	0	False	7-hydroxygranisetron
11042	341	0	0	False	4-hydroxyclonidine
11088	341	0	0	False	nornicotine
11184	341	0	0	False	4-hydroxyestrone_sulfate
11334	341	0	0	False	abiraterone_sulfate
11538	341	0	0	False	indacaterol-8-o-glucuronide
11572	341	0	0	False	doxorubicine_hydroxyaglycone
11606	341	0	0	False	5_6-dihydroxythalidomide
11753	341	0	0	False	etoposide_catechol
12463	341	0	0	False	bms-558364
12535	341	0	0	False	5α-dihydrosegesterone_acetate
12546	341	0	0	False	ethinylestradiol-4-hydroxyl-3-sulfate
12548	341	0	0	False	ethinylestradiol-16-hydroxyl-3-sulfate
12802	341	0	0	False	tamsulosin_m-2-glu_metabolite
12806	341	0	0	False	tamsulosin_m-3-glu_metabolite
193	342	0	0	True	tenofovir_disoproxil
220	342	9	153	True	hydromorphone
283	342	40	29	True	nimodipine
319	342	0	0	True	cefpiramide
338	342	5	1	True	dipivefrin
533	342	6	152	True	stavudine
1006	342	1	0	True	cefapirin
1044	342	11	70	True	idarubicin
1211	342	20	35	True	danazol
1246	342	0	0	False	19-nor-5-androstenedione
1271	342	0	0	False	bolasterone
1324	342	0	0	False	desomorphine
1336	342	0	0	False	18-methyl-19-nortestosterone
1357	342	0	0	False	calusterone
1923	342	0	0	False	malonic_acid
2022	342	3	0	False	protoporphyrin
2265	342	0	0	False	pyrrole-2-carboxylate
2480	342	0	0	False	beta-3-cysteine
3313	342	0	0	False	2_3-dihydroxy-valerianic_acid
3388	342	0	0	True	doconexent
3416	342	0	0	False	(5-hydroxy-6-methyl-4-{[(e)-(3-oxo-1_2-oxazolidin-4-ylidene)amino]methyl}-3-pyridinyl)methyl_dihydrogen_phosphate
4059	342	0	0	False	cp-166572__2-hydroxymethyl-4-(4-n_n-dimethylaminosulfonyl-1-piperazino)-pyrimidine
4581	342	0	0	False	atl-2502
6618	342	0	0	False	(5z)-13-chloro-14_16-dihydroxy-3_4_7_8_9_10-hexahydro-1h-2-benzoxacyclotetradecine-1_11(12h)-dione
7074	342	1	0	False	taurochenodeoxycholic_acid
7075	342	13	0	False	tauroursodeoxycholic_acid
7093	342	0	0	False	cis-diamminechlorocholylglycinateplatinum(ii)
7297	342	1	0	True	stiripentol
7462	342	0	0	False	kitasamycin
7997	342	0	0	False	radafaxine
8538	342	0	0	False	tavilermide
9143	342	0	0	False	teclozan
9491	342	0	0	False	calcium_pangamate
9743	342	0	0	False	demegestone
10083	342	0	0	True	segesterone_acetate
10565	342	7	96	False	menaquinone
10909	342	0	0	False	hydromorphone
11074	342	0	0	False	malonic_acid
11378	342	0	0	False	cis-hydroxy_perhexiline
11428	342	0	0	False	monohydroxyperhexiline
11492	342	0	0	False	perindoprilat_glucuronide
11564	342	0	0	False	8-hyroxydesmethyl_clomipramine
11925	342	0	0	False	se-methylselenocysteine_selenoxide
11932	342	0	0	False	m3_(odanacatib)
11999	342	0	0	False	trans-hydroxyperhexilline
12267	342	0	0	False	fenthion_oxon
12297	342	0	0	False	thymoquinol
12461	342	0	0	False	asunaprevir_m10
12530	342	0	0	False	7-hydroxycitronellol
13085	342	0	0	False	3_5-bis-(2-methylpropiononitrile)-benzoic_acid
13100	342	0	0	False	deaminated_n_n′-didebutyl-dronedarone_glucuronide
609	343	6	54	True	rocuronium
647	343	1	0	False	benzquinamide
676	343	51	123	True	gentamicin
865	343	0	0	True	methyl_aminolevulinate
1095	343	85	179	True	paclitaxel
2165	343	0	0	False	aminomethylcyclohexane
2520	343	0	0	False	phosphonoacetic_acid
2914	343	0	0	False	(s)-2-amino-3-(1_3_5_7-pentahydro-2_4-dioxo-cyclopenta[e]pyrimidin-1-yl)_proionic_acid
3390	343	0	0	False	radicicol
3997	343	0	0	False	naphthalene_trisulfonate
4031	343	0	0	False	5-(3_3-dihydroxypropeny)-3-methoxy-benzene-1_2-diol
4097	343	0	0	False	dipyrromethane_cofactor
4536	343	0	0	False	aminocandin
4553	343	0	0	False	pracinostat
4837	343	0	0	False	fluasterone
4901	343	6	9	True	oxymetholone
4973	343	0	0	False	celgosivir
5467	343	0	0	False	(7s)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1_5_6_7-tetrahydro-4h-pyrrolo[3_2-c]pyridin-4-one
6081	343	0	0	False	1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[5-[2-[[6-(1h-1_2_4-triazol-5-ylamino)pyrimidin-4-yl]amino]ethyl]-1_3-thiazol-2-yl]urea
6839	343	0	0	False	4-bromo-2-{[(3r_5s)-3_5-dimethylpiperidin-1-yl]carbonyl}aniline
6965	343	0	0	False	2_6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2n-methyl-2h-tetrazol-5-yl]-phenol
6967	343	0	0	False	2_6-dimethyl-1-(3-[3-methyl-5-isoxazolyl]-propanyl)-4-[2-methyl-4-isoxazolyl]-phenol
7233	343	1	0	False	cytisine
7302	343	0	0	True	medrogestone
7375	343	4	0	True	moxisylyte
7407	343	0	0	False	niludipine
7738	343	0	0	True	gamithromycin
8194	343	0	0	False	dinaciclib
8274	343	58	0	False	epigallocatechin_gallate
8647	343	1	0	False	pexacerfont
8683	343	0	0	False	bms-188797
8847	343	1	0	False	amithiozone
9081	343	4	0	False	resolvin_e1
9581	343	0	0	False	quingestanol
9809	343	0	0	True	patent_blue
10147	343	0	0	False	quingestanol_acetate
10267	343	0	0	False	retagliptin
10337	343	0	0	False	edasalonexent
10601	343	0	0	False	navoximod
10875	343	0	0	False	3-methylxanthine
11002	343	0	0	False	norhydrocodone
11183	343	0	0	False	2-hydroxyestrone_sulfate
11952	343	0	0	False	4-hydroxyestr-4-en-3_17-dione_(m2)
12211	343	0	0	False	6α-hydroxypaclitaxel
12320	343	0	0	False	ether_glucuronide_dolutegravir_(m2)
12416	343	0	0	False	l-iduronic_acid
12420	343	0	0	False	4-hydroxytegafur
12793	343	0	0	False	3alpha-hydroxythiomethylspironolactone
12794	343	0	0	False	3beta-hydroxythiomethylspironolactone
13047	343	0	0	False	gemfibrozil_m2_metabolite
102	344	27	208	True	azithromycin
217	344	0	47	True	fluorometholone
305	344	0	0	True	metocurine_iodide
712	344	21	39	True	mifepristone
770	344	0	0	True	testolactone
1165	344	0	0	True	metocurine
1331	344	0	0	False	acetyldihydrocodeine
1546	344	0	0	False	methylumbelliferyl_sialic_acid
1675	344	0	0	False	n-methylmesoporphyrin
2109	344	0	0	False	d-gluconhydroximo-1_5-lactam
2249	344	0	0	False	d-galactohydroximo-1_5-lactam
2545	344	0	0	False	n-pyridoxyl-1-amino-cyclopropanecarboxylic_acid-5-monophosphate
2772	344	0	0	False	5-hydroxymethyl-chonduritol
2792	344	0	0	False	6-(2-oxo-hexahydro-thieno[3_4-d]imidazol-4-yl)-hexanoic_acid
2959	344	0	0	False	thiarsa_dihydroxy_cysteine
2998	344	0	0	False	2-pyridinethiol
3046	344	0	0	False	s-oxy-l-cysteine
3163	344	0	0	False	1-ethoxy-2-(2-methoxyethoxy)ethane
3214	344	13	0	False	butyric_acid
3367	344	0	0	False	xylarohydroxamate
3678	344	0	0	False	2-methylleucine
4427	344	8	57	True	nebivolol
4530	344	0	0	False	pleconaril
4888	344	2	0	False	alamifovir
6080	344	0	0	False	(3r_5z_8s_9s_11e)-8_9_16-trihydroxy-14-methoxy-3-methyl-3_4_9_10-tetrahydro-1h-2-benzoxacyclotetradecine-1_7(8h)-dione
6246	344	0	0	False	5-acetamido-5_6-dihydro-4-hydroxy-6-isobutoxy-4h-pyran-2-carboxylic_acid
7163	344	0	0	False	indenolol
7313	344	0	0	True	technetium_tc-99m_mebrofenin
7862	344	0	0	True	dehydrocholic_acid
7886	344	0	0	False	evacetrapib
7890	344	0	0	True	latanoprostene_bunod
8214	344	0	0	False	atopaxar
8337	344	0	0	False	atamestane
8359	344	0	0	False	lurtotecan
8518	344	0	0	False	anagliptin
8586	344	0	0	False	clascoterone
9372	344	0	0	False	thebacon
9430	344	1	0	False	veralipride
9483	344	1	0	False	rociverine
9769	344	0	0	False	volixibat
9788	344	0	0	False	2_5-dimethoxy-4-ethylthioamphetamine
9892	344	0	0	False	acetylcysteine_magnesium
9994	344	0	0	False	acetylcysteine_zinc
10225	344	0	0	False	topramezone
10658	344	0	0	False	cryptotanshinone
10941	344	0	0	False	1-pyrimidinylpiperazine
11271	344	0	0	False	3-hydroxynevirapine_glucuronide
11325	344	0	0	False	6α__3'-p-dihydroxypaclitaxel
11330	344	0	0	False	8-hydroxynevirapine_glucuronide
11337	344	0	0	False	albendazole_sulfoxide
11384	344	0	0	False	doxorubicinol_deoxaglycone
11388	344	0	0	False	ethisterone
12212	344	0	0	False	3′-p-hydroxypaclitaxel
12315	344	0	0	False	glucurinated_form_of_rilpivirine_(m6)
12722	344	0	0	False	desvenlafaxine_o-glucuronide
12741	344	0	0	False	sitagliptin_unnamed_metabolite
14	345	0	0	False	histidine
219	345	0	0	True	calcium_glucoheptonate
599	345	8	0	True	adefovir_dipivoxil
1052	345	4	3	True	fluoxymesterone
1073	345	21	49	True	lomustine
1125	345	4	185	True	sitagliptin
1237	345	0	0	False	19-norandrostenedione
1285	345	0	0	False	4-hydroxytestosterone
1603	345	0	0	False	ap-22408
1678	345	0	0	False	s-hydroxycysteine
1797	345	0	0	False	2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol
2597	345	0	0	False	beta-3-serine
2696	345	0	0	False	5-fluoro-beta-l-gulosyl_fluoride
2757	345	0	0	False	(diphosphono)aminophosphonic_acid
3412	345	0	0	False	n-(1-adamantyl)-n'-(4-guanidinobenzyl)urea
4458	345	0	0	False	vapreotide
4604	345	0	0	False	org-34517
4772	345	0	26	True	spiramycin
4867	345	0	0	False	apoptone
5410	345	0	0	False	(2s_3s)-3-amino-4-(3_3-difluoropyrrolidin-1-yl)-n_n-dimethyl-4-oxo-2-(trans-4-[1_2_4]triazolo[1_5-a]pyridin-6-ylcyclohexyl)butanamide
5453	345	0	0	False	(2s_3s)-3-amino-4-[(3s)-3-fluoropyrrolidin-1-yl]-n_n-dimethyl-4-oxo-2-(trans-4-[1_2_4]triazolo[1_5-a]pyridin-5-ylcyclohexyl)butanamide
5906	345	0	0	False	(6ar_11as_11br)-10-acetyl-9-hydroxy-7_7-dimethyl-2_6_6a_7_11a_11b-hexahydro-11h-pyrrolo[1'_2':2_3]isoindolo[4_5_6-cd]indol-11-one
6582	345	0	0	False	succinic_acid_mono-(13-methyl-3-oxo-2_3_6_7_8_9_10_11_12_13_14_15_16_17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)_ester
7215	345	1	1	False	cefaloridine
7343	345	0	0	False	brifentanil
7485	345	0	0	False	acetrizoic_acid
8170	345	0	0	False	pf-03463275
8331	345	0	0	False	abacavir_hydroxyacetate
8403	345	0	0	False	seviteronel
8614	345	0	0	False	cevipabulin
8781	345	0	0	False	cc-115
8825	345	0	0	False	mrx-i
9358	345	2	0	False	niceritrol
9602	345	0	0	False	ciclonicate
10187	345	9	0	False	remdesivir
10263	345	0	0	False	obicetrapib
10316	345	0	0	False	pimodivir
10650	345	2	0	True	prednisolone_acetate
10664	345	0	0	False	org-31710
11105	345	0	0	False	epinephrine_sulfate
11164	345	0	0	False	25-hydroxyvitamin_d2-25-glucuronide
11176	345	0	0	False	25-hydroxyvitamin_d2_25-(beta-glucuronide)
11916	345	0	0	False	1_10-n-diacetyltriethylenetetramine
11976	345	0	0	False	qs6
12232	345	0	0	False	6-hydroxubufuralol
12514	345	0	0	False	10-o-demethylemetine
12571	345	0	0	False	etoperidone_m17
12740	345	0	0	False	sitagliptin_m2_and_m5_metabolites
13102	345	0	0	False	6β-hydroxyfluorocortisol
13111	345	0	0	False	6β_11β_17α_20β_21-pentahydroxy-5ξ-pregn-1-en-3-one_(m-xv)
13114	345	0	0	False	6β_11β_17α_20α_21-pentahydroxy-5ξ-pregn-1-en-3-one_(m-xvi)
113	346	12	208	True	moxifloxacin
914	346	3	110	True	gatifloxacin
966	346	20	92	True	rosuvastatin
1302	346	0	0	False	1-androstenediol
1317	346	0	0	False	androstenediol
1333	346	0	0	False	17alpha-methyl-4-hydroxynandrolone
1344	346	4	75	True	dihydrocodeine
1362	346	0	0	False	formebolone
1666	346	0	0	False	nd1-phosphonohistidine
1733	346	0	0	False	2-amino-3-[5-(amino-carboxy-methyl)-2_3-dihydro-isoxazol-3-ylsulfanyl]-propionic_acid
2170	346	0	0	False	dioxyselenocysteine
2401	346	0	0	False	glycocholic_acid
2643	346	0	0	False	(carboxyhydroxyamino)ethanoic_acid
2897	346	0	0	False	diphthamide
3168	346	0	0	False	(s)-2-amino-3-(4h-selenolo[3_2-b]-pyrrol-6-yl)-propionic_acid
3424	346	0	0	False	2-dehydropantoate
3760	346	0	0	False	4-methyl-histidine
3920	346	0	0	False	2-amino-3-(cystein-s-yl)-isoxazolidin-5-yl-acetic_acid
4118	346	0	9	True	cholesterol
4471	346	1	12	True	clevidipine
4858	346	0	107	True	amisulpride
4916	346	0	0	False	diethylnorspermine
5092	346	0	0	True	drotaverine
5366	346	0	0	False	n-[(2r)-5-(aminosulfonyl)-2_3-dihydro-1h-inden-2-yl]-2-propylpentanamide
5491	346	0	0	False	6-(2_4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2_2-dimethyl-2h-1_4-benzoxazin-3(4h)-one
5979	346	0	0	False	(9alpha_13beta_17beta)-2-[(1z)-but-1-en-1-yl]estra-1_3_5(10)-triene-3_17-diol
5980	346	0	0	False	(9s_12s)-9-(1-methylethyl)-7_10-dioxo-2-oxa-8_11-diazabicyclo[12.2.2]octadeca-1(16)_14_17-triene-12-carboxylic_acid
6005	346	0	0	False	(9beta_11alpha_13alpha_14beta_17alpha)-11-(methoxymethyl)estra-1(10)_2_4-triene-3_17-diol
6090	346	0	0	False	(3r)-3-(fluoromethyl)-n-(3_3_3-trifluoropropyl)-1_2_3_4-tetrahydroisoquinoline-7-sulfonamide
6153	346	0	0	False	4-[(cyclopropylethynyl)oxy]-6-fluoro-3-isopropylquinolin-2(1h)-one
6475	346	0	0	False	(1r)-2-[(cyanomethyl)amino]-1-({[2-(difluoromethoxy)benzyl]sulfonyl}methyl)-2-oxoethyl_morpholine-4-carboxylate
6881	346	0	0	False	2-[carboxy-(2-thiophen-2-yl-acetylamino)-methyl]-5-methylene-5_6-dihydro-2h-[1_3]thiazine-4-carboxylic_acid
7142	346	0	0	False	arsthinol
7718	346	1	0	True	coumaphos
7891	346	0	0	False	rabusertib
7933	346	0	0	False	trigonellamide
8085	346	2	0	False	prulifloxacin
8201	346	10	0	False	chlorogenic_acid
8352	346	2	0	False	landiolol
8602	346	8	0	False	raclopride
9312	346	2	0	False	emetine
9489	346	1	0	False	mesterolone
10261	346	0	0	False	iqp-0528
11032	346	0	0	False	alpha-dihydrotetrabenazine
11095	346	0	0	False	3'-hydroxycotinine
11102	346	0	0	False	6-hydroxydopamine
11238	346	0	0	False	2-amino-5_6-dichloro-3_4_-dihydroquinazoline
11336	346	0	0	False	albendazole_sulfone
11345	346	0	0	False	b-dihydrotetrabenazine
11888	346	0	0	False	dihydroxy-bendamustine_(bendamustine_metabolite_hp2)
11910	346	0	0	False	[+]-α-htbz
12170	346	0	0	False	2'-hydroxynicotine
12512	346	0	0	False	cephaeline
12540	346	0	0	False	4__5-dihydro-17α-deacetylsegesterone_acetate
12644	346	0	0	False	16-alpha-hydroxy-17-beta-dihydro_equilin
12720	346	0	0	False	benzyl_hydroxy_desvenlafaxine
12965	346	0	0	False	6-α-hydrocodol
12966	346	0	0	False	6-β-hydrocodol
13050	346	0	0	False	3-hydroxydesloratadine_glucuronide
13066	346	0	0	False	6β-hydroxymedroxyprogesterone_acetate_(m-2)
308	347	3	51	True	miglustat
543	347	7	38	True	acamprosate
863	347	1	191	True	exemestane
1083	347	7	343	True	finasteride
1256	347	0	0	False	19-nor-5-androstenediol
1329	347	0	0	False	androstenedione
1365	347	0	0	False	methyl-1-testosterone
1592	347	0	0	False	phosphoenolpyruvate
1740	347	0	0	False	3_6-anhydro-d-galactose-2-sulfate
1961	347	0	0	False	3-cyclohexyl-1-propylsulfonic_acid
2041	347	0	0	False	4_5-dehydro-d-glucuronic_acid
2318	347	0	0	False	2_6-diamino-8-propylsulfanylmethyl-3h-quinazoline-4-one
2441	347	0	0	False	4-deoxy-d-mannuronic_acid
2716	347	0	0	False	adamantane-1-carboxylic_acid-5-dimethylamino-naphthalene-1-sulfonylamino-octyl-amide
3076	347	0	0	False	5-thio-a-b-d-mannopyranosylamine
3618	347	0	0	False	bromo-willardiine
3772	347	0	0	False	1_4-deoxy-4-((5-hydroxymethyl-2_3_4-trihydroxycyclohex-5-enyl)amino)fructose
3944	347	0	0	True	taurocholic_acid
4306	347	0	0	False	motuporin
4423	347	0	0	False	brasofensine
4608	347	0	0	False	mln-977
4627	347	0	0	False	7-ethyl-10-hydroxycamptothecin
4635	347	0	0	False	cobiprostone
4846	347	0	0	False	amrubicin
5211	347	0	0	False	5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1_3_4-thiadiazole-2-sulfonamide
5686	347	0	0	False	androsta-1_4-diene-3_17-dione
6155	347	0	0	False	(5s)-2-(cyclooctylamino)-5-methyl-5-propyl-1_3-thiazol-4(5h)-one
6525	347	0	0	False	6-(cyclohexylmethoxy)-8-isopropyl-9h-purin-2-amine
6809	347	0	0	False	progesterone-11-alpha-ol-hemisuccinate
6944	347	1	0	False	ubiquinone-2
7168	347	1	2	False	hexoprenaline
7207	347	0	0	False	cyclopentamine
7238	347	0	0	True	eliglustat
7401	347	1	0	False	darodipine
7586	347	19	50	True	calcium_gluconate
7596	347	0	0	True	manganese_gluconate
7645	347	0	0	True	copper_gluconate
7646	347	0	8	True	zinc_gluconate
7996	347	0	0	False	hyodeoxycholic_acid
8534	347	0	0	False	tipelukast
8544	347	0	0	False	nadifloxacin
8588	347	0	0	False	abt-384
9056	347	0	0	False	lcb01-0371
9520	347	0	10	True	potassium_gluconate
9638	347	0	15	True	magnesium_gluconate
9712	347	0	0	False	etohexadiol
9765	347	0	0	True	bismuth_subgallate
9836	347	1	0	True	pentetic_acid
10003	347	0	0	True	ferrous_gluconate
10041	347	0	0	True	chromium_gluconate
10089	347	0	0	True	edetate_disodium_anhydrous
10250	347	1	0	False	lucerastat
10273	347	0	0	False	adafosbuvir
10461	347	0	0	False	pf-06260414
10512	347	0	0	False	petesicatib
10536	347	0	0	False	rovatirelin
10626	347	0	0	False	zuranolone
10876	347	0	0	False	norzolmitripan
10992	347	0	0	False	6β-hydroxymedroxyprogesterone
11415	347	0	0	False	ketotifen-n-glucuronide
11635	347	0	0	False	sn-38
12233	347	0	0	False	1'2'-ethenylbufuralol
12319	347	0	0	False	glucurinated_form_of_rilpivirine_(m5)
12336	347	0	0	False	m2_(blonanserin)
12363	347	0	0	False	glucuronide_of_deacetyl-thymoxamine
12539	347	0	0	False	17α-deacetylsegesterone_acetate
12544	347	0	0	False	ethinylestradiol-3-sulfate
12621	347	0	0	False	cvt-2512
285	348	2	85	True	carisoprodol
487	348	22	0	True	medroxyprogesterone_acetate
1077	348	3	5	True	levobunolol
1459	348	0	0	False	[2-(1-amino-2-hydroxy-propyl)-4-(4-fluoro-1h-indol-3-ylmethyl)-5-hydroxy-imidazol-1-yl]-acetic_acid
1540	348	0	0	False	acetoacetic_acid
1903	348	0	0	False	3-sulfino-l-alanine
1921	348	0	0	False	co(iii)-(deuteroporphyrin_ix)
2124	348	0	0	False	oxiranpseudoglucose
2979	348	0	0	False	n-cyclohexyltaurine
3272	348	0	0	False	3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1_4-dienyl)-alanine
3287	348	0	0	False	2_3-di-o-phytanyl-sn-glycerol
3854	348	1	0	False	tretazicar
4617	348	3	0	False	pozanicline
4795	348	0	0	False	valtorcitabine
4842	348	2	0	False	bimoclomol
4986	348	0	0	False	nemonoxacin
5049	348	0	0	True	gadofosveset_trisodium
5429	348	0	0	False	(4s_5e_7z_10z_13z_16z_19z)-4-hydroxydocosa-5_7_10_13_16_19-hexaenoic_acid
7222	348	4	2	True	canrenoic_acid
7878	348	0	0	False	incyclinide
8242	348	0	0	False	gefarnate
8260	348	0	0	False	uk-396_082
8462	348	1	0	False	rostafuroxin
9324	348	0	0	False	mefruside
9603	348	1	0	False	metenolone
10052	348	2	0	True	hydrocortisone_acetate
10055	348	0	0	True	hydrocortisone_phosphate
10247	348	0	0	False	azd-8848
10279	348	0	0	False	ceralasertib
10604	348	0	0	True	elexacaftor
10736	348	0	0	False	8-hydroxynevirapine
10845	348	0	0	False	ketobemidone_n-oxide
11935	348	0	0	False	succinic_semialdehyde
12166	348	0	0	False	8-oh-nevirapine
12338	348	0	0	False	m4_(blonanserin)
12480	348	0	0	False	trihydroxybenzylhydrazine
12500	348	0	0	False	3-(4-hydroxymethylbenzylidene)camphor
13069	348	0	0	False	1_2-dehydromedroxyprogesterone_acetate_(m-5)
94	349	17	149	True	erythromycin
340	349	19	188	True	levothyroxine
397	349	2	0	True	dextrothyroxine
514	349	21	1393	True	alendronic_acid
704	349	5	2	True	natamycin
705	349	4	2	True	cinoxacin
761	349	4	16	True	risedronic_acid
1377	349	39	0	True	ursodeoxycholic_acid
1492	349	0	0	False	porphyrin_fe(iii)
1694	349	0	0	False	arylomycin_a2
2008	349	0	0	False	dimethylallyl_s-thiolodiphosphate
2078	349	0	0	False	3_6_9_12_15-pentaoxaheptadecane
2283	349	0	0	False	beta-d-fructopyranose
2309	349	0	0	False	abequose
2682	349	0	0	False	8-methyl-9-oxoguanine
2727	349	0	0	False	(s)-2-amino-3-(6h-selenolo[2_3-b]-pyrrol-4-yl)-propionic_acid
2777	349	0	0	False	pmp-hydroxyisoxazole__pyridoxamine-5-phosphate-hydroxyisoxazole
2879	349	1	0	False	pyrroloquinoline_quinone
2958	349	0	0	False	5-chloro-1h-indole-2-carboxylic_acid{[cyclopentyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-amide
3233	349	0	0	False	alpha-ketomalonic_acid
3601	349	0	0	False	{[2-amino-4-oxo-6_7-di(sulfanyl-κs)-3_5_5a_8_9a_10-hexahydro-4h-pyrano[3_2-g]pteridin-8-yl]methyl_dihydrogenato(2-)_phosphate}(dioxo)sulfanylmolybdenum
3626	349	0	0	False	bis(5-amidino-benzimidazolyl)methane_zinc
3644	349	0	0	False	tyvelose
3656	349	0	0	False	n-(2-morpholin-4-yl-1-morpholin-4-ylmethyl-ethyl)-3-nitro-5-(3_4_5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-benzamide
4223	349	6	0	False	corticosterone
4298	349	0	0	False	gentamicin_c1a
4711	349	0	0	False	osi-7836
4734	349	2	0	False	amitifadine
4785	349	0	0	False	plevitrexed
4868	349	0	0	False	refametinib
4984	349	0	0	False	estradiol_sulfamate
5054	349	4	3	True	methyltestosterone
5109	349	2	0	True	chenodeoxycholic_acid
5709	349	0	0	False	(5s)-5-(2-amino-2-oxoethyl)-4-oxo-n-[(3-oxo-3_4-dihydro-2h-1_4-benzoxazin-6-yl)methyl]-3_4_5_6_7_8-hexahydro[1]benzothieno[2_3-d]pyrimidine-2-carboxamide
6192	349	0	0	False	(1ar_8s_13s_14s_15ar)-5_13_14-trihydroxy-3-methoxy-8-methyl-8_9_13_14_15_15a-hexahydro-6h-oxireno[k][2]benzoxacyclotetradecine-6_12(1ah)-dione
6244	349	0	0	False	(2-carbamoylmethyl-5-propyl-octahydro-indol-7-yl)acetic_acid
6457	349	0	0	False	(2e_4e)-11-methoxy-3_7_11-trimethyldodeca-2_4-dienoic_acid
6708	349	0	0	False	6-bromo-13-thia-2_4_8_12_19-pentaazatricyclo[12.3.1.1~3_7~]nonadeca-1(18)_3(19)_4_6_14_16-hexaene_13_13-dioxide
6854	349	0	0	False	4-[(1s_2r_5s)-4_4_8-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
6979	349	0	0	False	5-(3-(2_6-dichloro-4-(4_5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl_isoxazole
7583	349	0	2	True	chloroxylenol
7653	349	0	0	True	diacetyl_benzoyl_lathyrol
7990	349	0	0	False	birinapant
8017	349	0	0	False	talaporfin
8090	349	0	0	False	mk-8776
8169	349	0	0	False	omarigliptin
8328	349	2	0	False	gepirone
8372	349	0	0	False	estetrol
8505	349	0	0	False	pumosetrag
8645	349	0	0	False	cc-223
8992	349	0	3	False	cortivazol
9078	349	0	0	False	azd-8418
9095	349	0	0	False	deferitazole
9153	349	0	0	False	sulfobromophthalein
10058	349	4	0	True	hydrocortisone_succinate
11080	349	0	0	False	pregnenolone_sulfate
11220	349	0	0	False	3beta-hydroxypregn-5-en-20-one_sulfate
11270	349	0	0	False	3-hydroxymelatonin
11621	349	0	0	False	4-hydroxy-2_6-dimethylaniline
12044	349	0	0	False	5-{[(2s_3s)-3-(4-fluorophenyl)-2-hydroxymorpholin-4-yl]methyl}-2_4-dihydro-1_2_4-triazol-3-one
12542	349	0	0	False	δ1-cortienic_acid_(pj-90)
12803	349	0	0	False	tamsulosin_m-4-glu_metabolite
13190	349	0	0	False	remdesivir_nucleoside_monophosphate
208	350	6	48	True	zolmitriptan
621	350	58	130	True	hydrocortisone
1518	350	0	0	False	phosphorylcolamine
1794	350	0	0	False	d-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-n_o-cycloserylamide
1979	350	0	0	False	4-(methylsulfanyl)-2-oxobutanoic_acid
2100	350	0	0	False	(1n)-4-n-butoxyphenylsulfonyl-(2r)-n-hydroxycarboxamido-(4s)-methanesulfonylamino-pyrrolidine
2149	350	0	0	False	ethyl_oxo(piperidin-1-yl)acetate
2518	350	0	0	False	canaline
2523	350	0	0	False	7-(1_1-dioxo-1h-benzo[d]isothiazol-3-yloxymethyl)-2-(oxalyl-amino)-4_7-dihydro-5h-thieno[2_3-c]pyran-3-carboxylic_acid
3020	350	0	0	False	s-arsonocysteine
3177	350	0	0	False	n-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3-[(2-thiophen-2-ylacetyl)amino]-5-[(2r_3r_4s_5r_6r)-3_4_5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
3364	350	0	0	False	s-2-(boronoethyl)-l-cysteine
3443	350	0	0	False	difluoromethionine
3488	350	0	0	False	tetrahydrooxazine
3533	350	0	0	False	s_s'-(1_3-phenylene-bis(1_2-ethanediyl))bis-isothiourea
3689	350	0	0	False	alpha-ketoisovalerate
3715	350	8	0	False	3-methyladenine
3906	350	0	0	False	5-hydroxy-n-propargyl-1(r)-aminoindan
3931	350	0	0	False	6-hydroxydopa_quinone
4101	350	0	0	False	gshna
4340	350	0	0	False	methyl_(3r)-3-{[(3r)-3-{[(3r)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoate
4443	350	3	0	False	voglibose
4528	350	0	0	False	an-9
4701	350	4	0	False	prasterone_sulfate
4702	350	0	0	False	ns-2359
5120	350	19	0	True	hydroxyprogesterone_caproate
5218	350	0	0	False	n-{2-[6-(2_4-diamino-6-ethylpyrimidin-5-yl)-2_2-dimethyl-3-oxo-2_3-dihydro-4h-1_4-benzothiazin-4-yl]ethyl}acetamide
5890	350	0	0	False	n-(1-cyanocyclopropyl)-3-({[(2s)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-n~2~-[(1s)-2_2_2-trifluoro-1-(4-fluorophenyl)ethyl]-l-alaninamide
5901	350	0	0	False	2_3_6a_7_8_9-hexahydro-11h-[1_4]dioxino[2_3-g]pyrrolo[2_1-b][1_3]benzoxazin-11-one
6033	350	0	0	False	n-[1-(5-bromo-2_3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
6274	350	0	0	False	2-(acetyl-hydroxy-amino)-4-methyl-pentanoic_acid_methyl_ester
6316	350	0	0	False	(5r)-n_n-diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4_5_6_7-tetrahydro-1-benzothiophene-3-carboxamide
6939	350	0	0	False	1-(1_4-dimethyl-1_2_3_4-tetrahydroquinoxalin-6-yl)methanamine
6945	350	0	0	False	ethyl_3-[(e)-2-amino-1-cyanoethenyl]-6_7-dichloro-1-methyl-1h-indole-2-carboxylate
7051	350	0	0	False	tymazoline
7084	350	0	0	False	gs_0573
7102	350	0	0	True	gabapentin_enacarbil
7234	350	0	0	True	vorapaxar
7280	350	0	15	True	tixocortol
7403	350	5	27	True	lacidipine
7720	350	0	0	True	danofloxacin
7957	350	0	0	False	famitinib
8153	350	0	0	False	vilaprisan
8280	350	0	0	False	namitecan
8517	350	0	0	False	vtp-27999
8695	350	0	0	False	bms-184476
8761	350	5	0	False	pilsicainide
8790	350	0	0	False	n-omega-nitro-l-arginine_methyl_ester
8939	350	2	46	False	phloroglucinol
9006	350	0	0	False	apratastat
10209	350	0	0	False	pf-06821497
10543	350	0	0	False	glpg-1205
10645	350	0	0	False	leptazoline_d
10944	350	0	0	False	n-desmethylclarithromycin
11030	350	0	0	False	3-hydroxyguanfacine_glucuronide
11086	350	0	0	False	dehydroepiandrosterone_sulfate
11165	350	0	0	False	vitamin_d2_3-glucuronide
11247	350	0	0	False	2-hydroxynevirapine_glucuronide
11297	350	0	0	False	4-hydroxy-alprenolol
11466	350	0	0	False	n_o-didesmethylvenlafaxine_glucuronide
11656	350	0	0	False	gemfibrozil_1-beta-glucuronide
11732	350	0	0	False	montelukast_metabolite_m1
11802	350	0	0	False	3-hydroxymorphinan_sulfate
11872	350	0	0	False	m4
11887	350	0	0	False	monohydroxy-bendamustine_(bendamustine_metabolite_hp1)
12033	350	0	0	False	2-oh-almotriptan
12066	350	0	0	False	4-[(2-oxo-3_4-_dihydro-1h-quinolin-7-yl)oxy]butanal
12231	350	0	0	False	4-hydroxybufuralol
12348	350	0	0	False	m-1
12693	350	0	0	False	palbociclib_m6
12784	350	0	0	False	pravastatin_glucuronide
13093	350	0	0	False	11β-hydroxy-testosterone
92	351	50	36	True	troglitazone
101	351	25	8	True	reserpine
257	351	0	2	True	grepafloxacin
1000	351	0	2	True	tiludronic_acid
1062	351	13	81	True	flecainide
1299	351	0	0	False	oxabolone
1314	351	0	0	False	clostebol
1840	351	0	0	False	3_5-difluorobenzenesulfonamide
1958	351	0	0	False	s-methylcysteine
2163	351	0	0	False	{[(2_2-dihydroxy-ethyl)-(2_3_4_5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic_acid
3246	351	0	0	False	glucaric_acid
3720	351	0	0	False	[4-(1_3_2-dioxaborolan-2-yloxy)methyl]benzamidine
3874	351	0	0	False	8_9-dichloro-2_3_4_5-tetrahydro-1h-benzo[c]azepine
4262	351	0	0	False	(13s)-13-methyldodecahydro-1h-cyclopenta[a]phenanthrene-3_17(2h_4h)-dione
4264	351	0	0	False	farnesyl_thiopyrophosphate
4452	351	0	0	False	brecanavir
4531	351	0	0	False	16-bromoepiandrosterone
4732	351	1	0	False	enmd-1198
4936	351	1	0	True	prucalopride
5004	351	0	0	False	anacetrapib
5009	351	5	77	True	dalfampridine
5184	351	0	0	False	2-(3-carboxypropionyl)-6-hydroxy-cyclohexa-2_4-diene_carboxylic_acid
5312	351	0	0	False	(2s_3s)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1_2_4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine
5377	351	0	0	False	n-{2-[6-(2_4-diamino-6-ethylpyrimidin-5-yl)-2_2-dimethyl-3-oxo-2_3-dihydro-4h-1_4-benzoxazin-4-yl]ethyl}acetamide
5399	351	0	0	False	(2r)-4-[(8r)-8-methyl-2-(trifluoromethyl)-5_6-dihydro[1_2_4]triazolo[1_5-a]pyrazin-7(8h)-yl]-4-oxo-1-(2_4_5-trifluorophenyl)butan-2-amine
5558	351	0	0	False	(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl_1h-pyrrolo[2_3-b]pyridine-3-carboxylate
6556	351	0	0	False	(1s_3r_4s_5s_7s)-4-{[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino}adamantane-1-carboxamide
6645	351	0	0	False	4_4'-bis([h]methylsulfonyl)-2_2'_5_5'-tetrachlorobiphenyl
6812	351	2	0	False	7_8-dichloro-1_2_3_4-tetrahydroisoquinoline
6866	351	0	0	False	(5r)-5-(4-{[(2r)-6-hydroxy-2_5_7_8-tetramethyl-3_4-dihydro-2h-chromen-2-yl]methoxy}benzyl)-1_3-thiazolidine-2_4-dione
8358	351	1	20	False	canrenone
9208	351	0	0	True	micronomicin
9434	351	1	0	False	chlormadinone
9574	351	0	0	False	dihexyverine
9749	351	1	0	False	dehydroemetine
9824	351	0	0	False	dipropyl-4-hydroxytryptamine
9833	351	0	0	True	alpha-tocopherol_succinate
10246	351	0	0	False	parsaclisib
10414	351	0	0	False	altropane_i-123
10721	351	0	0	False	4-ene-valproic_acid
10727	351	0	0	False	(3z)-2-propylpent-3-enoic_acid_(3z-ene-vpa)
10728	351	0	0	False	(3e)-2-propylpent-3-enoic_acid_(3e-ene-vpa)
11117	351	0	0	False	norepinephrine_sulfate
11566	351	0	0	False	8-hydroxyclomipramine_glucuronide
11945	351	0	0	False	inositol_dinicotinate
11951	351	0	0	False	oxabolone
12189	351	0	0	False	4-oh-riluzole
12537	351	0	0	False	3α__5α-tetrahydrosegesterone_acetate
12538	351	0	0	False	3β__5α-tetrahydrosegesterone_acetate
12791	351	0	0	False	canrenone
12879	351	0	0	False	sumatriptan_metabolite_ester_glucuronide_of_gr49336
393	352	2	0	True	levallorphan
665	352	22	167	True	acyclovir
735	352	0	0	False	drostanolone
1001	352	0	0	True	desoxycorticosterone_pivalate
1159	352	0	0	True	cefonicid
1252	352	0	0	False	1-androstenedione
1258	352	0	0	False	2_5-dimethoxy-4-(n)-propylthiophenethylamine
1657	352	0	0	False	16_17-androstene-3-ol
1755	352	0	0	False	3-methylpyridine
2635	352	0	0	False	carpropamide
2655	352	0	0	False	fluoro-willardiine
2871	352	0	0	False	6-hydroxymethylpterin
3038	352	0	0	False	modified_ribosylated_glutamyl_ester
3051	352	0	0	False	n-hydroxy-n-isopropyloxamic_acid
3131	352	0	0	False	reactive_red_1_dye
3212	352	2	0	False	spermidine
3215	352	0	0	False	4_5-dehydro-l-iduronic_acid
3568	352	0	0	False	d-xylulose
3615	352	0	0	False	l-histidinol_phosphate
4483	352	0	0	False	altropane
4614	352	0	0	False	smilagenin
4781	352	0	0	False	tesofensine
4933	352	0	0	False	sumanirole
5018	352	0	0	False	tas-106
5061	352	0	23	True	fosaprepitant
5972	352	0	0	False	2-[1-methylhexyl]-4_6-dinitrophenol
6051	352	0	0	False	(9as)-4-bromo-9a-butyl-7-hydroxy-1_2_9_9a-tetrahydro-3h-fluoren-3-one
6585	352	0	0	False	6-cyclohexylmethyloxy-5-nitroso-pyrimidine-2_4-diamine
7010	352	0	0	False	[(3r_4s_5s_7r)-4_8-dihydroxy-3_5_7-trimethyl-2-oxooctyl]phosphonic_acid
7749	352	0	0	True	mibolerone
7966	352	0	0	False	cabotegravir
8049	352	0	0	False	cadazolid
8128	352	2	0	True	delafloxacin
8228	352	0	0	False	volasertib
9294	352	0	0	False	bromisoval
9804	352	1	0	False	trestolone_acetate
10084	352	0	0	False	segesterone
10094	352	0	0	False	pregnenolone_acetate
10218	352	0	0	False	pf-232798
10227	352	0	0	False	uproleselan
10386	352	4	0	False	18-methoxycoronaridine
11129	352	0	0	False	retinoyl_b-glucuronide
11177	352	0	0	False	(23s)-23_25-dihdroxy-24-oxovitamine_d3_23-(beta-glucuronide)
11181	352	0	0	False	4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone
11673	352	0	0	False	4-hydroxyvoriconazole_4-o-glucuronide
11832	352	0	0	False	17β_21-hydroxyprogesterone
11886	352	0	0	False	n-desmethyl-bendamustine_(bendamustine_metabolite_m4)
12196	352	0	0	False	n-desmethyl_sildenafil
12311	352	0	0	False	nornalmefene_3-o-glucuronide
12900	352	0	0	False	8-hydroxy-acyclovir
91	353	25	197	True	fluconazole
238	353	7	63	True	alfuzosin
380	353	1	23	True	miglitol
384	353	21	365	True	zidovudine
513	353	4	6	True	guanabenz
799	353	0	0	True	ceforanide
1281	353	0	0	False	1-testosterone
1402	353	0	0	True	amyl_nitrite
1498	353	0	0	False	2-propenyl-n-acetyl-neuramic_acid
2440	353	0	0	False	purvalanol
2821	353	0	0	False	4-methyl-5-hydroxyethylthiazole_phosphate
3026	353	0	0	False	m-(n_n_n-trimethylammonio)-2_2_2-trifluoro-1_1-dihydroxyethylbenzene
3161	353	0	0	False	9-deazaadenine
3230	353	0	0	False	(3r_4r_5s_6r)-6-fluoro-3_4_5-trihydroxytetrahydro-2h-pyran-2-olate
3834	353	0	0	False	7_10_13-tri(carboxymethyl)-5_15-dioxo-4_7_10_13_16-pentaaza-1_19-dithianonadecane
3972	353	0	0	False	allantoate
4435	353	1	0	False	olcegepant
4752	353	0	0	False	snx-5422
5337	353	0	0	False	n-[(5r_14r)-5-amino-5_14-dimethyl-4-oxo-3-oxa-18-azatricyclo[15.3.1.1~7_11~]docosa-1(21)_7(22)_8_10_17_19-hexaen-19-yl]-n-methylmethanesulfonamide
5341	353	0	0	False	(1r)-2-[(diaminomethylene)amino]-1-{4-[(4r)-4-(hydroxymethyl)-1_3_2-dioxaborolan-2-yl]phenyl}ethyl_nicotinate
5390	353	0	0	False	(1s_2r_5s)-5-[3-(trifluoromethyl)-5_6-dihydro[1_2_4]triazolo[4_3-a]pyrazin-7(8h)-yl]-2-(2_4_5-trifluorophenyl)cyclohexanamine
5400	353	0	0	False	1_1_1_3_3_3-hexafluoro-2-{4-[(2_2_2-trifluoroethyl)amino]phenyl}propan-2-ol
5593	353	0	0	False	2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide
5659	353	0	0	False	3_6_9_12_15-pentaoxaheptadecan-1-ol
5860	353	0	0	False	hydroxy(oxo)(2-{(1s)-2_2_2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammonium
6179	353	0	0	False	4-{[(14beta_17alpha)-3-hydroxyestra-1_3_5(10)-trien-17-yl]oxy}-4-oxobutanoic_acid
6315	353	0	0	False	n_n-diethyl-2-[(2-thienylcarbonyl)amino]-4_5_6_7-tetrahydro-1-benzothiophene-3-carboxamide
6764	353	0	0	False	diethyl_propane-1_3-diylbiscarbamate
7226	353	2	18	True	bromhexine
7855	353	0	0	True	velpatasvir
8137	353	0	0	False	pf-04447943
8175	353	0	0	False	vosaroxin
8325	353	0	0	False	apitolisib
8397	353	0	0	False	carmegliptin
8818	353	0	0	False	furaprevir
9488	353	3	0	False	metandienone
10413	353	0	0	False	pf-06650833
10448	353	0	0	False	jnj-26489112
10733	353	0	0	False	4-hydroxyvoriconazole
10739	353	0	0	False	vicriviroc_hydroxylamine
10843	353	0	0	False	reduced_ketobemidone
10958	353	0	0	False	6-beta-hydrocortisol
11124	353	0	0	False	testosterone_sulfate
11274	353	0	0	False	3-keto_fusidic_acid
11372	353	0	0	False	di-hydroxymelatonin
11453	353	0	0	False	n-desthienylethyl-rotigotine
11487	353	0	0	False	para-o-glucuronide_rosiglitazone
11565	353	0	0	False	2-hydroxyclomipramine_glucuronide
11569	353	0	0	False	8-hyroxydesmethyl_clomipramine_glucuronide
12004	353	0	0	False	(r)-(-)-mexiletine__m-hydroxyl
12072	353	0	0	False	o-desmethyl-brofaromine
12224	353	0	0	False	hydroxymethyl_voriconazole
12711	353	0	0	False	linagliptin_m504(2)
12725	353	0	0	False	dabigatran_2-o-acylglucuronide_metabolite
12726	353	0	0	False	dabigatran_3-o-acylglucuronide_metabolite
12727	353	0	0	False	dabigatran_4-o-acylglucuronide_metabolite
57	354	0	0	True	valine
269	354	4	20	True	dydrogesterone
379	354	26	56	True	buspirone
495	354	4	16	True	butorphanol
508	354	33	180	True	testosterone
642	354	0	72	True	irinotecan
918	354	2	138	True	abacavir
1444	354	0	0	False	1'-deazo-thiamin_diphosphate
1530	354	0	0	False	3_3'_5_5'-tetraiodothyroacetic_acid
1639	354	0	0	False	1_4-dithio-alpha-d-glucopyranose
1894	354	0	0	False	pyridoxamine-5'-phosphate
2195	354	0	0	False	12-phenylheme
2515	354	0	0	False	iodo-willardiine
3178	354	0	0	False	ru79073
3207	354	0	0	False	cyclohexylformamide
3483	354	0	0	False	1_4-dithio-beta-d-glucopyranose
3785	354	0	0	False	4-(3_14-dihydroxy-10_13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-5h-furan-2-one
3845	354	0	0	False	n-pyridoxyl-2-methylalanine-5-phosphate
4040	354	0	0	False	2_2-dichloro-1-methanesulfinyl-3-methyl-cyclopropanecarboxylic_acid_[1-(4-bromo-phenyl)-ethyl]-amide
4071	354	0	0	False	3-(mercaptomethylene)pyridine
4362	354	0	0	False	thenoyltrifluoroacetone
4454	354	0	0	False	bicifadine
4568	354	2	34	True	rotigotine
4799	354	0	0	True	pixantrone
4905	354	0	0	False	annamycin
4963	354	0	0	False	minodronic_acid
4976	354	0	0	False	fipamezole
5380	354	0	0	False	n-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1_2-dihydropyrrolo[1_2-b]pyridazin-3-yl]-1_1-dioxido-2h-1_2_4-benzothiadiazin-7-yl}methanesulfonamide
5998	354	0	0	False	3-carboxamido-1_3_5(10)-estratrien-17(r)-spiro-2'(5'_5'-dimethyl-6'oxo)tetrahydropyran
6062	354	0	0	False	epitestosterone
6372	354	0	0	False	lgd-2226
6898	354	0	0	False	(2r_6s)-6-{[methyl(3_4_5-trimethoxyphenyl)amino]methyl}-1_2_5_6_7_8-hexahydroquinazoline-2_4-diamine
7003	354	0	0	False	n-[(1s)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
7087	354	22	0	False	ellagic_acid
7125	354	1	0	True	formestane
7319	354	0	0	True	uridine_triacetate
7378	354	0	21	True	pholcodine
7893	354	0	0	False	psilocybin
8061	354	0	0	False	brivanib_alaninate
8442	354	1	0	False	ifetroban
8472	354	0	0	True	diaminopropanol_tetraacetic_acid
8738	354	0	0	False	k-134
8816	354	10	50	True	benserazide
8828	354	0	0	False	chf-6001
9201	354	0	0	False	cefatrizine
9531	354	0	0	False	methoserpidine
9847	354	0	0	False	clinafloxacin
9906	354	0	0	False	13-cis-12-(3'-carboxyphenyl)retinoic_acid
10323	354	3	0	False	fytic_acid
10377	354	0	0	False	rogaratinib
10454	354	0	0	False	mk-0736
10569	354	0	0	False	elenbecestat
10619	354	0	0	False	iscotrizinol
10737	354	0	0	False	3-hydroxynevirapine
10859	354	0	0	False	3-hydroxylidocaine
10952	354	0	0	False	norerythromycin
11163	354	0	0	False	dextrorphan_o-glucuronide
11317	354	0	0	False	6-methyl-griseofulvin
11473	354	0	0	False	o-desmethyl-tramado_glucuronide
11568	354	0	0	False	2-hydroxydesmethyl_clomipramine_glucuronide
11716	354	0	0	False	donepezil_metabolite_m8
11855	354	0	0	False	gs-56650
11929	354	0	0	False	m10_(odanacatib)
12167	354	0	0	False	3-oh-nevirapine
12190	354	0	0	False	5-oh-riluzole
12321	354	0	0	False	hydroxilated_form_of_dolutegravir_(m3)
12401	354	0	0	False	n-desbenzylbenidipine
12506	354	0	0	False	r529_o-glucuronide
12691	354	0	0	False	palbociclib_m14
12710	354	0	0	False	linagliptin_m506(1)
12733	354	0	0	False	ortho-hydroxyatorvastatin_glucuronide
12986	354	0	0	False	n-acetyl-4-aminophenol
13097	354	0	0	False	phenol-dronedarone_glucuronide
13112	354	0	0	False	6β_11β_17α_21-tetrahydroxy-5ξ-pregn-1-en-3_20-dione_(m-xiv)
194	355	9	38	True	flucloxacillin
353	355	3	2	True	sodium_tetradecyl_sulfate
819	355	0	0	True	demecarium
948	355	21	77	True	vigabatrin
1207	355	20	38	True	neostigmine
1589	355	0	0	False	castanospermine
1969	355	0	0	False	4_5-dihydroxy-tetrahydro-pyran-2-carboxylic_acid
1972	355	0	0	False	immucillin-g
2373	355	1	0	True	cholic_acid
2385	355	0	0	False	(4as_6r_8as)-11-[8-(1_3-dioxo-1_3-dihydro-2h-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5_6_9_10-tetrahydro-4ah-[1]benzofuro[3a_3_2-ef][2]benzazepin-11-ium
2594	355	2	0	False	stanolone
2934	355	0	0	False	1_6-diaminohexane
3538	355	0	0	False	2-amino-3-ketobutyric_acid
3816	355	0	0	False	(2r_3r_4r_5r_6r)-3-fluoro-2_4-dihydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1r_2r)-1_2_3-trihydroxypropyl]oxane-2-carboxylic_acid
4007	355	0	0	False	2-amino-4-mercapto-butyric_acid
4150	355	0	0	True	estrone_sulfate
4919	355	1	0	False	lonafarnib
5207	355	0	0	False	[(3s)-3-(methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1_2_3_4-tetrahydro-7-isoquinolinyl]sulfamic_acid
5277	355	0	0	False	5-(5-chloro-2_4-dihydroxyphenyl)-n-ethyl-4-piperazin-1-yl-1h-pyrazole-3-carboxamide
5404	355	0	0	False	4-[(1s_2s_5s)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
5755	355	0	0	False	5beta-dihydrotestosterone
5825	355	0	0	False	(2r)-2-ethyl-1-hexanesulfonic_acid
6016	355	0	0	False	[(3r)-3-(methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1_2_3_4-tetrahydro-7-isoquinolinyl]sulfamic_acid
6171	355	0	0	False	4-{4-[2-(1a_7a-dimethyl-4-oxy-octahydro-1-oxa-4-aza-cyclopropa[a]naphthalen-4-yl)_-acetylamino]-phenylcarbamoyl}-butyric_acid
6299	355	0	0	False	4-(6-chloro-2_4-dioxo-1_2_3_4-tetrahydropyrimidin-5-yl)_butyl_phosphate
7098	355	0	6	True	ulipristal
7507	355	0	0	True	selenomethionine_se-75
7714	355	0	0	True	cefalonium
7861	355	0	0	False	neridronic_acid
7908	355	0	0	False	tofimilast
7999	355	0	0	False	mirodenafil
8188	355	0	0	False	axelopran
9045	355	0	0	False	ly-2811376
9202	355	0	0	True	ritiometan
9510	355	0	0	False	flumedroxone
9766	355	0	0	True	valproate_bismuth
10201	355	0	0	False	fenebrutinib
10814	355	0	0	False	hydromorphone_3-beta-o-glucuronide
10832	355	0	0	False	7-β-hydroxygliclazide
10899	355	0	0	False	5'-hydroxytenoxicam
10916	355	0	0	False	o-desmethyltramadol
11077	355	0	0	False	homocysteine
11098	355	0	0	False	estrone_sulfate
11126	355	0	0	False	dihydrotestosterone
11399	355	0	0	False	hydromorphone-3-glucuronide
11819	355	0	0	False	indapamide_metabolite_m6
11953	355	0	0	False	4-hydroxyestran-3_17-dione_(m1)
12216	355	0	0	False	15alpha-hydroxytestosterone
12217	355	0	0	False	15beta-hydroxytestosterone
12419	355	0	0	False	3-hydroxytegafur
12554	355	0	0	False	m1a_(alectinib)
12589	355	0	0	False	desmethyl_prucalopride_acid
12649	355	0	0	False	milnacipran_carbamoyl_o-glucuronide
12993	355	0	0	False	hydromorphone_glucuronide_conjugate
29	356	0	0	False	serine
183	356	20	97	True	bleomycin
471	356	0	0	False	cinalukast
831	356	3	138	True	hydrocodone
1481	356	0	0	False	(4e)-4-aminohex-4-enoic_acid
1777	356	4	0	False	fidarestat
1841	356	0	0	False	norleucine_phosphonate
1854	356	0	0	False	(s_r)-fidarestat
2524	356	0	0	False	5-fluorolevulinic_acid
2795	356	0	0	False	5-bromo-n-[(2s)-2_3-dihydroxypropoxy]-3_4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
2956	356	0	0	False	c-(1-azido-alpha-d-glucopyranosyl)_formamide
3551	356	0	0	True	d-serine
4656	356	0	0	False	bedoradrine
4745	356	0	0	False	amg-222
4751	356	0	0	False	azd-8330
4762	356	0	0	False	3_4-methylenedioxy-n-isopropylamphetamine
5067	356	1	0	False	bufuralol
5111	356	0	0	True	desoxycorticosterone_acetate
5515	356	0	0	False	(2s_4s_5r)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1_3-thiazol-2-yl)pyrrolidine-2_4-dicarboxylic_acid
5894	356	0	0	False	n1-cyclopentyl-n2-(thiazol-2-yl)oxalamide
6004	356	2	0	False	2-hydroxyestradiol
6034	356	0	0	False	(3r)-3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1_2_3_4-tetrahydroisoquinoline
6358	356	0	0	False	4-(2-amino-1_3-thiazol-4-yl)pyrimidin-2-amine
6723	356	0	0	False	4-(3_5-dimethylphenoxy)-5-(furan-2-ylmethylsulfanylmethyl)-3-iodo-6-methylpyridin-2(1h)-one
7199	356	0	0	False	epirizole
7239	356	0	0	True	efinaconazole
7487	356	10	0	True	piperonyl_butoxide
7786	356	1	0	True	xylazine
7870	356	0	24	True	nomegestrol
8031	356	1	0	True	ertugliflozin
8143	356	0	0	False	azd-1236
8547	356	2	0	False	propyl_gallate
8636	356	0	0	False	ec-17
8698	356	0	0	False	pu-h71
8819	356	0	1	False	norethandrolone
8924	356	0	1	False	theodrenaline
9138	356	0	0	False	oxabolone_cipionate
9213	356	5	0	True	carbocromen
9396	356	0	0	False	quinbolone
9533	356	0	0	False	pentifylline
9754	356	0	0	False	albendazole_oxide
9759	356	2	0	False	brofaromine
10072	356	0	0	False	hydroxyprogesterone
10481	356	0	0	False	vorolanib
10492	356	0	0	False	tak-580
10564	356	0	0	False	flutriciclamide_f-18
10806	356	0	0	False	suprofen_glucuronide
10850	356	0	0	False	2-hydroxyestradiol
10861	356	0	0	False	6-hydroxymelatonin
10862	356	0	0	False	2-hydroxymexiletine
11003	356	0	0	False	n-desalkyludenafil
11094	356	0	0	False	norcotinine
11162	356	0	0	False	retinyl_beta-glucuronide
11475	356	0	0	False	ortho-o-glucuronide_rosiglitazone
11521	356	0	0	False	20__22-dihydrodigoxigenin
11830	356	0	0	False	21-hydroxyprogesterone
11831	356	0	0	False	17beta-hydroxyprogesterone
12005	356	0	0	False	(r)-(-)-mexiletine__2-oh-hydroxymethyl
12178	356	0	0	False	17beta-oh-progesterone
12179	356	0	0	False	21-oh-progesterone
12183	356	0	0	False	quinidine-n-oxide
12193	356	0	0	False	3-oh-ropivacaine
12296	356	0	0	False	p-cymene-2_3-diol
12573	356	0	0	False	etoperidone_m8
12599	356	0	0	False	glasdegib_m6
13068	356	0	0	False	1β-hydroxymedroxyprogesterone_acetate_(m-3)
172	357	11	40	True	argatroban
330	357	35	198	True	gemcitabine
398	357	0	0	True	acetyldigitoxin
847	357	7	0	True	edetic_acid
1279	357	0	0	False	ba-2664
1308	357	0	0	False	17alpha-methyl-3beta_17beta-dihydroxy-5alpha-androstane
1330	357	0	0	False	4-bromo-2_5-dimethoxyphenethylamine
1746	357	0	0	True	cocarboxylase
1872	357	0	0	False	6-amino-4-hydroxymethyl-cyclohex-4-ene-1_2_3-triol
1986	357	0	0	False	hydrolyzed_cephalothin
2310	357	0	0	False	5_6-dimethylbenzimidazole
2412	357	6	0	True	fusidic_acid
2453	357	0	0	False	pyromellitic_acid
3499	357	0	0	False	thieno[2_3-b]pyridine-2-carboxamidine
4447	357	0	0	False	edotecarin
4478	357	0	0	False	tagatose
4523	357	1	0	False	ganaxolone
4698	357	0	0	False	arylacenamide
4708	357	0	0	False	trestolone
4786	357	0	0	False	fosdevirine
4841	357	0	0	False	he-2200
4948	357	6	0	False	resiniferatoxin
5103	357	5	55	True	bendamustine
5163	357	0	0	False	diethyl_[(1r)-1_5-diaminopentyl]boronate
5527	357	0	0	False	(2r)-2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}propene-1-sulfonamide
6065	357	0	0	False	[(3_7_11-trimethyl-dodeca-2_6_10-trienyloxycarbamoyl)-methyl]-phosphonic_acid
6183	357	0	0	False	alpha-hydroxyfarnesylphosphonic_acid
6193	357	0	0	False	[(3r)-7-nitro-1_2_3_4-tetrahydroisoquinolin-3-yl]methanol
6350	357	0	0	False	4-[(2-{4-[(cyclopropylcarbamoyl)amino]-1h-pyrazol-3-yl}-1h-benzimidazol-6-yl)methyl]morpholin-4-ium
6660	357	0	0	False	(6s)-6-cyclopentyl-6-[2-(3-fluoro-4-isopropoxyphenyl)ethyl]-4-hydroxy-5_6-dihydro-2h-pyran-2-one
7272	357	0	29	True	ivabradine
7324	357	0	0	True	florbetapir_(18f)
7457	357	2	75	True	butylscopolamine
7481	357	0	0	True	propoxycaine
7654	357	0	0	True	bisoctrizole
7904	357	0	0	False	galidesivir
8490	357	2	0	False	10-hydroxycamptothecin
8605	357	0	0	False	toreforant
8651	357	0	0	False	azd-3043
8795	357	0	0	False	pelitrexol
8905	357	0	0	False	fiacitabine
9010	357	1	0	False	mk-8245
9072	357	0	0	False	gacyclidine
9347	357	0	0	False	tolonidine
9586	357	0	0	False	acetyldigoxin
9667	357	0	0	False	guanoclor
9782	357	0	0	False	ligandrol
10383	357	0	0	False	psicose
10433	357	0	0	False	gdc-0084
11040	357	0	0	False	lamotrigine-2-n-glucuronide
11135	357	0	0	False	estradiol-17beta_3-sulfate
11474	357	0	0	False	o-desmethylvenlafaxine_glucuronide
12290	357	0	0	False	n-desmethylrosuvastatin
12364	357	0	0	False	glucuronide_of_deacetyl-demethyl-thymoxamine
12389	357	0	0	False	aranidipine_m-1
12581	357	0	0	False	acemetacin-acyl-beta-d-glucuronide
12703	357	0	0	False	linagliptin_m531(1)
12709	357	0	0	False	linagliptin_m490(1)
12724	357	0	0	False	dabigatran_1-o-acylglucuronide_metabolite
12775	357	0	0	False	aripiprazole_unnamed_metabolite_9
13016	357	0	0	False	1-beta-hydroxy-4'-o-demethyl_istradefylline_(m2)
11	358	3	0	True	pyridoxal_phosphate
155	358	5	46	True	anagrelide
509	358	2	137	True	efavirenz
834	358	21	21	True	pindolol
873	358	22	145	True	salbutamol
973	358	3	58	True	sibutramine
993	358	4	102	True	dutasteride
1182	358	1	0	True	mestranol
1477	358	0	0	False	d-tartaric_acid
1490	358	14	6	True	prasterone
2010	358	0	0	False	porphobilinogen
2168	358	0	0	False	3-o-methylfructose_in_linear_form
2550	358	0	0	False	aetiocholanolone
2793	358	0	0	False	3-fluoro-2-(phosphonooxy)propanoic_acid
2915	358	0	0	False	1-amino-1-carbonyl_pentane
2991	358	0	0	False	4-amino-2-deoxy-2_3-didehydro-n-acetylneuraminic_acid
3904	358	0	0	False	l-gluconic_acid
4088	358	0	0	False	methyl(6s)-1-thio-l-manno-hexodialdo-6_2-pyranoside
4137	358	0	0	False	4-acetamido-2_4-didexoy-d-glycero-beta-d-galacto-octopyranosylphosphonic_acid
4149	358	5	7	True	estriol
4161	358	0	0	False	dehydro-2(s)-amino-6-boronohexanoic_acid
4515	358	0	77	True	indacaterol
4658	358	0	0	False	prx-03140
4783	358	2	0	False	rubitecan
4996	358	1	0	False	amdoxovir
5717	358	0	0	False	(4r)-n-[4-({[2-(dimethylamino)ethyl]amino}carbonyl)-1_3-thiazol-2-yl]-4-methyl-1-oxo-2_3_4_9-tetrahydro-1h-beta-carboline-6-carboxamide
5969	358	0	0	False	3-(4-diethylamino-2-hydroxy-phenyl)-2-methyl-propionic_acid
6000	358	0	0	False	17alpha-estriol
6166	358	0	0	False	8-(6-bromo-benzo[1_3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine
6173	358	0	0	False	isopropyl_(2s)-2-ethyl-7-fluoro-3-oxo-3_4-dihydroquinoxaline-1(2h)-carboxylate
6483	358	0	0	False	7-[2-methoxy-1-(methoxymethyl)ethyl]-7h-pyrrolo[3_2-f]_quinazoline-1_3-diamine
6867	358	0	0	False	4-({(2r_5s)-2_5-dimethyl-4-[(2r)-3_3_3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile
6973	358	0	0	False	5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl_isoxazole
7058	358	4	0	False	cinitapride
7283	358	0	0	True	podophyllin
7355	358	2	5	True	viloxazine
7412	358	1	0	False	toloxatone
7497	358	0	0	True	indocyanine_green_acid_form
7521	358	0	0	False	l-tartaric_acid
7597	358	1	0	True	selenomethionine
7636	358	0	0	True	enzacamene
7813	358	0	0	True	melengestrol
8141	358	0	0	False	brivanib
8185	358	0	0	True	fostamatinib
8364	358	0	0	False	tetulomab_tetraxetan_lu-177
8368	358	0	0	False	temefos
8380	358	0	0	False	cp-601927
8600	358	0	0	False	9-aminocamptothecin
8952	358	0	0	False	incb-9471
9109	358	0	56	True	levosalbutamol
9126	358	0	15	False	nandrolone
9134	358	0	0	True	gluconic_acid
9159	358	0	0	True	apronalide
9168	358	0	0	False	gestonorone
9177	358	0	0	False	neltenexine
9439	358	0	0	False	methylestrenolone
9991	358	0	0	False	sorbitan
10185	358	0	0	False	meso-tartaric_acid
10217	358	0	0	False	azd-1656
10244	358	0	0	False	pf-06815345
10451	358	0	0	False	uprifosbuvir
10489	358	0	0	False	butafenacil
10617	358	0	0	False	tallimustine
10687	358	0	0	False	sulfamethoxazole_n1-glucuronide
10918	358	0	0	False	6-hydroxychlorzoxazone
11061	358	0	0	False	estriol
11142	358	0	0	False	5a-dihydrotestosterone_sulfate
11218	358	0	0	False	tolmetin_glucuronide
11323	358	0	0	False	6_7-dichloro-3-hydroxy-1_5_dihydro-imidazo[2_1-b]quinazolin-2-one
11433	358	0	0	False	n-acetyl_desmethyl_frovatriptan
11890	358	0	0	False	[18f]av-160_(desmethyl-[18f]av-45)
12010	358	0	0	False	(2r)-2-(tert-butylamino)-1-(3-chloro-5-hydroxyphenyl)propan-1-one
12523	358	0	0	False	ezetimibe_glucuronide
13087	358	0	0	False	5-alpha_androsterone
13091	358	0	0	False	1β-hydroxy-testosterone
13151	358	0	0	False	5-beta_tetrahydrocortisol
13152	358	0	0	False	5-alpha_tetrahydrocortisol
298	359	12	0	True	remoxipride
1323	359	0	0	False	5alpha-androstane-3alpha_17beta-diol
1354	359	0	0	False	androstanedione
1614	359	0	0	False	4_6-dideoxyglucose
1699	359	0	0	False	5-amidino-benzimidazole
1893	359	0	0	False	s_s'-(1_4-phenylene-bis(1_2-ethanediyl))bis-isothiourea
2275	359	0	0	False	glutathionylspermidine_disulfide
2406	359	0	0	False	hydroxyaminovaline
2488	359	0	2	True	pregnenolone
2512	359	0	0	False	3'-deazo-thiamin_diphosphate
2921	359	0	0	True	flavin_mononucleotide
3196	359	0	0	False	3-deoxy-α-d-manno-oct-2-ulopyranosonic_acid
3302	359	0	0	False	vitamin_b6_complexed_with_2-amino-pentanoic_acid
3505	359	0	0	False	5-alpha-androstane-3-beta_17beta-diol
3548	359	0	0	False	5-alpha-androstane-3-beta_17-alpha-diol
3963	359	0	0	False	s-sulphocysteine
3979	359	0	0	False	1-hydroxy-2-amino-3-cyclohexylpropane
4205	359	0	0	False	n-ethyl-n-[3-(propylamino)propyl]propane-1_3-diamine
4793	359	1	0	False	talabostat
4899	359	2	0	False	morphine_glucuronide
5439	359	0	0	False	4-({4-[(4-aminobut-2-ynyl)oxy]phenyl}sulfonyl)-n-hydroxy-2_2-dimethylthiomorpholine-3-carboxamide
5547	359	5	0	False	veliparib
5557	359	0	0	False	(4r)-7_8-dichloro-1'_9-dimethyl-1-oxo-1_2_4_9-tetrahydrospiro[beta-carboline-3_4'-piperidine]-4-carbonitrile
5592	359	0	0	False	2-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
5688	359	0	0	False	5-beta-androstane-3_17-dione
6054	359	0	0	False	3-[(1e_7e)-8-(2_6-dioxo-1_2_3_6-tetrahydropyrimidin-4-yl)-3_6-dioxa-2_7-diazaocta-1_7-dien-1-yl]benzoic_acid
6068	359	0	0	False	3'_5'-dibromo-2'_4_4'_6'-tetrahydroxy_aurone
6327	359	0	0	False	abt-341
6583	359	0	0	False	3-({2-[(4-{[6-(cyclohexylmethoxy)-9h-purin-2-yl]amino}phenyl)sulfonyl]ethyl}amino)propan-1-ol
6734	359	0	0	False	tert-butyl_4-(3-thiophen-2-yl-1_2_4-oxadiazol-5-yl)piperidine-1-carboxylate
6742	359	0	0	False	n-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic_diamide
7029	359	0	0	False	6-morpholin-4-yl-9h-purine
7167	359	0	0	False	hydroxydione
7357	359	0	0	False	lortalamine
7377	359	0	0	False	as-8112
7430	359	0	0	False	cimetropium
7478	359	0	0	True	alatrofloxacin
7939	359	0	0	True	encorafenib
8058	359	0	0	False	litronesib
8096	359	0	0	False	sutezolid
8249	359	1	5	False	oxitropium
8301	359	2	19	False	menatetrenone
8418	359	0	0	False	barusiban
8469	359	0	0	False	biib021
8497	359	0	0	False	fanapanel
8806	359	4	0	False	lafutidine
8993	359	0	0	False	mavoglurant
9052	359	0	0	False	gdc-0349
9320	359	1	0	False	metildigoxin
9582	359	0	0	False	clometocillin
9634	359	0	0	False	piromidic_acid
9649	359	0	0	False	niperotidine
10994	359	0	0	False	1β-hydroxymedroxyprogesterone
11035	359	0	0	False	morphine-6-glucuronide
11226	359	0	0	False	codeine-6-glucuronide
11450	359	0	0	False	n-despropyl_ropinirole
11522	359	0	0	False	5-hydroxylorcaserin
11801	359	0	0	False	3-hydroxymorphinan_o-glucuronide
12043	359	0	0	False	1-[3_5-bis(trifluoromethyl)phenyl]ethanone
12214	359	0	0	False	2alpha-hydroxytestosterone
12215	359	0	0	False	2beta-hydroxytestosterone
12353	359	0	0	False	m2_ertugliflozin
12467	359	0	0	False	5'-hydroxytegafur
12700	359	0	0	False	3-alpha-androstanediol
12701	359	0	0	False	3-beta-androstenediol
12704	359	0	0	False	linigliptin_m531(2)
12723	359	0	0	False	desvenlafaxine_n-oxide
12796	359	0	0	False	atenolol-glucuronide_conjugate
13017	359	0	0	False	3’_4’-o-didemethyl_istradefylline_(m3)
13086	359	0	0	False	5-alpha_androstanedione
13088	359	0	0	False	5-alpha_androstanediol
13089	359	0	0	False	5alpha-androstane-3alpha_17beta-diol
13090	359	0	0	False	5alpha-androstane-3beta_17beta-diol
23	360	3	0	False	spermine
850	360	20	538	True	ethinylestradiol
876	360	13	74	True	ganciclovir
1106	360	17	200	True	epoprostenol
1131	360	9	242	True	sunitinib
1187	360	1	21	True	procaterol
1243	360	1	0	True	gamma-hydroxybutyric_acid
1334	360	0	0	True	boldenone
1952	360	0	0	False	pyridoxine_phosphate
2143	360	0	0	False	hydroxyethylcysteine
2264	360	0	0	False	(4s)-5-fluoro-l-leucine
3262	360	0	0	True	deoxycholic_acid
3310	360	0	0	False	digoxigenin
3910	360	0	0	False	2_3-difluorobenzyl_alcohol
3969	360	0	0	False	meglutol
4110	360	0	0	False	s_s-(2-hydroxyethyl)thiocysteine
4147	360	4	0	True	trioxsalen
4742	360	21	0	True	obeticholic_acid
4907	360	0	0	False	ticalopride
4947	360	0	0	False	deramciclane
5199	360	0	0	False	5-(4'-amino-1'-ethyl-5'_8'-difluoro-1'h-spiro[piperidine-4_2'-quinazoline]-1-ylcarbonyl)picolinonitrile
6095	360	0	0	False	5-(5-chloro-2-thienyl)-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1h-1_2_4-triazole-3-sulfonamide
6174	360	0	0	False	talviraline
7147	360	3	35	True	sofosbuvir
7271	360	0	20	True	vilanterol
7625	360	0	0	False	l-threonic_acid
7680	360	0	0	False	1_2-docosahexanoyl-sn-glycero-3-phosphoserine
7787	360	0	0	True	zeranol
7789	360	0	0	True	zoalene
8247	360	0	0	False	adp-597
8264	360	0	0	False	pf-06305591
8475	360	0	0	False	selurampanel
8521	360	0	0	False	diazepinomicin
8944	360	0	0	False	pf-03382792
9697	360	5	0	False	dimemorfan
9744	360	0	0	True	dimazole
10054	360	0	0	True	hydrocortisone_cypionate
10107	360	0	0	True	boldenone_undecylenate
10340	360	0	0	False	tak-243
10726	360	0	0	False	2-ene-valproic_acid
10734	360	0	0	False	12-hydroxynevirapine
10942	360	0	0	False	norcisapride
10968	360	0	0	False	3-hydroxyquinidine
10969	360	0	0	False	3-hydroxyquinine
10978	360	0	0	False	6-beta-hydroxytestosterone
11031	360	0	0	False	17β-ethinylestradiol
11036	360	0	0	False	morphine-3-glucuronide
11106	360	0	0	False	ethinyl_estradiol
11232	360	0	0	False	12-hydroxynevirapine_glucuronide
11411	360	0	0	False	hydroxynalidixic_acid
11527	360	0	0	False	digoxigenin
11583	360	0	0	False	3-hydroxymonoethylglycinexylidide
11759	360	0	0	False	2β-oh-17β-ethinylestradiol
11799	360	0	0	False	dextrorphan_sulfate
12037	360	0	0	False	6beta-hydroxy-androstenedione
12116	360	0	0	False	15alpha-oh-estrone
12423	360	0	0	False	fupa
12464	360	0	0	False	asunaprevir_m2
12526	360	0	0	False	sch_488128
12825	360	0	0	False	formylciprofloxacin
12827	360	0	0	False	sulfociprofloxacin
12925	360	0	0	False	n1-methyl-2-pyridone-5-carboxamide
79	361	41	150	True	nicotine
373	361	8	106	True	brimonidine
538	361	5	185	True	latanoprost
696	361	40	180	True	propofol
762	361	6	2	True	pemirolast
1513	361	0	0	False	l-phospholactate
1663	361	0	0	False	m-aminophenylboronic_acid
2026	361	0	0	False	2-aminopropanedioic_acid
2246	361	0	0	False	phosphonopyruvate
2484	361	0	0	False	(2s)-1-[(2s_4r)-4-benzyl-2-hydroxy-5-{[(1s_2r_5s)-2-hydroxy-5-methylcyclopentyl]amino}-5-oxopentyl]-4-{[6-chloro-5-(4-methyl-1-piperazinyl)-2-pyrazinyl]carbonyl}-n-(2-methyl-2-propanyl)-2-piperazineca_rboxamide
2983	361	0	0	False	cephalosporin_c
3071	361	0	0	False	octahydroindole-2-carboxylic_acid
3152	361	0	0	False	o-sulfo-l-serine
3447	361	0	0	False	(2s_5r_6r)-6-({(6s)-6-[(ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-3_3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
3529	361	0	0	False	2-phenylheme
3781	361	2	0	True	fructose
4469	361	0	0	False	renzapride
4805	361	10	0	False	atrasentan
4812	361	1	28	True	silodosin
5063	361	0	0	False	gimatecan
5633	361	0	0	False	n-[2-(4-amino-5_8-difluoro-1_2-dihydroquinazolin-2-yl)ethyl]-3-furamide
6292	361	0	0	False	5-[(e)-(5-chloro-2-oxo-1_2-dihydro-3h-indol-3-ylidene)methyl]-n-[2-(diethylamino)ethyl]-2_4-dimethyl-1h-pyrrole-3-carboxamide
6364	361	0	0	False	3-oxo-octanoic_acid_(2-oxo-tetrahydro-furan-3-yl)-amide
6730	361	0	0	False	methyl_3-chloro-2-{3-[(2_5-dihydroxy-4-methoxyphenyl)amino]-3-oxopropyl}-4_6-dihydroxybenzoate
6739	361	0	0	False	3-(carboxyamide(2-carboxyamide-2-tertbutylethyl))pentan
6842	361	0	0	False	n-(4-bromo-2-{[(3r_5s)-3_5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide
6877	361	0	0	False	testosterone_succinate
6935	361	0	0	False	1-methyl_ethyl_2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoate
7106	361	3	76	True	ruxolitinib
7173	361	0	2	True	gemeprost
7420	361	0	0	False	safrazine
8127	361	0	0	True	selinexor
8237	361	0	0	False	vabicaserin
8296	361	0	0	False	rezatomidine
8362	361	0	0	False	beclabuvir
10123	361	0	0	True	drostanolone_propionate
10219	361	0	0	False	lanabecestat
10417	361	0	0	False	tinostamustine
10816	361	0	0	False	n-desmethyl_sildenafil_(uk-103_320)
10826	361	0	0	False	propofol_glucuronide
10851	361	0	0	False	2-hydroxyestrone
10923	361	0	0	False	4-hydroxyestrone
11107	361	0	0	False	nicotine
11192	361	0	0	False	propofol
11242	361	0	0	False	2-hydroxy-imipramine_glucuronide
11795	361	0	0	False	1-quinol_glucuronide
12111	361	0	0	False	2-oh-estrone
12112	361	0	0	False	4-oh-estrone
12168	361	0	0	False	12-oh-nevirapine
12191	361	0	0	False	7-oh-riluzole
12218	361	0	0	False	16alpha-hydroxytestosterone
12219	361	0	0	False	16beta-hydroxytestosterone
12582	361	0	0	False	des-4-chlorobenzoyl-indomethacin_glucuronide
12598	361	0	0	False	glasdegib_m5
12721	361	0	0	False	cyclohexane_ring_hydroxy_desvenlafaxine
13014	361	0	0	False	m1_sulfate_conjugate_(m4)
147	362	0	2	True	medrysone
272	362	36	181	True	amlodipine
286	362	44	108	True	progesterone
290	362	8	16	True	griseofulvin
374	362	3	14	True	dicloxacillin
582	362	8	21	True	nicergoline
662	362	0	205	True	estradiol
870	362	2	9	True	frovatriptan
947	362	4	229	True	tegaserod
1066	362	9	0	True	tubocurarine
1224	362	6	0	True	testosterone_propionate
1401	362	18	116	True	hydroxychloroquine
1605	362	0	0	False	4-[hydroxy-[methyl-phosphinoyl]]-3-oxo-butanoic_acid
2064	362	0	0	False	2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-imino]-5-phosphono-pent-3-enoic_acid
2350	362	0	0	False	n-[o-phosphono-pyridoxyl]-isoleucine
2482	362	0	0	False	4'-deoxy-4'-acetylyamino-pyridoxal-5'-phosphate
2685	362	0	0	False	2-(thiomethylene)-4-methylpentanoic_acid
2713	362	0	0	False	phosphoglycolohydroxamic_acid
2880	362	0	0	False	duvoglustat
2909	362	0	0	False	n-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-(alpha-d-galactopyranosyloxy)-5-nitrobenzamide
2996	362	0	0	False	{1-[(3-hydroxy-methyl-5-phosphonooxy-methyl-pyridin-4-ylmethyl)-amino]-ethyl}-phosphonic_acid
3053	362	0	0	False	alpha-d-xylopyranose
3487	362	0	0	False	(2r_3r_4s_5r)-2-acetamido-3_4-dihydroxy-5-hydroxymethyl-piperidine
3534	362	0	0	False	l-xylopyranose
3575	362	0	0	False	1-deoxymannojirimycin
3590	362	0	0	False	2-amino-4h-1_3-benzoxathiin-4-ol
3625	362	0	0	False	bromo-wr99210
3688	362	0	0	False	n-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide
3873	362	3	3	True	citric_acid
3887	362	0	0	False	beta-d-ribopyranose
4271	362	0	0	False	s-[(2e)-3_7-dimethylocta-2_6-dienyl]_trihydrogenthiodiphosphate
4509	362	0	0	True	migalastat
4638	362	0	0	False	mimopezil
4672	362	0	0	False	irx-5183
5455	362	0	0	False	(2s)-n-[(3e)-5-cyclopropyl-3h-pyrazol-3-ylidene]-2-[4-(2-oxo-1-imidazolidinyl)phenyl]propanamide
5824	362	0	0	False	3-carboxy-4-methyl-5-propyl-2-furanpropionic
5966	362	0	0	False	n-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2_2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide
6076	362	0	0	False	[4-(4-acetylamino-phenyl)-3_5-dioxo-4-aza-tricyclo[5.2.2.0_2_6]undec-1-ylcarbamoyloxy]-acetic_acid
6714	362	0	0	False	3-{3-[(dimethylamino)methyl]-1h-indol-7-yl}propan-1-ol
7231	362	6	103	True	aliskiren
7404	362	0	0	True	levamlodipine
7540	362	0	0	True	ferric_ammonium_citrate
7577	362	0	0	False	potassium_bitartrate
7915	362	3	0	False	selumetinib
7947	362	0	0	False	gsk-2330672
8178	362	0	0	False	azd-4818
8279	362	0	0	False	cinepazide
8470	362	0	0	False	pf-03654764
8554	362	2	0	False	belotecan
8575	362	0	0	False	acotiamide
9005	362	0	0	False	henatinib
9268	362	0	0	False	cinepazet
9478	362	0	0	False	aluminium_nicotinate
9642	362	0	0	False	cetiedil
9709	362	0	0	False	pipemidic_acid
9802	362	0	0	True	estradiol_valerate
10042	362	0	0	True	chromium_nicotinate
10293	362	0	0	False	mk-8666
10493	362	0	0	False	afabicin
10602	362	0	0	False	gsk-3117391
10647	362	0	0	False	zinc_glycinate_citrate
10803	362	0	0	False	5'-hydroxylornoxicam
10922	362	0	0	False	4-hydroxystradiol
10993	362	0	0	False	2β-hydroxymedroxyprogesterone
11060	362	0	0	False	estradiol
11252	362	0	0	False	2_4-diamino-6_7-dimethoxyquinazoline
11275	362	0	0	False	3-keto-digoxigenin
11603	362	0	0	False	n-desmethyl_glucuronide_rosiglitazone
11706	362	0	0	False	phenobarbital_o-sulfate
11835	362	0	0	False	7β-hydroxyprogesterone
12110	362	0	0	False	4-hydroxyestradiol
12268	362	0	0	False	2-hydroxy-n-[(piperidin-2-yl)methyl]-5-(2_2_2-trifluoroethoxy)benzamide
12354	362	0	0	False	m5a_ertugliflozin
12499	362	0	0	False	8'-hydroxy-dihydroergocristine
12956	362	0	0	False	labetalol_phenolic_glucuronide_metabolite_(v)
13067	362	0	0	False	2β-hydroxymedroxyprogesterone_acetate_(m-4)
13192	362	0	0	False	remdesivir_nucleoside_triphosphate
270	363	11	56	True	mexiletine
731	363	3	4	True	levorphanol
1085	363	2	6	True	halofantrine
1099	363	40	187	True	metoclopramide
1393	363	13	0	True	meticillin
1453	363	0	0	False	nanaomycin_d
1817	363	0	0	False	cra_16847
1821	363	0	0	False	delta-amino_valeric_acid
2035	363	0	0	False	arginineamide
2307	363	0	0	False	(2r)-2-[(1r)-1-{[(2s)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylene-5_6-dihydro-2h-1_3-oxazine-4-carboxylic_acid
3273	363	0	0	False	argifin
3320	363	0	0	False	2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoic_acid
3354	363	0	0	False	n-acetyl-alpha-neuraminic_acid
3519	363	0	0	False	triphosphoric_acid
3790	363	0	0	False	methylmalonic_acid
3866	363	0	0	False	n-acetyl-beta-neuraminic_acid
3923	363	0	0	False	dihydroxyacetone_phosphate
4197	363	0	0	False	derivative_of_aklanonic_acid_methyl_ester_(aame)
4233	363	0	0	False	olomoucine_ii
4354	363	0	0	False	tanaproget
4357	363	0	0	False	2_5-bis-o-{3-[amino(imino)methyl]phenyl}-1_4:3_6-dianhydro-d-glucitol
4385	363	3	1	False	iproniazid
4402	363	1	33	True	maraviroc
4700	363	0	0	False	alethine
4703	363	0	0	False	cositecan
4991	363	0	0	False	odiparcil
5336	363	0	0	False	5-ethyl-3-[(2-methoxyethyl)methylamino]-6-methyl-4-(3-methylbenzyl)pyridin-2(1h)-one
5418	363	0	0	False	4-chloro-6-(4-piperazin-1-yl-1h-pyrazol-5-yl)benzene-1_3-diol
5447	363	0	0	False	(2r)-1-(2_6-dimethylphenoxy)propan-2-amine
5995	363	0	0	False	methyl_(3s)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
6093	363	0	0	False	3_8-dibromo-7-hydroxy-4-methyl-2h-chromen-2-one
6130	363	1	0	False	geranylgeranyl_diphosphate
6250	363	0	0	False	(3s)-4-{[4-(but-2-ynyloxy)phenyl]sulfonyl}-n-hydroxy-2_2-dimethylthiomorpholine-3-carboxamide
8029	363	0	0	False	tofogliflozin
8836	363	0	0	False	an-2718
8920	363	5	0	False	gallopamil
9008	363	0	0	False	ly-2874455
9044	363	0	0	False	tramazoline
9064	363	0	0	False	azd-0424
9336	363	0	0	False	morinamide
9499	363	0	0	False	difetarsone
9645	363	0	0	False	peruvoside
10150	363	4	0	False	dextrorphan
10241	363	0	0	False	avadomide
10390	363	0	0	False	pemigatinib
10521	363	0	0	False	coblopasvir
10735	363	0	0	False	2-hydroxynevirapine
10785	363	0	0	False	hydroxyzileuton
11087	363	0	0	False	cotinine
11724	363	0	0	False	verapamil_metabolite_pr-25
11808	363	0	0	False	cyclohexyl_hydroxymethyl_glimepiride
11833	363	0	0	False	16β-hydroxyprogesterone
11964	363	0	0	False	ba_790_br_(scopolamine_butylbromide)
12165	363	0	0	False	2-oh-nevirapine
12177	363	0	0	False	16beta-oh-progesterone
12818	363	0	0	False	5-hydroxy__6-methoxy_duloxetine_glucuronide
13013	363	0	0	False	4'-o-monodesmethyl_istradefylline_(m1)
13153	363	0	0	False	tetrahydrocortisone
90	364	9	23	True	betaxolol
591	364	1	328	True	ibandronate
1638	364	0	0	False	glycyl-l-a-aminopimelyl-e-(d-2-aminoethyl)phosphonate
1830	364	0	0	False	l-n(omega)-nitroarginine-(4r)-amino-l-proline_amide
2223	364	0	0	False	dinor-n(omega)-hydroxy-l-arginine
2697	364	0	0	False	2-{[2-oxo-2-(1-piperidinyl)ethyl]sulfanyl}-6-(trifluoromethyl)-4(1h)-pyrimidinone
3648	364	0	0	False	adamantane-1-carboxylic_acid-5-dimethylamino-naphthalene-1-sulfonylamino-butyl-amide
3861	364	0	0	False	9-(5_5-difluoro-5-phosphonopentyl)guanine
3870	364	0	0	False	cyclotheonamide_a
4079	364	0	0	False	aspartate_semialdehyde
4319	364	1	0	False	purvalanol_a
4413	364	4	29	True	celiprolol
4486	364	0	0	False	ramoplanin
4735	364	0	0	False	tas-108
4788	364	5	5	True	noscapine
4909	364	0	0	False	tezacitabine
5056	364	3	9	True	nilvadipine
5353	364	0	0	False	(2e)-3-{3-[(5-ethyl-3-iodo-6-methyl-2-oxo-1_2-dihydropyridin-4-yl)oxy]phenyl}acrylonitrile
5741	364	0	0	False	(3r)-3-(aminomethyl)-9-methoxy-1_2_3_4-tetrahydro-5h-[1]benzothieno[3_2-e][1_4]diazepin-5-one
6564	364	0	0	False	cyclohexyl-norstatine
6701	364	0	0	False	2-methylcarbamoyl-3-(4-phosphonooxy-phenyl)-cyclopropanecarboxylic_acid
7172	364	0	0	False	glibornuride
7488	364	0	0	True	levobetaxolol
7909	364	0	0	False	daprodustat
8155	364	1	0	False	pf-04691502
8913	364	0	0	True	nicoboxil
9172	364	0	0	False	propanidid
9187	364	0	0	False	methylmethionine_chloride
9329	364	0	0	False	guanoxabenz
9405	364	1	0	False	dimetofrine
9713	364	0	0	False	indanazoline
9798	364	0	0	True	estradiol_acetate
10230	364	0	0	False	top-1288
10336	364	0	0	False	pf-04937319
10387	364	0	0	False	gefapixant
10412	364	0	0	False	deutivacaftor
10642	364	0	0	False	leptazoline_a
10759	364	0	0	False	haloperidol_glucuronide
10833	364	0	0	False	6-β-hydroxygliclazide
11089	364	0	0	False	[3h]-gamma-butyrobetaine
11382	364	0	0	False	doxepin_n-oxide_glucuronide
11407	364	0	0	False	hydroxydesmethyl_doxepin_glucuronide
11408	364	0	0	False	hydroxydoxepin_glucuronide
11506	364	0	0	False	sorafenib_beta-d-glucuronide
11834	364	0	0	False	15β-hydroxyprogesterone
11874	364	0	0	False	4-hydroxymethyl_ambrisentan_glucuronide
12113	364	0	0	False	6alpha-oh-estrone
12114	364	0	0	False	6beta-estrone
12502	364	0	0	False	3-(4-carboxybenzylidene)-6-hydroxycamphor
12552	364	0	0	False	act-333679_glucuronide
12705	364	0	0	False	linagliptin_m489(1)
12732	364	0	0	False	para-hydroxyatorvastatin_glucuronide
12992	364	0	0	False	carvedilol_glucuronide
280	365	26	251	True	digoxin
755	365	8	505	True	chlorhexidine
862	365	10	153	True	rivastigmine
1267	365	0	0	False	2_5-dimethoxy-4-ethylamphetamine
1701	365	0	0	False	6-[1-(3_5_5_8_8-pentamethyl-5_6_7_8-tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic_acid
1843	365	0	0	False	a_disubstituted_succinyl_caprolactam_hydroxymate_mmp3inhibitor
1858	365	2	0	False	3_5-dinitrocatechol
1875	365	0	0	False	glycochenodeoxycholic_acid
1890	365	0	0	False	diethyl_4-methylbenzylphosphonate
2097	365	0	0	False	2-amino-3-(diethoxy-phosphoryloxy)-propionic_acid
2301	365	0	0	False	n(2)-carbamimidoyl-n-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2_3-dichlorophenyl}-1-methyl-1h-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-d-leucinamide
2399	365	0	0	False	s-{2-[amino(dihydroxy)-lambda~4~-sulfanyl]ethyl}-d-cysteine
2468	365	0	0	False	r-9-(2-hydroxypropyl)adenine
2688	365	0	0	False	s-9-(2-hydroxypropyl)adenine
2903	365	0	0	False	2-oxo-4-methylpentanoic_acid
3314	365	0	0	False	cystein-s-yl_cacodylate
3606	365	0	0	False	2_6-diamino-hexanoic_acid_amide
3950	365	0	0	False	9-deazaguanine
4103	365	0	0	False	tert-butyl(1s)-1-cyclohexyl-2-oxoethylcarbamate
4122	365	0	0	False	1-deoxy-1-acetylamino-beta-d-gluco-2-heptulopyranosonamide
4308	365	0	0	False	moxalactam_(hydrolyzed)
4484	365	6	1	True	lofexidine
4637	365	0	0	False	budiodarone
4704	365	2	53	True	abiraterone
4928	365	3	0	False	cariporide
5201	365	0	0	False	(1z)-2-hydroxy-3-oxohex-1-en-1-yl_dihydrogen_phosphate
5308	365	0	0	False	4-[(1e_7e)-8-(2_6-dioxo-1_2_3_6-tetrahydropyrimidin-4-yl)-3_6-dioxa-2_7-diazaocta-1_7-dien-1-yl]benzoic_acid
5397	365	0	0	False	3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
5588	365	0	0	False	1-[(2-amino-4-chloro-5-methylphenyl)sulfonyl]-l-proline
5827	365	0	0	False	n-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-n~2~-[(1s)-2_2_2-trifluoro-1-(4-fluorophenyl)ethyl]-l-alaninamide
5922	365	0	0	False	2-[(2_4-dichloro-5-methylphenyl)sulfonyl]-1_3-dinitro-5-(trifluoromethyl)benzene
6550	365	0	0	False	4-hydroxy-5-iodo-3-nitrophenylacetyl-epsilon-aminocaproic_acid_anion
7217	365	6	0	False	carmofur
7220	365	1	0	False	befunolol
7685	365	0	0	True	tetradecyl_hydrogen_sulfate_(ester)
7859	365	1	0	False	zorubicin
7916	365	0	0	True	naldemedine
8289	365	0	0	False	gepotidacin
8338	365	0	0	False	vp-14637
8751	365	0	0	False	velusetrag
9166	365	1	0	True	flosequinan
9271	365	5	12	True	dihydroergocristine
9436	365	0	0	False	mepindolol
9775	365	0	0	False	2'-c-methylcytidine
10302	365	0	0	False	pco-371
10779	365	0	0	False	verapamil_metabolite_d-617
11314	365	0	0	False	6-hydroxymelatonin_glucuronide
11519	365	0	0	False	1-hydroxylorcaserin
11768	365	0	0	False	4'-carboxylumiracoxib_glucuronide_(m22)
11818	365	0	0	False	indapamide_epoxide_intermediate
11850	365	0	0	False	amine_metabolite_(m19)
12068	365	0	0	False	(2r)-5-amino-2-(3-methoxyphenyl)-2-(propan-2-yl)pentanenitrile
12108	365	0	0	False	n-desmethylerythromycin
12117	365	0	0	False	16alpha-oh-estrone
12118	365	0	0	False	16beta-oh-estrone
12525	365	0	0	False	sch_57871-glucuronide
12643	365	0	0	False	17-ketosteroid-16-alpha-hydroxyestrone
12767	365	0	0	False	aripiprazole_unnamed_metabolite_1
13054	365	0	0	False	fenofibryl_glucuronide
13167	365	0	0	False	sertraline_carbamoyl-o-glucuronide
291	366	13	32	True	nisoldipine
459	366	61	152	True	clonidine
552	366	20	102	True	sumatriptan
680	366	10	44	True	alfentanil
781	366	4	127	True	bimatoprost
969	366	20	214	True	capecitabine
1204	366	13	53	True	digitoxin
1255	366	2	0	False	midomafetamine
1305	366	0	0	False	tenamfetamine
1311	366	0	0	False	3_4_5-trimethoxyamphetamine
1935	366	0	0	False	equilin
3125	366	0	0	False	1_2_3_4-tetrahydro-isoquinoline-7-sulfonic_acid_amide
3301	366	0	0	False	cysteinesulfonic_acid
3725	366	0	0	False	3-chloro-9-ethyl-6_7_8_9_10_11-hexahydro-7_11-methanocycloocta[b]quinolin-12-amine
3855	366	0	0	False	8-benzo[1_3]dioxol-_5-ylmethyl-9-butyl-2-fluoro-9h-purin-6-ylamine
3898	366	0	0	False	3-(4-amino-2-tert-butyl-5-methyl-phenylsulfanyl)-6-cyclopentyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5_6-dihydro-pyran-2-one
3994	366	0	0	False	3-(phosphonomethyl)pyridine-2-carboxylic_acid
4086	366	0	0	False	8-(2-chloro-3_4_5-trimethoxy-benzyl)-9-pent-4-ylnyl-9h-purin-6-ylamine
4972	366	0	0	False	adipiplon
5386	366	0	0	False	(4-{4-[(tert-butoxycarbonyl)amino]-2_2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic_acid
5594	366	0	0	False	n-ethyl-n-isopropyl-3-methyl-5-{[(2s)-2-(pyridin-4-ylamino)propyl]oxy}benzamide
6584	366	0	0	False	n-[(2r)-2-{[(2s)-2-(1_3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-n-hydroxyformamide
6773	366	0	0	False	5-alpha-pregnane-3-beta-ol-hemisuccinate
7213	366	0	0	False	clinofibrate
7335	366	0	0	True	technetium_tc-99m_disofenin
7376	366	1	0	False	trimazosin
7632	366	0	0	True	bemotrizinol
7829	366	8	0	False	bicuculline
7867	366	0	0	True	temoporfin
7934	366	0	0	False	navarixin
8056	366	0	0	True	brexanolone
8431	366	0	0	False	eltanolone
8629	366	16	0	False	idazoxan
8753	366	2	0	False	spiradoline
8858	366	1	0	False	oleandrin
8964	366	0	0	False	sepranolone
9368	366	0	0	False	nicomorphine
9791	366	4	0	True	testosterone_enanthate
9797	366	0	0	False	stanolone_acetate
10168	366	1	0	True	cefamandole_nafate
10297	366	0	0	False	bms-817399
10852	366	0	0	False	2-hydroxyflutamide
11166	366	0	0	False	aldosterone_18-glucuronide
11361	366	0	0	False	cyclic_6-hydroxymelatonin
11676	366	0	0	False	voriconazole_o-glucuronide_derivative_(1)
11781	366	0	0	False	dihydroxy_ketobemidone
11800	366	0	0	False	3-hydroxymorphinan
12115	366	0	0	False	7alpha-oh-estrone
12307	366	0	0	False	m1_(letermovir)
12543	366	0	0	False	doravirine_m9_metabolite
12572	366	0	0	False	etoperidone_m7
12696	366	0	0	False	palbociclib_m9
12786	366	0	0	False	3'(s)-hydroxy-pravastatin-tetranor_glucuronide
12831	366	0	0	False	raloxifene-4′-glucuronide
88	367	15	96	True	tramadol
116	367	1	1	True	isoetharine
331	367	3	68	True	entecavir
769	367	1	4	True	oxybuprocaine
794	367	2	16	True	almotriptan
957	367	0	2	True	deserpidine
1359	367	0	0	False	methylenedioxyethamphetamine
1373	367	14	1	True	oxprenolol
1933	367	0	0	False	2_4-dihydroxy-7-(methyloxy)-2h-1_4-benzoxazin-3(4h)-one
2137	367	0	0	False	6-o-cyclohexylmethyl_guanine
2196	367	0	0	False	4_6-dideoxy-4-amino-beta-d-glucopyranoside
3027	367	0	0	False	n-acetylproline
3041	367	0	0	False	3_5-diiodotyrosine
3065	367	0	0	False	1_2-di-1-(3_7_11_15-tetramethyl-hexadecane)-sn-glycero-3-phosphate
3099	367	0	0	False	4_6-dideoxy-4-amino-alpha-d-glucose
3141	367	0	0	False	l-alpha-glycerophosphorylethanolamine
3400	367	0	0	False	d-eritadenine
4121	367	0	0	False	2_6-diamino-8-(1h-imidazol-2-ylsulfanylmethyl)-3h-quinazoline-4-one
4151	367	0	0	True	quinestrol
4359	367	0	0	False	2_5-o_o-bis-{4'_4''-amidinophenyl}-1_4:3_6-dianhydro-d-sorbitol
4464	367	0	0	False	sitamaquine
4998	367	0	0	False	7-beta-hydroxyepiandrosterone
5331	367	0	0	False	tert-butyl_4-({[4-(but-2-yn-1-ylamino)phenyl]sulfonyl}methyl)-4-[(hydroxyamino)carbonyl]piperidine-1-carboxylate
5862	367	0	0	False	(5beta)-pregnane-3_20-dione
6151	367	0	0	False	7-(1-ethyl-propyl)-7h-pyrrolo-[3_2-f]quinazoline-1_3-diamine
7007	367	0	0	False	(r)-trans-4-(1-aminoethyl)-n-(4-pyridyl)_cyclohexanecarboxamide
7056	367	0	0	False	bupranolol
7689	367	0	0	True	kinetin
7705	367	0	0	True	alfaxalone
7847	367	0	0	False	nitrocefin
8437	367	1	0	False	chlorproguanil
8438	367	2	0	False	9cuab30
8765	367	0	0	False	nb-001
8935	367	0	0	False	nikkomycin_z
8949	367	0	0	False	5-fluoro-2'-deoxycytidine
8972	367	0	0	False	xl-888
9242	367	0	0	False	ibopamine
9785	367	0	0	False	lgd-3303
9790	367	0	0	True	testosterone_cypionate
9909	367	0	0	False	methionine_sulfoximine
10174	367	0	0	False	cannabigerol
10424	367	0	0	False	selatogrel
10458	367	0	0	False	krn-5500
10783	367	0	0	False	zopiclone_n-oxide
10788	367	0	0	False	zileuton_o-glucuronide
10802	367	0	0	False	naproxen_o-glucuronide
10894	367	0	0	False	zopiclone-n-oxide
10930	367	0	0	False	n-desmethyltramadol
11004	367	0	0	False	nopiclone_n-oxide
11178	367	0	0	False	11-hydroxyprogesterone_11-glucuronide
11414	367	0	0	False	id14326
11675	367	0	0	False	uk-215_364
11693	367	0	0	False	terbinafine_dihydrodiol_derivative_(2)
12347	367	0	0	False	m-2
12355	367	0	0	False	m5b_ertugliflozin
12508	367	0	0	False	3_5_benzene_diol_metabolite_of_r406
12627	367	0	0	False	cvt-3389
12713	367	0	0	False	linagliptin_m487(1)
12810	367	0	0	False	dihydrodigoxin
12847	367	0	0	False	4-(6-hydroxy-2-naphthyl)-_butan-2-ol_glucuronide_(2-oh_conjugated)_glycine_conjugate
12880	367	0	0	False	sumatriptan_metabolite_gr34633
12998	367	0	0	False	6-β-hydrocodol_glucuronide_conjugate
12999	367	0	0	False	6-α-hydrocodol_glucuronide_conjugate
13056	367	0	0	False	reduced_fenofibric_acid_glucuronide
71	368	22	79	True	fluvoxamine
539	368	3	0	True	estrone
1076	368	0	3	True	dezocine
1833	368	0	0	False	1-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-4-(1_1_3_3-tetramethylbutyl)benzene
1844	368	0	0	False	4-(2_4-dimethyl-thiazol-5-yl)-pyrimidin-2-ylamine
1995	368	0	0	False	n-bromoacetyl-aminoethyl_phosphate
2029	368	0	0	False	(2s)-2_3-bis{[(3r_7r)-3_7_11_15-tetramethylhexadecyl]oxy}propyl_(2r)-2-hydroxy-3-[(hydroxyphosphinato)oxy]propyl_phosphate
2232	368	0	0	False	isopentyl_pyrophosphate
2420	368	2	0	False	sorbinil
2506	368	0	0	False	trifluorofurnesyl_diphosphate
2812	368	0	0	False	4-iodobenzo[b]thiophene-2-carboxamidine
3043	368	0	0	False	2-carboxyethylphosphonic_acid
3112	368	0	0	False	3-trimethylsilylsuccinic_acid
3631	368	0	0	False	1-deoxy-1-methoxycarbamido-beta-d-gluco-2-heptulopyranosonamide
3696	368	0	0	False	n'-pyridoxyl-lysine-5'-monophosphate
3833	368	0	0	False	(2r)-amino(3_5-dihydroxyphenyl)acetic_acid
3961	368	0	0	False	bb-3497
4126	368	0	0	False	4-deoxy-d-glucuronic_acid
4333	368	0	0	False	n-pyridoxyl-2-methyl-l-glutamic_acid-5'-monophosphate
4389	368	0	1	True	oxeladin
4522	368	29	0	False	fenretinide
4535	368	0	0	False	gemcabene
4540	368	0	0	False	oxi-4503
4556	368	0	0	False	lgd2941
4567	368	2	0	False	ibudilast
4810	368	1	32	True	tapentadol
4850	368	0	0	True	sitaxentan
4883	368	0	0	False	iclaprim
5431	368	0	0	False	(2s)-6-(2_4-diamino-6-ethylpyrimidin-5-yl)-2-(3_5-difluorophenyl)-4-(3-methoxypropyl)-2h-1_4-benzoxazin-3(4h)-one
5471	368	0	0	False	6-methyl-5-[3-methyl-3-(3_4_5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2_4-diamine
5760	368	0	0	False	2_6-diamino-1_7-dihydro-8h-imidazo[4_5-g]quinazolin-8-one
5928	368	0	0	False	4-(2-aminoethoxy)-n-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3_5-dimethylbenzamide
6067	368	0	0	False	5-fluoroindole_propanol_phosphate
6073	368	0	0	False	n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-nitrilomethyl-pyridyl]-thiourea
6225	368	0	0	False	(s)-iclaprim
6251	368	0	0	False	6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9h-purine-2-carbonitrile
6311	368	0	0	False	but-3-enyl-[5-(4-chloro-phenyl)-3_6-dihydro-[1_3_4]thiadiazin-2-ylidene]-amine
6412	368	0	0	False	n-(5-{3_4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1_3_4-oxadiazol-2-yl)ethane-1_2-diamine
6462	368	0	0	False	2-[methyl-(5-geranyl-4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate
6684	368	0	0	False	6-chloro-2-(1-furo[2_3-c]pyridin-5-yl-ethylsulfanyl)-pyrimidin-4-ylamine
6876	368	0	0	False	3-(hydroxy-phenyl-phosphinoyloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic_acid_methyl_ester
6991	368	0	0	False	cyclohexylmethyl-2_3-dihydroxy-5-methyl-hexylamide
6992	368	0	0	False	5-[[(2r)-2-cyclopropyl-7_8-dimethoxy-2h-chromen-5-yl]methyl]pyrimidine-2_4-diamine
7171	368	0	23	False	azosemide
7181	368	0	0	False	flumequine
7380	368	0	0	False	limaprost
7493	368	0	0	True	procaine_merethoxylline
7684	368	0	0	True	dipyrithione
7732	368	5	0	True	famphur
7895	368	0	0	False	buparlisib
8023	368	0	0	False	retosiban
8189	368	0	0	True	alpelisib
8527	368	0	0	False	orvepitant
8528	368	0	0	False	pac-14028
8864	368	0	0	False	da-6886
8977	368	0	0	False	vs-5584
9100	368	1	0	True	lusutrombopag
9101	368	0	0	False	bms-986115
9391	368	2	0	False	meptazinol
9527	368	0	0	False	oxolinic_acid
9552	368	0	0	False	nikethamide
9728	368	0	0	False	etofylline_nicotinate
9995	368	0	0	False	acetylcysteine_amide
10171	368	0	0	False	rebeccamycin
10732	368	0	0	False	uk-121_265_(voriconazole_n-oxide)
11059	368	0	0	False	estrone
11137	368	0	0	False	estrone_glucuronide
11363	368	0	0	False	cyclic_n-acetylserotonin_glucuronide
11377	368	0	0	False	dihydroisomorphine-6-glucuronide
11478	368	0	0	False	olsalazine-o-sulfate
11867	368	0	0	False	m29_(gw630200)
11891	368	0	0	False	[18f]av-267_(n-acetyl–[18f]av-160)
12225	368	0	0	False	voriconazole_n-oxide
12283	368	0	0	False	de-benzylated_nicardipine
12391	368	0	0	False	aranidipine_m-4
12625	368	0	0	False	cvt-3245
12702	368	0	0	False	linagliptin_m515(1)
12839	368	0	0	False	reduced_o-desmethyl-3-hydroxy-nabumetone_glucuronide_glycine_conjugate
12995	368	0	0	False	6-β-hydromorphol_glucuronide_conjugate_2
12997	368	0	0	False	6-α-hydromorphol_glucuronide_conjugate_2
179	369	32	304	True	venlafaxine
189	369	5	102	True	ropivacaine
496	369	17	111	True	bisoprolol
619	369	0	0	True	hetacillin
1028	369	1	2	True	chloroprocaine
1189	369	0	3	True	quinupristin
1606	369	0	0	False	canavanine
1796	369	0	0	False	isoluminol
1856	369	0	0	False	2-chlorodideoxyadenosine
2054	369	0	0	False	2-deoxy-2-fluoro-alpha-d-mannosyl_fluoride
2077	369	8	0	False	2-methoxyestradiol
2647	369	0	0	False	selenomethionine_selenoxide
2931	369	0	0	False	5-[1-(acetylamino)-3-methylbutyl]-2_5-anhydro-3_4-dideoxy-4-(methoxycarbonyl)pentonic_acid
2964	369	0	0	False	1-methyl-3-oxo-1_3-dihydro-benzo[c]isothiazole-5-sulfonic_acid_amide
3055	369	0	0	False	chromophore_(met-tyr-gly)
3236	369	0	0	False	pterin-6-yl-methyl-monophosphate
3406	369	0	0	False	d-dethiobiotin
3475	369	6	0	False	cilomilast
3901	369	0	0	False	bis(5-amidino-2-benzimidazolyl)methane_ketone_hydrate
3941	369	0	0	False	lumichrome
4030	369	0	0	False	2_4-difluorobenzyl_alcohol_2_4-difluoro-1-(hydroxymethyl)benzene
4143	369	0	0	False	chromophore_(gly-tyr-gly)
4191	369	0	0	False	(9s)-9-[(8-ammoniooctyl)amino]-1_2_3_4_9_10-hexahydroacridinium
4820	369	0	0	True	vernakalant
5335	369	0	0	False	(5s)-2-{[(1s)-1-(4-fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1_3-thiazol-4(5h)-one
5460	369	0	0	False	5-[(3r)-3-(5-methoxy-3'_5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2_4-diamine
5510	369	0	0	False	2-{2-[(3_5-dimethylphenyl)amino]pyrimidin-4-yl}-n-[(1s)-2-hydroxy-1-methylethyl]-4-methyl-1_3-thiazole-5-carboxamide
5742	369	0	0	False	[[(3r_4r_5s_6r)-3-(butanoylamino)-4_5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino]_n-phenylcarbamate
5759	369	0	0	False	1-(5-bromo-pyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)-cyclopropyl]-urea
5855	369	0	0	False	2-(6-chloro-3-{[2_2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-3-methyl-6-pyridinyl)methyl]acetamide
6099	369	0	0	False	(1s_2r)-2-[(2_5-difluorophenyl)carbamoyl]cyclopropanecarboxylic_acid
6715	369	0	0	False	(4as)-5-[(2_4-diaminopteridin-6-yl)methyl]-4a_5-dihydro-2h-dibenzo[b_f]azepin-8-ol
6766	369	0	0	False	(3s_5r_7r_8s_9s_10r)-7-(hydroxymethyl)-3-(4-methylphenyl)-1_6-dioxa-2-azaspiro[4.5]decane-8_9_10-triol
6803	369	0	0	False	[(3s)-9-hydroxy-1-methyl-10-oxo-4_10-dihydro-3h-benzo[g]isochromen-3-yl]acetic_acid
6841	369	0	0	False	4-[(4-bromo-2-{[(3r_5s)-3_5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic_acid
6956	369	0	0	False	[[(3r_4r_5s_6r)-4_5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino]_n-phenylcarbamate
7145	369	0	40	True	macitentan
7396	369	1	0	False	aranidipine
7492	369	0	13	True	dexpanthenol
8205	369	0	0	False	naquotinib
8503	369	0	0	False	voxtalisib
8900	369	0	0	False	td-139
8922	369	0	0	False	crolibulin
9229	369	0	0	False	febarbamate
9555	369	0	0	False	tenonitrozole
9784	369	0	0	False	jnj-28330835
10304	369	0	0	False	azd-7687
10308	369	0	0	False	seltorexant
10561	369	0	0	False	tozuleristide
10797	369	0	0	False	ibuprofen_glucuronide
10911	369	0	0	False	alpha-hydroxymetoprolol
10932	369	0	0	False	amx
11090	369	0	0	False	trans-3-hydroxycotinine_glucuronide
11131	369	0	0	False	3-methoxy-4-hydroxyphenylglycol_sulfate
11205	369	0	0	False	beta-hydroxyethylhydrazine
11402	369	0	0	False	hydroxyclomipramine_glucuronide
11770	369	0	0	False	lumiracoxib_metabolite_m25_glucuronide_(m20)
11866	369	0	0	False	o-desmethyl_apremilast_glucuronide
11908	369	0	0	False	rsd1385
11946	369	0	0	False	inositol_mononicotinate
12553	369	0	0	False	m6_(alectinib)
12833	369	0	0	False	6-hydroxy-naphthylacetic_acid_glucuronide_glycine_conjugate
13191	369	0	0	False	remdesivir_nucleoside_diphosphate
351	370	0	0	True	methscopolamine_bromide
403	370	18	67	True	albendazole
668	370	25	89	True	perindopril
776	370	6	176	True	didanosine
916	370	1	42	True	lubiprostone
1287	370	0	0	False	embutramide
1584	370	0	0	False	3h-indole-5_6-diol
1752	370	0	0	False	n-(5'-phosphopyridoxyl)-d-alanine
1953	370	0	0	False	hexane-1_6-diol
2213	370	0	0	False	9-methylguanine
2939	370	0	0	False	1-allyl-3-butyl-8-(n-acetyl-4-aminobenzyl)-xanthine
3195	370	0	0	False	n-({4-[(1r)-4-[(2r_4s_5s)-2_4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2_2_2-trifluoro-1_1-dihydroxyethyl)butyl]phenyl}carbonyl)-l-glutamic_acid
3209	370	0	0	False	tetrahydrodeoxyuridine
3225	370	0	0	False	glucose-6-phosphate
3371	370	0	0	False	pantothenoylaminoethenethiol
3444	370	1	0	False	l-2_4-diaminobutyric_acid
3467	370	0	0	False	y-700
3773	370	3	0	False	valpromide
3999	370	0	0	False	alpha-n-dichloroacetyl-p-aminophenylserinol
4049	370	0	0	False	n-(5'-phosphopyridoxyl)-l-alanine
4152	370	3	0	False	fleroxacin
4165	370	0	0	False	(2r)-({4-[amino(imino)methyl]phenyl}amino){5-ethoxy-2-fluoro-3-[(3r)-tetrahydrofuran-3-yloxy]phenyl}aceticacid
4299	370	0	0	False	1-acetyl-2-lyso-sn-glycero-3-phosphoethanolamine
4358	370	0	0	False	2-o-(4'-amidinophenyl)-5-o-(3''-amidinophenyl)-1_4:3_6-dianhydro-d-sorbitol
4360	370	0	0	False	1_4:3_6-dianhydro-2-o-(3-carbamimidoylphenyl)-5-o-(4-carbamimidoylphenyl)-d-glucitol
5008	370	0	0	True	isavuconazonium
5058	370	0	0	True	propylhexedrine
5339	370	0	0	False	(7r_8r)-8-(2_4_5-trifluorophenyl)-6_7_8_9-tetrahydroimidazo[1_2-a:4_5-c']dipyridin-7-amine
5478	370	0	0	False	n-{[(2s_3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucine
6410	370	0	0	False	(1s_4r_9s)-5-(trifluoromethyl)-1_2_3_4-tetrahydro-1_4-methanonaphthalen-9-amine
6577	370	0	0	False	(3s)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3_4-dihydro-2h-1_2_4-benzothiadiazine_1_1-dioxide
7146	370	0	0	True	luliconazole
7621	370	0	3	True	pentoxyverine
7679	370	1	3	True	methscopolamine
7687	370	0	0	True	sinapultide
7963	370	6	0	True	benfotiamine
8040	370	0	0	False	osilodrostat
8050	370	0	0	False	mannose_6-phosphate
8266	370	0	0	False	taselisib
8326	370	1	0	False	dalcetrapib
8353	370	0	0	False	luseogliflozin
8558	370	0	0	False	bevenopran
8612	370	1	0	False	lobucavir
8618	370	1	0	False	nepadutant
8890	370	0	0	False	eltoprazine
9032	370	0	0	False	ch-5132799
9306	370	1	0	False	epimestrol
9480	370	0	0	False	metabutethamine
9525	370	0	0	False	carbuterol
9566	370	0	0	False	oxantel
9660	370	0	0	False	rufloxacin
10402	370	0	0	False	dorzagliatin
10435	370	0	0	False	livoletide
10453	370	0	0	False	nop-1a
10486	370	0	0	False	reldesemtiv
10529	370	0	0	False	ono-8539
10834	370	0	0	False	methylhydroxygliclazide
10884	370	0	0	False	6β-hydroxyprogesterone
10959	370	0	0	False	metabolite_m6
11127	370	0	0	False	triiodothyronine_sulfate
11306	370	0	0	False	5-hydroxyemedastine
11355	370	0	0	False	cd_1790
11437	370	0	0	False	n-acetyl-5-hydroxytryptamine_glucuronide
11723	370	0	0	False	verapamil_metabolite_d-620
11873	370	0	0	False	ambrisentan_glucuronide
11997	370	0	0	False	5-oh-thalidomide
12006	370	0	0	False	(r)-(-)-mexiletine__n-hydroxy
12176	370	0	0	False	6beta-oh-progesterone
12661	370	0	0	False	5_10-methylene_tetrahydrofolate_(thf)
12706	370	0	0	False	linagliptin_m503(1)
12708	370	0	0	False	linagliptin_cd1790
12768	370	0	0	False	aripiprazole_unnamed_metabolite_2
13046	370	0	0	False	gemfibrozil_m1_metabolite
394	371	1	0	False	tridihexethyl
922	371	17	14	True	nitrendipine
955	371	2	22	True	primaquine
1033	371	12	109	True	cilostazol
1060	371	8	60	True	acebutolol
1200	371	38	0	True	yohimbine
1284	371	1	0	False	4-bromo-2_5-dimethoxyamphetamine
1387	371	1	40	True	cilastatin
1756	371	3	0	False	3-bromo-7-nitroindazole
1828	371	0	0	False	[(2r_3r_4s_5s)-3_4-dihydroxy-5-(4-oxo-4_5-dihydro-1h-pyrrolo[3_2-d]pyrimidin-7-yl)-2-pyrrolidinyl]methyl_dihydrogen_phosphate
2670	371	0	0	False	vitamin_b6_complexed_with_2-amino-hexanoic_acid
2675	371	0	0	False	n-(2-thienylmethyl)-2_5-thiophenedisulfonamide
2694	371	0	0	True	arsanilic_acid
2724	371	0	0	False	nitrilotriacetic_acid
2976	371	0	0	False	ru78300
3037	371	0	0	False	fr239087
3638	371	0	0	False	mf268
3755	371	1	0	False	nicotinyl_alcohol
3808	371	0	0	False	3-mercuri-4-aminobenzenesulfonamide
4077	371	0	0	False	4-phospho-d-erythronohydroxamic_acid
4208	371	0	0	False	6-bromo-1-hexanol
4295	371	0	0	False	7_8_10-trimethylbenzo[g]pteridine-2_4(3h_10h)-dione
4420	371	7	26	True	febuxostat
4493	371	0	0	False	lesopitron
4898	371	1	0	False	taribavirin
5105	371	0	34	True	besifloxacin
5325	371	0	0	False	(3r)-3-[(1_2_3_4-tetrahydroisoquinolin-7-yloxy)methyl]-2_3-dihydrothieno[2_3-f][1_4]oxazepin-5-amine
5354	371	0	0	False	(3as_4r_9br)-2_2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1_2_3_3a_4_9b-hexahydrocyclopenta[c]chromen-8-ol
5587	371	0	0	False	n-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-bromo-2_5-dimethoxyphenyl)acetamide
5700	371	0	0	False	ethyl_4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
5835	371	0	0	False	(5e)-2-amino-5-(2-pyridinylmethylene)-1_3-thiazol-4(5h)-one
5869	371	0	0	False	6-amino-2-[(2-morpholin-4-ylethyl)amino]-3_7-dihydro-8h-imidazo[4_5-g]quinazolin-8-one
6448	371	0	0	False	(4r)-7-chloro-9-methyl-1-oxo-1_2_4_9-tetrahydrospiro[beta-carboline-3_4'-piperidine]-4-carbonitrile
6490	371	0	0	False	2-amino-4-fluoro-5-[(1-methyl-1h-imidazol-2-yl)sulfanyl]-n-(1_3-thiazol-2-yl)benzamide
6579	371	0	0	False	(3r)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3_4-dihydro-2h-1_2-benzothiazine_1_1-dioxide
6644	371	0	0	False	1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)thiourea
6751	371	0	0	False	4-{[(e)-2-(5-chlorothien-2-yl)vinyl]sulfonyl}-1-(1h-pyrrolo[3_2-c]pyridin-2-ylmethyl)piperazin-2-one
7112	371	0	0	True	gadoxetic_acid
7130	371	0	34	True	pomalidomide
7241	371	0	0	True	tedizolid_phosphate
7312	371	0	7	True	isosulfan_blue
7371	371	8	0	False	ciglitazone
7707	371	3	0	True	amitraz
7746	371	1	0	True	marbofloxacin
7781	371	0	0	True	tilmicosin
7830	371	0	0	True	padimate_o
7979	371	0	0	True	zytron
8179	371	0	0	False	briciclib
8344	371	0	0	False	pf-03654746
8656	371	12	0	False	piperine
8945	371	0	0	False	pivagabine
8965	371	0	0	False	serlopitant
9757	371	0	0	True	enasidenib
9831	371	0	0	True	baloxavir_marboxil
10186	371	0	0	False	narlaprevir
10348	371	0	0	False	azd-8186
10378	371	0	0	False	troriluzole
10563	371	3	0	False	hydroxypropyl_betadex
10576	371	0	0	False	danicopan
10701	371	0	0	False	5-hydroxythalidomide
10934	371	0	0	False	n-desmethylalmotriptan
10996	371	0	0	False	arabinofuranosylguanine
11172	371	0	0	False	estriol_3-sulfate_16-glucuronide
11241	371	0	0	False	2-hydroxy-desipramine_glucuronide
11313	371	0	0	False	6-hydroxyemedastine
11424	371	0	0	False	meta-o-dealkylated_flecainide
11464	371	0	0	False	n_n_o-tridesmethyl-tramadol
11829	371	0	0	False	2β-hydroxyprogesterone
12175	371	0	0	False	2beta-oh-progesterone
12357	371	0	0	False	m4c_ertugliflozin
12396	371	0	0	False	2-hydroxydesipramine_glucuronide
12685	371	0	0	False	palbociclib_m11
12761	371	0	0	False	chorquinaldol_sulfate_metabolite
12829	371	0	0	False	raloxifene-6-glucuronide
318	372	3	0	True	carboprost_tromethamine
401	372	27	42	True	dextromethorphan
466	372	12	179	True	voriconazole
637	372	3	126	True	dolasetron
779	372	3	0	True	etacrynic_acid
826	372	20	209	True	isoniazid
1046	372	3	10	True	podofilox
1127	372	8	61	True	posaconazole
1130	372	5	99	True	paliperidone
1745	372	0	0	False	3-fluoro-2-methyl-aniline
1976	372	0	0	False	l-methionine_(r)-s-oxide
2194	372	0	0	False	l-methionine_(s)-s-oxide
2311	372	0	0	False	carbaphosphonate
2409	372	0	0	False	3-deoxy-d-glucosamine
2619	372	0	0	False	3-amino-6-hydroxy-tyrosine
2660	372	0	0	False	2-amino-4-(2-amino-ethoxy)-butyric_acid
2785	372	0	0	False	5-hydroxy_norvaline
2786	372	0	0	False	scyllo-inositol
3028	372	0	0	False	2-{(9as)-9a-[(1s)-1-hydroxyethyl]-2_7-dimethyl-9a_10-dihydro-5h-pyrimido[4_5-d][1_3]thiazolo[3_2-a]pyrimidin-8-yl}ethyl_trihydrogen_diphosphate
3194	372	0	0	False	s-phosphocysteine
3222	372	0	0	False	n-pyridoxyl-threonine-5-monophosphate
3450	372	0	0	False	epigallocatechin
3481	372	0	0	False	l-threonohydroxamate_4-phosphate
3609	372	0	0	False	2-deoxy-2_3-dehydro-n-acetylneuraminic_acid
3820	372	0	0	False	cra_9076
3978	372	0	0	False	4_6-o-(1-carboxyethylidene)-beta-d-glucose
4046	372	0	0	False	n-formylmethionine
4169	372	0	0	False	3-hydroxyglutaric_acid
4172	372	0	0	False	[4_6-o-(1-carboxyethylidene)-beta-d-mannose]
4188	372	0	0	False	(r)-tacrine(10)-hupyridone
4189	372	0	0	False	(s)-tacrine(10)-hupyridone
4244	372	0	0	False	2-hydroxy-3_5-diiodobenzoic_acid
4411	372	14	82	True	tetrabenazine
4424	372	0	0	False	tirapazamine
5165	372	0	0	False	(4r)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
5379	372	0	0	False	1-(cyclohexylamino)-3-(6-methyl-3_4-dihydro-1h-carbazol-9(2h)-yl)propan-2-ol
5412	372	0	0	False	1-(2_2'-bithiophen-5-yl)methanamine
5605	372	0	0	False	(2r)-2-{[(4-fluoro-3-methylphenyl)sulfonyl]amino}-n-hydroxy-2-tetrahydro-2h-pyran-4-ylacetamide
5643	372	0	0	False	methyl_4-{[({[(2r_5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate
5732	372	0	0	False	(2s)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide
5873	372	0	0	False	cis-4-methyl-n-[(1s)-3-(methylsulfanyl)-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
5925	372	0	0	False	4_4'-dipyridyl_disulfide
5939	372	0	0	False	dibromotyrosine
6224	372	0	0	False	2-butoxy-9-(2_6-difluorobenzyl)-n-(2-morpholin-4-ylethyl)-9h-purin-6-amine
6322	372	0	0	False	(3z)-n_n-dimethyl-2-oxo-3-(4_5_6_7-tetrahydro-1h-indol-2-ylmethylidene)-2_3-dihydro-1h-indole-5-sulfonamide
6491	372	0	0	False	5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1h-indole-2-carboxamide
6716	372	0	0	False	2-(3-((4_5_7-trifluorobenzo[d]thiazol-2-yl)methyl)-1h-pyrrolo[2_3-b]pyridin-1-yl)acetic_acid
7113	372	0	0	True	icosapent_ethyl
7143	372	0	20	True	dolutegravir
8400	372	0	0	False	ore-1001
8626	372	0	0	False	sparsentan
8829	372	1	0	False	picropodophyllin
9132	372	8	0	True	inositol
9149	372	1	0	True	guanoxan
9233	372	0	0	False	proscillaridin
9379	372	0	0	False	ciclobendazole
9615	372	1	0	False	pirprofen
9800	372	0	0	True	estradiol_cypionate
9879	372	11	0	False	tetrandrine
9935	372	0	0	True	p-phenylenediamine
10235	372	0	0	False	bimiralisib
10313	372	0	0	False	iomazenil
10418	372	0	0	False	futibatinib
10542	372	0	0	False	gsk-945237
10546	372	0	0	False	d-chiro-inositol
10633	372	0	0	False	bos172722
10651	372	0	0	False	amg-510
10778	372	0	0	False	donepezil_metabolite_m4
10915	372	0	0	False	9-hydroxyrisperidone
11463	372	0	0	False	n_n-didesmethyltramadol
11534	372	0	0	False	n-hydroxylorcaserin
11707	372	0	0	False	phenobarbital_o-glucuronide
11766	372	0	0	False	lumiracoxib_glucuronide_(m24)
11780	372	0	0	False	dihydroxy_norketobemidone
11947	372	0	0	False	inositol
12125	372	0	0	False	fluvoxamino_alcohol
12358	372	0	0	False	m4b_ertugliflozin
12359	372	0	0	False	m4a_ertugliflozin
12577	372	0	0	False	etoperidone_m5
12645	372	0	0	False	16-alpha-hydroxy-17-beta-dihydroequilenin
12660	372	0	0	False	rac_ketorolac_glucuronide
12690	372	0	0	False	palbociclib_m4
12826	372	0	0	False	oxociprofloxacin
13010	372	0	0	False	enb579b
249	373	9	0	True	aminoglutethimide
492	373	38	99	True	chloroquine
739	373	7	83	True	vardenafil
743	373	5	0	False	alprenolol
827	373	2	25	True	naratriptan
923	373	0	0	False	mimosine
1198	373	7	1	False	mibefradil
1244	373	0	0	False	5-methoxy-n_n-diisopropyltryptamine
1572	373	0	0	False	ethyl_dihydrogen_diphosphate
1971	373	0	0	False	5'-o-[(l-methionyl)-sulphamoyl]adenosine
2447	373	0	0	False	kifunensine
2508	373	0	0	False	n-(2-acetamido)iminodiacetic_acid
2521	373	0	0	False	n-pyridoxyl-glycine-5-monophosphate
2706	373	0	0	False	4-(2_5-dichloro-thiophen-3-yl)-pyrimidin-2-ylamine
3138	373	0	0	False	5_10-dimethylene_tetrahydromethanopterin
3167	373	0	0	False	uridine-2'_3'-vanadate
3379	373	0	0	False	3ar_5r_6s_7r_7ar-5-hydroxymethyl-2-methyl-5_6_7_7a-tetrahydro-3ah-pyrano[3_2-d]thiazole-6_7-diol
3783	373	0	0	False	mdl-29951
3938	373	0	0	False	s-(3-iodobenzyl)glutathione
4505	373	3	0	False	sgs-742
4666	373	0	0	False	alt-2074
5488	373	0	0	False	5-(2-hydroxyethyl)nonane-1_9-diol
5697	373	0	0	False	1-acetyl-2-carboxypiperidine
5877	373	0	0	False	(2s)-1-(2_5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
6222	373	0	0	False	5-[(5-fluoro-3-methyl-1h-indazol-4-yl)oxy]benzene-1_3-dicarbonitrile
6294	373	0	0	False	(3e)-5-fluoro-1-[(6-fluoro-4h-1_3-benzodioxin-8-yl)methyl]-1h-indole-2_3-dione_3-oxime
6302	373	0	0	False	n-{(3r_4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(3-chlorobenzyl)ethane-1_2-diamine
6774	373	0	0	False	6-amino-2-methyl-1_7-dihydro-8h-imidazo[4_5-g]quinazolin-8-one
7193	373	3	4	False	etilefrine
8045	373	0	0	False	pf-04958242
8133	373	0	0	False	vestipitant
8172	373	0	0	True	avatrombopag
8303	373	0	0	False	pelubiprofen
8621	373	0	0	False	sar-405838
8768	373	0	0	False	nivocasan
8800	373	0	0	False	mk-1496
8813	373	0	0	False	quinfamide
9180	373	1	0	False	tiazofurine
10198	373	0	0	False	murepavadin
10237	373	0	0	False	deleobuvir
10422	373	0	0	False	voruciclib
10577	373	0	0	False	ziritaxestat
10738	373	0	0	False	o-desmethylvicriviroc
10885	373	0	0	False	cycloguanil
11147	373	0	0	False	4-hydroxyandrostenedione_glucuronide
11174	373	0	0	False	17-beta-estradiol_3-sulfate-17-(beta-d-glucuronide)
11419	373	0	0	False	lorcaserin_sulfamate
11465	373	0	0	False	n_o-didesmethyltramadol
11530	373	0	0	False	dihydroisomorphine-3-glucuronide
11531	373	0	0	False	dihydromorphine-3-glucuronide
11811	373	0	0	False	7-α-hydroxygliclazide
11868	373	0	0	False	m19_(c4-pyrrolidine-hydroxylated_rolapitant)
11992	373	0	0	False	n-methylpregabalin
12078	373	0	0	False	4'-oh-seratrodast
12252	373	0	0	False	3_4-dihydroxynelfinavir
12270	373	0	0	False	7-oh-gliclazide
12317	373	0	0	False	hydroxilated_form_of_rilpivirine_4_(m4)
12692	373	0	0	False	palbociclib_m5
12716	373	0	0	False	olanzapine_10-n-glucuronide
12804	373	0	0	False	tamsulosin_m-1-glu_metabolite
12871	373	0	0	False	alpelisib_m4_metabolite
12994	373	0	0	False	6-β-hydromorphol_glucuronide_conjugate_1
12996	373	0	0	False	6-α-hydromorphol_glucuronide_conjugate_1
13003	373	0	0	False	desethylhydroxychloroquine
356	374	8	1	True	enoxacin
357	374	13	103	True	quinine
627	374	27	86	True	scopolamine
784	374	19	53	True	quinidine
894	374	3	53	True	phylloquinone
986	374	19	17	True	diazoxide
1004	374	1	328	True	levofloxacin
1017	374	0	47	True	cefprozil
1032	374	40	123	True	ofloxacin
1055	374	7	24	True	ciclopirox
1172	374	0	0	True	quinidine_barbiturate
1248	374	0	0	False	bufotenine
2207	374	0	0	False	phosphonothreonine
2254	374	9	0	True	gamma-aminobutyric_acid
2719	374	0	0	False	d-levofloxacin
2798	374	0	0	False	(2z)-1-(5-chloro-1h-indol-3-yl)-3-hydroxy-3-(1h-tetrazol-5-yl)-2-propen-1-one
2840	374	0	0	False	2-dimethylamino-ethyl-diphosphate
2945	374	0	0	False	2'_5'-dideoxyuridine
3271	374	0	0	False	2-iodobenzylthio_group
3312	374	0	0	False	beta(2-thienyl)alanine
3679	374	0	0	False	nogalaviketone
3798	374	0	0	False	l-homoserine
4054	374	0	0	False	(r)-1-para-nitro-phenyl-2-azido-ethanol
4440	374	0	0	False	picoplatin
4827	374	0	0	False	maribavir
5044	374	1	80	True	desvenlafaxine
5048	374	4	0	True	iobenguane
5752	374	0	0	False	6-(3-aminopropyl)-4_9-dimethylpyrrolo[3_4-c]carbazole-1_3(2h_6h)-dione
5938	374	0	0	False	5-heptyl-6-hydroxy-1_3-benzothiazole-4_7-dione
6072	374	0	0	False	farnesyl_diphosphate
6178	374	0	0	False	4-(2-hydroxyphenylthio)-1-butenylphosphonic_acid
6243	374	0	0	False	methyl(2-acetoxy-2-(2-carboxy-4-amino-phenyl))acetate
6402	374	0	0	False	6_8-dimercapto-octanoic_acid_amide
6539	374	0	0	False	2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic_acid_meso-2_5-dihydroxy-cyclopent-3-enyl_ester
6650	374	0	0	False	4-[4-(2_5-dioxo-pyrrolidin-1-yl)-phenylamino]-4-hydroxy-butyric_acid
7255	374	6	35	True	ciprofibrate
7411	374	1	0	False	pirlindole
7719	374	0	0	True	cythioate
8999	374	1	0	False	diethylhomospermine
9296	374	1	0	False	vincamine
9559	374	0	0	False	clofenamide
9669	374	3	0	True	xamoterol
9680	374	1	0	False	clopamide
9801	374	0	0	True	estradiol_dienanthate
10300	374	0	0	False	tarloxotinib
10740	374	0	0	False	vicriviroc_n-oxide
11136	374	0	0	False	2-methoxyestrone_3-glucuronide
11300	374	0	0	False	4'-hydroxyfenoprofen_glucuronide
11423	374	0	0	False	melatonin_glucuronide
11695	374	0	0	False	n-desmethylterbinafine_dihydrodiol_derivative_(2)
11838	374	0	0	False	bufotenine
12129	374	0	0	False	harmalol
12273	374	0	0	False	hydroxylansoprazole
12620	374	0	0	False	cvt-2535
12698	374	0	0	False	palbociclib_m12
12795	374	0	0	False	m1_(atenolol)
12838	374	0	0	False	reduced_o-desmethyl-3-hydroxy-nabumetone_glucuronide
12845	374	0	0	False	4-(6-hydroxy-2-naphthyl)-_butan-2-ol_glucuronide_(6-oh_conjugated)_glycine_conjugate
12959	374	0	0	False	labetalol_c3_glucuronidated_metabolite_(viii)
13037	374	0	0	False	cyclobenzaprine_n+-glucuronide
175	375	69	216	True	lidocaine
685	375	5	68	True	proparacaine
875	375	15	0	True	cromoglicic_acid
882	375	9	0	True	edrophonium
1439	375	0	0	False	methyl_4_6-o-[(1r)-1-carboxyethylidene]-beta-d-galactopyranoside
2346	375	0	0	False	n_n-[2_5-o-di-2-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol]
2667	375	0	0	False	beta-hydroxyleucine
2971	375	0	0	False	2-allyl-6-methyl-phenol
3094	375	0	0	False	{3-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-2-methyl-propyl}-phosphonic_acid
3394	375	0	0	False	5-methyl-2'-deoxypseudouridine
3462	375	0	0	False	n-[(5s_7r_8s_9s_10r)-8_9_10-trihydroxy-7-(hydroxymethyl)-2_4-dioxo-6-oxa-1_3-diazaspiro[4.5]dec-3-yl]acetamide
4669	375	0	0	False	kp-1461
4729	375	3	0	False	resatorvid
5016	375	0	0	False	vicriviroc
5042	375	3	39	True	betahistine
6212	375	0	0	False	4-(2-hydroxyphenylsulfinyl)-butylphosphonic_acid
6931	375	0	0	False	(20s)-19_20_22_23-tetrahydro-19-oxo-5h_21h-18_20-ethano-12_14-etheno-6_10-methenobenz[d]imidazo[4_3-l][1_6_9_13]oxatriazacyclonoadecosine-9-carbonitrile
7454	375	1	0	True	paritaprevir
7613	375	5	2	True	zinc_picolinate
7754	375	0	0	True	nifurpirinol
7784	375	0	0	True	tylosin
8479	375	1	0	True	siponimod
8597	375	0	0	False	verucerfont
8808	375	0	0	False	azd-8055
8899	375	0	0	False	raluridine
9033	375	0	0	False	upamostat
9300	375	0	0	False	chiniofon
9388	375	0	0	False	tipepidine
9419	375	1	0	False	buflomedil
9519	375	1	0	False	bornaprine
10177	375	0	2	False	cannabinol
10288	375	0	0	False	coleneuramide
10513	375	0	0	False	amg-232
10805	375	0	0	False	thiophene-4_5-epoxide
10827	375	0	0	False	citalopram_n-oxide
10831	375	0	0	False	3-hydroxychlorpropamide
10860	375	0	0	False	monoethylglycinexylidide
11359	375	0	0	False	clofazimine_glucuronide
11389	375	0	0	False	etoposide_glucuronide
11451	375	0	0	False	n-despropyl-rotigotine
11809	375	0	0	False	cyclohexyl_carboxyl_glimepiride
11911	375	0	0	False	sennidin_a
12081	375	0	0	False	3-oh-chlorpropamide
12531	375	0	0	False	7-hydroxycitronellylic_acid
12568	375	0	0	False	etoperidone_m2
12653	375	0	0	False	etonogestrel_glucuronide
12674	375	0	0	False	7-o-demethyl_terazosin
12675	375	0	0	False	6-o-demethyl_terazosin
12682	375	0	0	False	palbociclib_m1
12683	375	0	0	False	palbociclib_m2
12712	375	0	0	False	linagliptin_m476(1)
12883	375	0	0	False	17-phenyl-trinor-pgf2alpha
534	376	69	102	True	leucovorin
549	376	1	24	True	nilutamide
775	376	5	41	True	remifentanil
895	376	9	51	True	felodipine
989	376	0	7	True	ambenonium
1264	376	0	0	False	furethidine
1321	376	0	0	False	4-methyl-2_5-dimethoxyamphetamine
1392	376	4	0	True	bacampicillin
1491	376	0	0	False	2-phospho-d-glyceric_acid
1710	376	0	0	False	gpi-1046
1771	376	0	0	False	dihydrofolic_acid
1842	376	0	0	False	cp-526423
2001	376	0	0	False	glyceraldehyde-3-phosphate
2140	376	0	0	False	2-acetyl-3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4_6_6-trihydroxy-3_5-dioxa-4_6-diphosphahex-1-yl)thiazolium_inner_salt_p_p'-dioxide
2279	376	4	0	False	phosphoramidon
2374	376	0	0	False	filaminast
2380	376	0	0	False	(c8-r)-hydantocidin_5'-phosphate
2705	376	0	0	False	3_4-dimethylaniline
2796	376	0	0	False	5-(1-carboxy-1-phosphonooxy-ethoxyl)-shikimate-3-phosphate
2942	376	0	0	False	2_6-difluorobenzenesulfonamide
3350	376	0	0	False	3-hydroxy-4-(3_4_5-trihydroxy-tetrahydro-pyran-2-yloxy)-piperidin-2-one
3419	376	0	0	False	s-dioxymethionine
4107	376	0	0	False	beta-hydroxyasparagine
4417	376	0	0	False	biricodar
4579	376	0	0	False	ranirestat
5052	376	1	6	True	lumefantrine
5079	376	2	0	False	ketobemidone
5146	376	5	6	True	tiopronin
5177	376	0	0	False	6-fluoro-2-[2-hydroxy-3-(2-methyl-cyclohexyloxy)-phenyl]-1h-indole-5-carboxamidine
5262	376	0	0	False	(3s)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol
5273	376	0	0	False	2-(cycloheptylmethyl)-1_1-dioxido-1-benzothiophen-6-yl_sulfamate
5295	376	0	0	False	(2s)-1-{[5-(1h-indazol-5-yl)-3-pyridinyl]oxy}-3-(7ah-indol-3-yl)-2-propanamine
5631	376	0	0	False	n-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-n-cyclopropyl-4-[(1s)-2_2_2-trifluoro-1-hydroxy-1-methylethyl]benzamide
5954	376	0	0	False	1-[2-deoxyribofuranosyl]-2_4-difluoro-5-methyl-benzene-5'monophosphate
6030	376	0	0	False	n-[1-(2_6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
6423	376	0	0	False	4-{[(2_6-difluorophenyl)carbonyl]amino}-n-[(3s)-piperidin-3-yl]-1h-pyrazole-3-carboxamide
6934	376	0	0	False	n-{3-[(e)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbimidothioic_acid
6970	376	0	0	False	5-(5-(6-chloro-4-(4_5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl_isoxazole
7110	376	8	80	True	linagliptin
7237	376	0	4	True	empagliflozin
7476	376	0	0	True	kappadione
7551	376	0	0	True	iobenguane_sulfate_i-123
8500	376	0	0	False	dsm-265
8676	376	0	0	False	pf-477736
8771	376	0	0	False	td-8954
8841	376	0	0	False	nm-3
8996	376	0	0	False	2_2-bis(4-hydroxy-3-tert-butylphenyl)propane
9338	376	0	0	False	troxipide
9406	376	1	0	False	paraoxon
9453	376	0	0	False	dibrompropamidine
9464	376	0	0	False	rimiterol
9640	376	10	13	True	glycyrrhizic_acid
10206	376	0	0	False	azd-5991
10280	376	0	0	False	branaplam
10516	376	0	0	False	risdiplam
11286	376	0	0	False	4-chloro-5-sulfamoylanthranilic_acid
11308	376	0	0	False	5'-hydroxymethyl_meloxicam
11721	376	0	0	False	donepezil_metabolite_m13
11722	376	0	0	False	donepezil_metabolite_m14
11851	376	0	0	False	empagliflozin_3-o-glucuronide
11955	376	0	0	False	topiroxostat_n-oxide
12287	376	0	0	False	8-oh-ondansetron
12292	376	0	0	False	o-demethylated-silybin
12301	376	0	0	False	3‐(5‐([(3z)‐7‐hydroxy‐2‐oxo‐2_3‐dihydro‐1h‐indol‐3‐ylidene]methyl)‐2_4‐dimethyl‐1h‐pyrrol‐3‐yl)propanoic_acid
12302	376	0	0	False	3‐(5‐([(3z)‐6‐hydroxy‐2‐oxo‐2_3‐dihydro‐1h‐indol‐3‐ylidene]methyl)‐2_4‐dimethyl‐1h‐pyrrol‐3‐yl)propanoic_acid
12481	376	0	0	False	2-butoxyethanol
12562	376	0	0	False	amrubicin_met_b
12659	376	0	0	False	dihydrofolate_(dhf)
12695	376	0	0	False	palbociclib_m8
12824	376	0	0	False	desethylene_ciprofloxacin
12846	376	0	0	False	4-(6-hydroxy-2-naphthyl)-_butan-2-ol_glucuronide_(2-oh_conjugated)
12850	376	0	0	False	4-(6-hydroxy-2-naphthyl)-_butan-2-one_glucuronide_glycine_conjugate
369	377	10	140	True	lenalidomide
517	377	19	29	True	dexmedetomidine
932	377	34	15	True	isoprenaline
998	377	2	78	True	proguanil
1107	377	13	53	True	gemfibrozil
1394	377	0	1	True	pivampicillin
2028	377	1	0	False	irosustat
2114	377	0	0	False	nor-noha
2334	377	0	0	False	1-(n-imidazolyl)-2-hydroxy-2-(2_3-dichlorophenyl)octane
2342	377	0	0	False	(2r)-2-{[formyl(hydroxy)amino]methyl}hexanoic_acid
2349	377	0	0	False	cibacron_blue
2492	377	0	0	False	(2s)-2-({4-[(2s)-1-(2-amino-4-oxo-1_4-dihydro-6-quinazolinyl)-3-{[2-({(2r_3r_4s_5r)-3_4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydro-2-furanyl}amino)-2-oxoethyl]amino}-2-hydroxy-2-propanyl]benzoyl}ami_no)pentanedioic_acid
2702	377	0	0	False	6-hydroxy-1_6-dihydro_purine_nucleoside
3296	377	0	0	False	tribenuron_methyl
3559	377	0	0	False	deacetoxycephalosporin_c
3809	377	0	0	False	[(4-{4-[4-(difluoro-phosphono-methyl)-phenyl]-butyl}-phenyl)-difluoro-methyl]-phosphonic_acid
3925	377	0	0	False	shikimate-3-phosphate
3985	377	0	0	False	3-nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonamide
4207	377	0	0	False	glutamine_t-butyl_ester
4227	377	0	0	False	1_3_4-trihydroxy-5-(3-phenoxypropyl)-cyclohexane-1-carboxylic_a_cid
4237	377	0	0	False	chromophore_(lys-tyr-gly)
4330	377	0	0	False	n-pyridoxyl-d-glutamic_acid-5'-monophosphate
4437	377	1	22	True	lorcaserin
4441	377	0	0	False	pralnacasan
4465	377	5	0	True	oxibendazole
4504	377	0	0	False	apadenoson
4597	377	0	0	False	talmapimod
4624	377	0	0	False	wx-uk1
4678	377	0	0	False	sotirimod
4956	377	0	0	False	resiquimod
5051	377	0	0	True	levonordefrin
5289	377	0	0	False	2-chloro-n-(3-cyano-5_6-dihydro-4h-cyclopenta[b]thiophen-2-yl)-5-diethylsulfamoyl-benzamide
5481	377	0	0	False	5-[(2-aminoethyl)amino]-6-fluoro-3-(1h-pyrrol-2-yl)benzo[cd]indol-2(1h)-one
5497	377	0	0	False	5-[(z)-(5-chloro-2-oxo-1_2-dihydro-3h-indol-3-ylidene)methyl]-n_2_4-trimethyl-1h-pyrrole-3-carboxamide
5645	377	0	0	False	trans-4-(7-carbamoyl-1h-benzimidazol-2-yl)-1-propylpiperidinium
5973	377	0	0	False	trans-2-(dimethylphenylsilyl)-piperidine-n-oxide
6216	377	0	0	False	n-(tert-butyl)-3_5-dimethyl-n'-[(5-methyl-2_3-dihydro-1_4-benzodioxin-6-yl)carbonyl]benzohydrazide
6399	377	0	0	False	(3r)-4-{[(3_4-dihydroxyphenyl)acetyl]oxy}-n-(2-formylindolizin-3-yl)-3-sulfino-d-valine
7758	377	0	0	True	oleandomycin
7962	377	0	0	False	barasertib
7969	377	10	0	True	istradefylline
8003	377	0	0	False	fostemsavir
8119	377	0	0	False	epelsiban
8129	377	2	0	False	ingavirin
8148	377	0	0	False	bms-986094
8216	377	0	0	False	savolitinib
8288	377	0	0	False	blxa4
8524	377	0	0	False	mk-3207
8762	377	0	0	False	sotagliflozin
8963	377	0	0	False	pactimibe
9028	377	0	0	False	tocladesine
9279	377	0	0	False	viminol
9822	377	3	0	False	sb-269970
10205	377	0	0	False	gdc-0425
10260	377	0	0	False	pf-04620110
10410	377	0	0	False	vk-2809
10428	377	0	0	False	h3b-6527
10670	377	4	0	True	brilliant_blue_g
10830	377	0	0	False	2-hydroxychlorpropamide
10844	377	0	0	False	norketobemidone
10960	377	0	0	False	hydroxyitraconazole
11015	377	0	0	False	n_o-didesmethylvenlafaxine
11288	377	0	0	False	4-hydroxy_duloxetine_glucuronide
11438	377	0	0	False	n-acetyl-5-hydroxytryptamine_sulfate
11529	377	0	0	False	digoxigenin_monodigitoxoside
11859	377	0	0	False	o-demethylated_olodaterol
12080	377	0	0	False	2-oh-chlorpropamide
12316	377	0	0	False	hydroxilated_form_of_rilpivirine_3_(m3)
12509	377	0	0	False	hydroquinone_glucuronide
12958	377	0	0	False	labetalol_c1'_glucuronidated_metabolite_(vii)
98	378	38	208	True	sildenafil
212	378	24	83	True	piperacillin
677	378	2	40	True	tazarotene
1616	378	0	0	False	(5s_7r_8s_9s_10r)-3-amino-8_9_10-trihydroxy-7-(hydroxymethyl)-6-oxa-1_3-diazaspiro[4.5]decane-2_4-dione
1891	378	0	0	False	(2e)-n-allyl-4-{[3-(4-bromophenyl)-5-fluoro-1-methyl-1h-indazol-6-yl]oxy}-n-methyl-2-buten-1-amine
1954	378	0	0	False	n-methyl-n-propargyl-1(r)-aminoindan
1962	378	0	0	False	al7089a
2322	378	0	0	False	1-amino-6-cyclohex-3-enylmethyloxypurine
2392	378	0	0	False	dinitrophenylene
2895	378	0	0	False	al7099a
2922	378	0	0	False	2-(phosphonooxy)butanoic_acid
2962	378	0	0	False	3-phosphono-d-alanine
3182	378	0	0	False	flavin-adenine_dinucleotide-n5-isobutyl_ketone
3188	378	0	0	False	[4-(4-hydroxy-benzyl)-2-(2-hydroxy-1-methyl-ethyl)-5-oxo-imidazolidin-1-yl]-acetic_acid
3197	378	0	0	False	biotinyl_p-nitroaniline
3228	378	0	0	False	4-thio-beta-d-glucopyranose
3664	378	0	0	False	n-carbamoyl-alanine
3780	378	0	0	False	[2_4_6-triisopropyl-phenylsulfonyl-l-[3-amidino-phenylalanine]]-piperazine-n'-beta-alanine
3791	378	0	0	False	norvaline
3897	378	0	0	False	7-[4-(dimethylamino)phenyl]-n-hydroxy-4_6-dimethyl-7-oxo-2_4-heptadienamide
4139	378	0	0	False	cra_9678
4380	378	0	0	True	bithionol
4629	378	0	0	False	epicept_np-1
5006	378	3	0	False	casopitant
5186	378	0	0	False	6-carbamimidoyl-2-[2-hydroxy-5-(3-methoxy-phenyl)-indan-1-yl]-hexanoic_acid
5361	378	0	0	False	7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2_3-d]pyrimidine-6-carboxamide
6158	378	0	0	False	6-chloro-4-[(r)-cyclohexylsulfinyl]-3-propyl-2(1h)-quinolinone
6190	378	0	0	False	tert-butyl_{2-[(1_3-thiazol-2-ylamino)carbonyl]pyridin-3-yl}carbamate
6492	378	0	0	False	1-[2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)-cyclopropyl]-3-(5-cyano-pyridin-2-yl)-thiourea
7455	378	11	0	False	silibinin
7769	378	10	0	True	rotenone
7896	378	0	0	False	2'-cyano-2'-deoxy-1-(beta-d-arabinofuranosyl)cytosine
8257	378	0	0	False	pf-05175157
8310	378	1	0	False	bucillamine
8835	378	0	0	False	bk-mda
8937	378	0	0	True	darolutamide
9108	378	0	0	False	neladenoson_bialanate
10264	378	0	0	False	galicaftor
10369	378	0	0	False	aprocitentan
10411	378	0	0	False	azd-9496
10416	378	0	0	False	adrabetadex
10669	378	0	0	False	beta-apopicropodophyllin
10719	378	0	0	False	n-desmethylvenlafaxine
10895	378	0	0	False	n-desmethylzopiclone
12285	378	0	0	False	6-oh-ondansetron
12286	378	0	0	False	7-oh-ondansetron
12369	378	0	0	False	n-(2-methyl-3-chlorophenyl)-5-hydroxy-anthranilic_acid
12684	378	0	0	False	palbociclib_m3
12707	378	0	0	False	linagliptin_cd10604
12962	378	0	0	False	labetalol_glucuronide_metabolite_(xi)
13018	378	0	0	False	1-β-hydroxylated_istradefylline_(m8)
30	379	20	7	True	methionine
34	379	1	0	True	cystine
204	379	1	0	False	ethoxzolamide
260	379	29	76	True	norepinephrine
828	379	6	41	True	rizatriptan
928	379	24	320	True	amoxicillin
930	379	2	97	True	oxybutynin
1045	379	1	9	True	chlormezanone
1126	379	40	104	True	decitabine
1435	379	0	0	False	daxalipram
1578	379	0	0	False	monoisopropylphosphorylserine
1693	379	1	0	False	7-hydroxystaurosporine
1753	379	0	0	False	2-(pyrido[1_2-e]purin-4-yl)amino-ethanol
1787	379	0	0	False	(6s)-5_6_7_8-tetrahydrofolic_acid
1980	379	0	0	False	laevulinic_acid
2108	379	5	0	False	myricetin
2239	379	0	0	False	3-phosphoglycerol
2505	379	0	0	False	3-deoxy-d-lyxo-hexonic_acid
2586	379	0	0	True	d-methionine
2829	379	0	0	False	{[7-(difluoro-phosphono-methyl)-naphthalen-2-yl]-difluoro-methyl}-phosphonic_acid
2930	379	0	0	False	(6r)-folinic_acid
2943	379	0	0	False	4-bromo-3-(5'-carboxy-4'-chloro-2'-fluorophenyl)-1-methyl-5-trifluoromethyl-pyrazol
2973	379	0	0	False	3-deoxy-d-arabino-hexonic_acid
3635	379	7	0	False	clorgiline
3911	379	0	0	False	(3s)-3-methyl-d-aspartic_acid
4116	379	0	0	False	threo-3-methyl-l-aspartic_acid
4421	379	3	51	True	dronedarone
4498	379	1	0	False	plitidepsin
4542	379	0	0	True	pretomanid
4611	379	0	0	False	iroxanadine
4631	379	0	0	False	kw-7158
4804	379	1	0	False	alovudine
4807	379	1	10	True	rufinamide
5191	379	0	0	False	17-methyl-17-alpha-dihydroequilenin
5927	379	0	0	False	4-(2-aminoethoxy)-n-(2_5-diethoxyphenyl)-3_5-dimethylbenzamide
6035	379	0	0	False	(7r_12r_13r)-13-formyl-12_14-dihydroxy-3_5_7-trimethyltetradeca-2_4-dienoic_acid
6059	379	0	0	False	methyl_1-(4-{[(2_4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)piperidine-4-carboxylate
6141	379	0	0	False	1-(3_5-dichlorophenyl)-5-methyl-1h-1_2_4-triazole-3-carboxylic_acid
6188	379	0	0	False	3-formyl-2-hydroxy-5-methyl-hexanoic_acid_hydroxyamide
6191	379	0	0	False	3-[(2_2-dimethylpropanoyl)amino]-n-1_3-thiazol-2-ylpyridine-2-carboxamide
6221	379	0	0	False	[[cyclohexanesulfonyl-glycyl]-3[pyridin-4-yl-aminomethyl]alanyl]piperidine
6301	379	0	0	False	n-{(3s_4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-n'-(4-chlorobenzyl)ethane-1_2-diamine
6598	379	0	0	False	2-({6-[(3-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)ethanol
7103	379	0	69	True	boceprevir
7135	379	2	35	True	afatinib
7400	379	1	0	False	cronidipine
7741	379	0	0	True	squalane
7850	379	0	22	True	levoleucovorin
8062	379	0	0	False	jnj-39393406
8149	379	0	0	True	binimetinib
8183	379	0	0	False	prexasertib
8295	379	0	0	True	gilteritinib
8421	379	0	0	False	glpg-0187
8425	379	0	0	True	doravirine
8576	379	0	0	True	copanlisib
8677	379	0	0	False	ozanimod
8896	379	0	0	False	velneperit
9734	379	0	0	True	fluorodopa_(18f)
9752	379	4	114	False	adefovir
9763	379	0	0	True	methyl_nicotinate
9813	379	0	0	True	racemethionine
9895	379	2	0	True	bisphenol_a_diglycidyl_ether
9924	379	0	80	False	tenofovir
10286	379	0	0	False	alovudine_f-18
10360	379	0	0	False	licogliflozin
10480	379	5	0	False	salvianolic_acid_a
10540	379	0	0	False	hm-43239
11075	379	0	0	False	methionine
11353	379	0	0	False	carboxybupranolol__4-chloro-3-[3-(1_1-dimethylethylamino)-2-hydroxy-propyloxy]benzoic_acid
11445	379	0	0	False	n-desmethyl_tapentadol
11582	379	0	0	False	2_6-dimethylaniline_(2_6-xylidine)
11662	379	0	0	False	adefovir
11680	379	0	0	False	uroterpenol-o-glucuronide
11749	379	0	0	False	o-desmethylnaproxen_acyl_glucuronide
11889	379	0	0	False	tenofovir
12121	379	0	0	False	flosequinan_sulfone
12251	379	0	0	False	nelfinavir_hydroxyl-t-_butylamide
12300	379	0	0	False	3‐(5‐([(3z)‐5‐hydroxy‐2‐oxo‐2_3‐dihydro‐1h‐indol‐3‐ylidene]methyl)‐2_4‐dimethyl‐1h‐pyrrol‐3‐yl)propanoic_acid
12622	379	0	0	False	cvt-3369
12752	379	0	0	False	norepinephrine
12911	379	0	0	False	diclofenac_o-imine_methine
13008	379	0	0	False	enb577b
13034	379	0	0	False	latanoprost_acid
13124	379	0	0	False	emtricitabine_o-glucuronide_(m-ii)
13130	379	0	0	False	loxoprofen_trans-oh_metabolite
13131	379	0	0	False	loxoprofen_cis-oh_metabolite
190	380	19	0	True	bupivacaine
568	380	7	2	True	trovafloxacin
823	380	4	1	True	mezlocillin
874	380	2	228	True	levobupivacaine
1157	380	8	4	True	cefamandole
1742	380	0	0	False	2(s)-amino-6-boronohexanoic_acid
2164	380	0	0	False	4-(2-thienyl)butyric_acid
2205	380	0	0	False	(s)-4-bromo-3-hydroxy-3-methylbutyl_diphosphate
2383	380	0	0	False	4-deoxy-alpha-d-glucose
2421	380	0	0	False	acetylamino-acetic_acid
2494	380	0	0	False	9-deazainosine
2654	380	0	0	False	ndelta-(n'-sulphodiaminophosphinyl)-l-ornithine
2681	380	0	0	False	1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol
2813	380	0	0	False	8-(2_5-dimethoxy-benzyl)-2-fluoro-9-pent-9h-purin-6-ylamine
2947	380	0	0	False	4-[(10s_14s_18s)-18-(2-amino-2-oxoethyl)-14-(1-naphthylmethyl)-8_17_20-trioxo-7_16_19-triazaspiro[5.14]icos-11-en-10-yl]benzylphosphonic_acid
3102	380	0	0	False	acid_yellow_54_free_acid
3281	380	0	0	False	beta-hydroxyaspartic_acid
3399	380	0	0	False	n-[2-hydroxy-2-(8-isopropyl-6_9-dioxo-2-oxa-7_10-diaza-bicyclo[11.2.2]heptadeca-1(16)_13(17)_14-trien-11-yl)-ethyl]-n-(3-methyl-butyl)-benzenesulfonamide_inhibitor_3
3492	380	0	0	False	prostaglandin_g2
3604	380	0	0	False	6-methyl-formycin_a
3778	380	0	0	False	4-bromo-3-hydroxy-3-methyl_butyl_diphosphate
4230	380	0	0	False	(1s_2s_3r_4s_5s)-2_3_4-trihydroxy-5-(hydroxymethyl)cyclohexyl_(1e)-2-phenyl-n-(sulfooxy)ethanimidothioate
4281	380	0	0	False	anilinomethyl_gluco-phenylimidazole
4718	380	0	0	False	uc-781
4822	380	4	258	True	rivaroxaban
4825	380	0	0	False	caldaret
4885	380	0	0	False	xr5944
4938	380	0	0	False	ropidoxuridine
5119	380	0	23	True	histrelin
5342	380	0	0	False	2-(3_4-dihydroxyphenyl)-8-(1_1-dioxidoisothiazolidin-2-yl)-3-hydroxy-6-methyl-4h-chromen-4-one
5621	380	0	0	False	ethyl_4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate
5640	380	0	0	False	n-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-{[(e)-(2-oxodihydrofuran-3(2h)-ylidene)methyl]amino}benzenesulfonamide
5884	380	0	0	False	5-amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic_acid
6018	380	0	0	False	diethyl_4-methoxyphenyl_phosphate
6855	380	0	0	False	5'-deoxy-5'-piperidin-1-ylthymidine
6936	380	0	0	False	1-methyl_ethyl_1-chloro-5-[[(5_6dihydro-2-methyl-1_4-oxathiin-3-yl)carbonyl]amino]benzoate
6978	380	0	0	False	3-methyl-5-(7-{4-[(4r)-4-methyl-4_5-dihydro-1_3-oxazol-2-yl]phenoxy}heptyl)-1_2-oxazole
7572	380	0	0	True	meradimate
7618	380	0	0	True	light_green_sf_yellowish
7970	380	0	0	False	cenicriviroc
8083	380	2	0	False	cilengitide
8229	380	0	0	False	cerc-301
8306	380	0	0	False	itacitinib
8312	380	2	0	False	hx-1171
8743	380	0	0	False	uk-432097
8940	380	5	20	True	dihydralazine
8966	380	0	0	False	roniciclib
9179	380	2	0	False	bucladesine
9321	380	0	0	False	acetylglycinamide_chloral_hydrate
9371	380	0	0	False	oxaflozane
9417	380	1	0	False	cloranolol
9517	380	1	0	False	clorexolone
9845	380	0	0	True	fosnetupitant
9914	380	0	0	False	1_2-hexanediol
10153	380	0	0	False	ethyl_8-hydroxy-alpha-(2-propynylamino)-5-quinolinepropanoate
10176	380	0	0	False	cannabivarin
10249	380	0	0	False	pf-5190457
10406	380	0	0	False	azd-8165
10522	380	0	0	False	florasulam
10743	380	0	0	False	vicriviroc_carboxylic_acid
10822	380	0	0	False	3-hydroxyomeprazole
10957	380	0	0	False	n-debutylhalofantrine
11041	380	0	0	False	7-hydroxymethotrexate
11158	380	0	0	False	estriol-3-glucuronide
11488	380	0	0	False	pefloxacin_n-oxide
11502	380	0	0	False	roflumilast_n-oxide
11528	380	0	0	False	digoxigenin_bisdigitoxoside
11787	380	0	0	False	pioglitazone_metabolite_m-xi
12011	380	0	0	False	(r)-chloroquine__n-desethyl
12367	380	0	0	False	n-desmethyl_apalutamide
12372	380	0	0	False	n-(2-methyl-3-chloro-4-metoxyphenyl)-anthranilic_acid
12382	380	0	0	False	n-(2-methyl-3-chlorophenyl)-4-hydroxy-anthranilic_acid
12501	380	0	0	False	3-(4-carboxybenzylidene)camphor
12507	380	0	0	False	r529_sulfate-conjugate
12519	380	0	0	False	n-(2-aminoethyl)-2-(2_6-dichlorophenoxy)propanamide
12774	380	0	0	False	aripiprazole_unnamed_metabolite_8
12789	380	0	0	False	4'-oh-triamterene_sulfate
12807	380	0	0	False	tamsulosin_m-3-sul_metabolite
12811	380	0	0	False	digoxigenin__bisdigitoxoside
12961	380	0	0	False	labetalol_glucuronide_metabolite_(x)
13002	380	0	0	False	desethylchloroquine
13007	380	0	0	False	counter-fragment_to_m-z_218
13186	380	0	0	False	levamlodipine_m10_metabolite
25	381	0	2	True	ornithine
224	381	7	100	True	ipratropium
556	381	4	62	True	aprepitant
924	381	6	0	True	tocainide
2141	381	0	0	False	2-(11-{2-[benzenesulfonyl-(3-methyl-butyl)-amino]-1-hydroxy-ethyl}-6_9-dioxo-2-oxa-7_10-diaza-bicyclo[11.2.2]heptadeca-1(16)_13(17)_14-trien-8-yl)-acetamide__inhibitor_2
2188	381	0	0	False	s-methyl_phosphocysteine
2410	381	21	5	True	nicotinamide
2437	381	0	0	False	4-methylthio-alpha-d-mannose
2584	381	0	0	False	tricyclazole
2611	381	0	0	False	2_4-diamino-6-[n-(3'_4'_5'-trimethoxybenzyl)-n-methylamino]pyrido[2_3-d]pyrimidine
2835	381	0	0	False	n-pyridoxyl-7-keto-8-aminopelargonic_acid-5'-monophosphate
2890	381	0	0	False	(1'r_2's)-9-(2-hydroxy-3'-keto-cyclopenten-1-yl)adenine
3007	381	0	0	False	3-iodo-benzyl_alcohol
3192	381	0	0	False	l-myo-inositol-1-phosphate
3203	381	0	0	False	cra_11092
3526	381	0	0	False	tmr
3839	381	0	0	False	4-amino_hexanoic_acid
3928	381	0	0	False	monastrol
4263	381	0	0	False	2_6-anhydro-3-deoxy-3-fluoronononic_acid
4549	381	0	0	False	sofalcone
4707	381	0	0	False	cns-5161
4925	381	1	0	False	enrasentan
5176	381	0	0	False	6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1h-benzoimidazole-5-carboxamidine
5288	381	0	0	False	2-amino-4-[2_4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-n-ethylthieno[2_3-d]pyrimidine-6-carboxamide
5419	381	1	0	False	pd-0325901
5446	381	0	0	False	n7-butyl-n2-(5-chloro-2-methylphenyl)-5-methyl[1_2_4]triazolo[1_5-a]pyrimidine-2_7-diamine
5673	381	0	0	False	2-amino-n-(4-methyl-1_3-thiazol-2-yl)-5-[(4-methyl-4h-1_2_4-triazol-3-yl)sulfanyl]benzamide
5908	381	0	0	False	6-(3_4-dihydroxybenzyl)-3-ethyl-1-(2_4_6-trichlorophenyl)-1h-pyrazolo[3_4-d]pyrimidin-4(5h)-one
5924	381	0	0	False	1-(3-(2_4-dimethylthiazol-5-yl)-4-oxo-2_4-dihydroindeno[1_2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea
6012	381	7	0	False	emodin
6089	381	0	0	False	n-[[3-fluoro-4-ethoxy-pyrid-2-yl]ethyl]-n'-[5-chloro-pyridyl]-thiourea
6160	381	0	0	False	6-chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1h)-one
6165	381	0	0	False	(s)-2-methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine
6400	381	0	0	False	2-(methylamino)-n-(4-methyl-1_3-thiazol-2-yl)-5-[(4-methyl-4h-1_2_4-triazol-3-yl)sulfanyl]benzamide
6599	381	0	0	False	2-(6-hydroxy-1_3-benzothiazol-2-yl)-1_3-thiazol-4(5h)-one
6888	381	0	0	False	1_3_5-benzenetricarboxylic_acid
6900	381	0	0	False	{1-[2-(1-formyl-propyl)-3-methanesulfonylamino-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic_acid_tert-butyl_ester
6962	381	0	0	False	(5z)-5-[(5-ethylfuran-2-yl)methylidene]-2-[[(s)-(4-fluorophenyl)-(2h-tetrazol-5-yl)methyl]amino]-1_3-thiazol-4-one
6977	381	0	0	False	5-(7-(4-(4_5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl_isoxazole
7061	381	3	23	True	lurasidone
7362	381	0	0	False	tandamine
7629	381	0	0	True	menthyl_salicylate
7700	381	1	0	True	alectinib
7959	381	0	0	False	ipatasertib
7993	381	9	0	False	anisodamine
8092	381	1	0	True	apalutamide
8345	381	0	0	False	tozadenant
8365	381	1	0	False	telcagepant
8373	381	0	0	False	bexagliflozin
8398	381	0	0	False	pf-06273340
8525	381	0	0	False	liothyronine_i-131
8731	381	0	0	False	modufolin
9059	381	5	0	False	nefiracetam
9096	381	0	0	False	hydroxypropyl_tetrahydropyrantriol
9562	381	0	0	False	tiemonium_iodide
9611	381	0	0	False	hydroquinine
9720	381	0	0	False	phenylmercuric_borate
10251	381	0	0	False	azd-4017
10266	381	0	0	False	selitrectinib
10272	381	0	0	False	pimasertib
10408	381	0	0	False	fluoroazomycin_arabinoside_f-18
10514	381	0	0	False	hydroquinidine
10644	381	0	0	False	leptazoline_c
11303	381	0	0	False	5-carboxy-2'-deoxyuridine
11605	381	0	0	False	n-desmethyl_para-o-sulfate_rosiglitazone
11694	381	0	0	False	n-desmethylterbinafine_dihydrodiol_derivative_(1)
11883	381	0	0	False	metabolite_3
12192	381	0	0	False	n-oh-riluzole
12392	381	0	0	False	aranidipine_m-3
12920	381	0	0	False	niacinamide
13185	381	0	0	False	levamlodipine_m9_metabolite
1425	382	0	0	False	3_7_11_15-tetramethyl-hexadecan-1-ol
1586	382	0	0	False	pyridoxyl-glutamic_acid-5'-monophosphate
1795	382	0	0	False	s-acetyl-cysteine
1874	382	0	0	False	4-iodo-acetamido_phenylboronic_acid
2117	382	0	0	False	(e)-2-fluoro-p-hydroxycinnamate
2747	382	0	0	False	7-nitroindazole-2-carboxamidine
2802	382	0	0	False	2_4-diamino-5-(3_4_5-trimethoxy-benzyl)-pyrimidin-1-ium
2860	382	0	0	False	1-beta-ribofuranosyl-1_3-diazepinone
3159	382	0	0	False	9-butyl-8-(2-chloro-3_4_5-trimethoxy-benzyl)-9h-purin-6-ylamine
3448	382	0	0	False	2-amino-3-hydroxy-3-phosphonooxy-propionic_acid
3672	382	0	0	False	beta-dadf__msa__multisubstrate_adduct_inhibitor
4562	382	0	0	False	ronacaleret
4747	382	0	0	True	cariprazine
5484	382	0	0	False	5-cyano-furan-2-carboxylic_acid_[5-hydroxymethyl-2-(4-methyl-piperidin-1-yl)-phenyl]-amide
5489	382	0	0	False	(5r_6e_8z_11z_14z_17z)-5-hydroxyicosa-6_8_11_14_17-pentaenoic_acid
5553	382	0	0	False	nesbuvir
5848	382	0	0	False	5-amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic_acid
6449	382	0	0	False	methylthioninium
6464	382	0	0	False	4-(4-propoxy-1h-pyrrolo[2_3-b]pyridin-3-yl)pyrimidin-2-amine
6472	382	0	0	False	2-(4-carcoxy-5-isopropylthiazolyl)benzopiperidine
6593	382	0	0	False	diethyl_(1r_2s_3r_4s)-5_6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2_3-dicarboxylate
6765	382	0	0	False	capravirine
6860	382	0	0	False	tributylstannanyl
6916	382	0	0	False	1-(2_5-dideoxy-5-pyrrolidin-1-yl-beta-l-erythro-pentofuranosyl)-5-methylpyrimidine-2_4(1h_3h)-dione
7323	382	0	0	True	florbetaben_(18f)
7408	382	27	65	True	methylene_blue
7837	382	0	0	False	thiocolchicoside
7977	382	0	0	False	pf-04991532
8161	382	0	0	False	gdc-0623
8516	382	2	0	False	galeterone
8642	382	0	0	False	decernotinib
8830	382	0	0	False	dichloroisoproterenol
9007	382	0	0	False	123i-iodometomidate
9020	382	0	0	False	ag-24322
9841	382	0	0	False	sr-9011
9851	382	0	0	False	furafylline
9982	382	1	0	False	perindoprilat
10437	382	0	0	False	glpg-0259
10527	382	0	0	False	trelagliptin
10589	382	0	0	False	nanatinostat
10987	382	0	0	False	triazolopropionic_acid
11307	382	0	0	False	5'-carboxy_meloxicam
11491	382	0	0	False	perindoprilat
11500	382	0	0	False	pyridine_n-oxide_glucuronide
11514	382	0	0	False	tizoxanide_glucuronide
11692	382	0	0	False	terbinafine_dihydrodiol_derivative_(1)
11782	382	0	0	False	p-hydroxymethoxy_ketobemidone
11783	382	0	0	False	m-hydroxymethoxy_ketobemidone
11812	382	0	0	False	6-α-hydroxygliclazide
11865	382	0	0	False	o-desmethyl_apremilast
11870	382	0	0	False	didesmethyl_cariprazine
12271	382	0	0	False	6-oh-gliclazide
12953	382	0	0	False	labetalol_benzyl_glucuronide_metabolite_(ii)
13	383	4	0	False	tetrahydrofolic_acid
62	383	0	0	False	isoleucine
114	383	1	0	True	oxyphenonium
117	383	2	37	True	glimepiride
173	383	5	60	True	liothyronine
206	383	79	0	True	valproic_acid
268	383	2	60	True	palonosetron
1014	383	4	14	True	cloxacillin
1183	383	1	1	True	penbutolol
1423	383	0	0	False	2-oxy-4-hydroxy-5-(2-hydrazinopyridine)phenylalanine
1519	383	0	0	False	allo-isoleucine
1857	383	0	0	False	2_4-diamino-5-methyl-6-[(3_4_5-trimethoxy-n-methylanilino)methyl]pyrido[2_3-d]pyrimidine
1990	383	0	0	False	iodophenyl
2172	383	0	0	False	2-deoxy-2-amino_glucitol-6-phosphate
2227	383	0	0	False	4-(carboxyvin-2-yl)phenylboronic_acid
2277	383	0	0	False	sp4160
3489	383	0	0	False	2-o-methyl_fucose
3537	383	0	0	False	[2-(1-amino-2-hydroxy-propyl)-4-(1h-indol-3-ylmethylene)-5-oxo-4_5-dihydro-imidazol-1-yl]-acetaldehyde
3692	383	0	0	False	heptane-1_2_3-triol
3752	383	0	0	False	3-(3_5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic_acid_dimethylamide
3856	383	0	0	False	inhibitor_bea388
4042	383	0	0	False	(c8-s)-hydantocidin_5'-phosphate
4073	383	0	0	False	2-(acetylamino)-2-deoxy-4-o-sulfo-alpha-d-galactopyranose
4095	383	0	0	False	6-deoxy-2-o-methyl-alpha-l-galactopyranose
4283	383	2	0	False	isopentenyl_pyrophosphate
4344	383	0	0	False	(r)-4-nitrostyrene_oxide
4349	383	0	0	False	(s)-4-nitrostyrene_oxide
4533	383	0	0	False	thymectacin
4639	383	2	84	True	telaprevir
5010	383	0	0	False	quarfloxin
5477	383	0	0	False	tamatinib
5482	383	0	0	False	n-cyclopropyl-4-pyrazolo[1_5-b]pyridazin-3-ylpyrimidin-2-amine
5509	383	0	0	False	(2r_3r)-7-(methylsulfonyl)-3-(2_4_5-trifluorophenyl)-1_2_3_4-tetrahydropyrido[1_2-a]benzimidazol-2-amine
5687	383	6	0	False	anisomycin
5699	383	0	0	False	3-(butylsulphonyl)-propanoic_acid
6447	383	0	0	False	indane-5-sulfonamide
6500	383	0	0	False	(8alpha_10alpha_13alpha_17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3_5-diene-3-carboxylic_acid
6542	383	0	0	False	(1r__2s)-cis_1_2_dihydroxy-1_2-dihydronaphthalene
6607	383	0	0	False	3-fluoro-4-hydroxybenzaldehyde_o-(cyclohexylcarbonyl)oxime
6686	383	0	0	False	(4as_4br_10bs_12as)-12a-methyl-1_3-dioxo-2-(pyridin-3-ylmethyl)-1_2_3_4_4a_4b_5_6_10b_11_12_12a-dodecahydronaphtho[2_1-f]isoquinolin-8-yl_sulfamate
6736	383	0	0	False	1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1_2_4-oxadiazol-5-yl)piperidine
7212	383	0	2	False	clobutinol
7389	383	14	50	True	nicorandil
7449	383	0	0	True	rolapitant
7730	383	0	0	True	enrofloxacin
7748	383	0	0	True	medetomidine
7835	383	1	0	True	indigotindisulfonic_acid
8177	383	3	0	True	abemaciclib
8420	383	0	0	False	evodenoson
9225	383	0	0	False	azidamfenicol
9311	383	0	0	False	mercurochrome
9599	383	0	0	False	eosin
10070	383	0	0	True	ivosidenib
10256	383	0	0	False	cep-9722
10289	383	1	0	False	nicotinamide_riboside
10403	383	0	0	False	pf-05241328
10445	383	0	0	False	ciraparantag
10889	383	0	0	False	hydroxyrepaglinide
11149	383	0	0	False	17-beta-estradiol_glucuronide
11750	383	0	0	False	o-desmethylnaproxen_o-glucuronide
11837	383	0	0	False	pinoline
11975	383	0	0	False	qs8
12086	383	0	0	False	4-fluoro-2-_hydroxycisapride
12227	383	0	0	False	n_n-diethyl-m-hydroxymethylbenzamide
12503	383	0	0	False	r406
12844	383	0	0	False	4-(6-hydroxy-2-naphthyl)-_butan-2-ol_glucuronide_(6-oh_conjugated)
55	384	0	0	True	icosapent
623	384	0	0	True	gadobenic_acid
732	384	8	3	True	aminolevulinic_acid
897	384	0	1	True	amlexanox
927	384	10	56	True	norfloxacin
982	384	105	166	True	nifedipine
1007	384	3	39	True	cefadroxil
1146	384	5	0	True	practolol
1846	384	0	0	False	5-phospho-d-arabinohydroxamic_acid
2167	384	0	0	False	(5r)-5-amino-6-hydroxyhexylcarbamic_acid
2302	384	0	0	False	(6z)-6-{[(1z)-1-{[(1r)-1-carboxy-2-methyl-2-propen-1-yl]imino}-1-hydroxy-3-sulfanyl-2-propanyl]imino}-6-hydroxynorleucine
2321	384	0	0	False	al7182
2460	384	0	0	False	pyroquilon
2498	384	0	0	False	5-hydroxymethyl-5_6-dihydrofolic_acid
2653	384	0	0	False	8_9_10-trihydroxy-7-hydroxymethyl-2-thioxo-6-oxa-1_3-diaza-spiro[4.5]decan-4-one
2852	384	0	0	False	5-methylbenzimidazole
3146	384	0	0	False	2-keto-3-deoxygluconate
3157	384	0	0	False	(4s)-4-{[(2s)-2-amino-3-oxopropyl]sulfanyl}-l-homoserinate
3793	384	0	0	False	(9s_10s)-9-(s-glutathionyl)-10-hydroxy-9_10-dihydrophenanthrene
3803	384	0	0	False	formycin_b
3811	384	0	0	False	nz2-tryptophan
4292	384	0	0	False	2-(3-guanidinophenyl)-3-mercaptopropanoic_acid
4513	384	0	0	False	eprotirome
4866	384	0	0	False	onalespib
5133	384	1	0	True	nonoxynol-9
5194	384	0	0	False	(6-[4-(aminomethyl)-2_6-dimethylphenoxy]-2-{[4-(aminomethyl)phenyl]amino}-5-bromopyrimidin-4-yl)methanol
5625	384	0	0	False	(5s)-2-{[(1s)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1_3-thiazol-4(5h)-one
6186	384	0	0	False	2-(butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl_butyrate
6445	384	0	0	False	5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine
6534	384	0	0	False	n-[(cyclohexylamino)carbonyl]glycine
6611	384	0	0	False	19-(cyclopropylamino)-4_6_7_15-tetrahydro-5h-16_1-(azenometheno)-10_14-(metheno)pyrazolo[4_3-o][1_3_9]triazacyclohexadecin-8(9h)-one
6713	384	0	0	False	3-[6-bromo-2-fluoro-3-(1h-pyrazolo[3_4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile
6731	384	0	0	False	2-(3-amino-2_5_6-trimethoxyphenyl)ethyl_5-chloro-2_4-dihydroxybenzoate
6831	384	0	0	False	4-(acetylamino)-5-amino-3-hydroxybenzoic_acid
6879	384	0	0	False	thiamphenicol
6976	384	0	0	False	(s)-5-(7-(4-(4-ethyl-4_5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole
7015	384	0	0	False	6-hydroxy-1_3-benzothiazole-2-sulfonamide
8131	384	0	0	False	pridopidine
8193	384	0	0	True	tecovirimat
8235	384	0	0	False	sovaprevir
8346	384	0	0	False	terbogrel
8355	384	0	0	False	capivasertib
8395	384	0	0	False	fexinidazole
8410	384	0	0	False	ly-2608204
8580	384	2	0	False	fasiglifam
8989	384	0	0	False	pci-27483
9039	384	0	0	False	pf-03814735
9588	384	0	0	False	sulbenicillin
9735	384	0	0	False	clofibride
9827	384	0	0	False	mrk-409
10106	384	0	0	True	diloxanide_furoate
10190	384	0	0	False	etrasimod
10252	384	0	0	False	tas-116
10310	384	0	0	False	venglustat
10494	384	0	0	False	alk-4290
10800	384	0	0	False	indomethacin_acyl_glucuronide
10820	384	0	0	False	5'-o-desmethyl_omeprazole
10945	384	0	0	False	norcocaine
11114	384	0	0	False	epa
11140	384	0	0	False	17-beta-estradiol-3-glucuronide
11151	384	0	0	False	17-alpha-estradiol-3-glucuronide
11168	384	0	0	False	estradiol-17alpha_3-d-glucuronoside
11198	384	0	0	False	norfloxacin
11452	384	0	0	False	n-despyridinyl_rosiglitazone
11719	384	0	0	False	donepezil_metabolite_m11
11720	384	0	0	False	donepezil_metabolite_m12
11912	384	0	0	False	rheinanthrone
12093	384	0	0	False	4-hydroxydebrisoquine
12109	384	0	0	False	5-o-desmethylomeprazole
12583	384	0	0	False	o-desmethyl-des-4-chlorobenzoyl_glucuronide
12842	384	0	0	False	4-(6-methoxy-2-naphthyl)-_butan-2-ol_glucuronide
240	385	1	22	True	nitisinone
421	385	77	318	True	ciprofloxacin
494	385	3	9	True	metaraminol
545	385	0	103	True	verapamil
551	385	57	180	True	epinephrine
655	385	0	47	True	tirofiban
689	385	31	647	True	ribavirin
1025	385	3	2	True	bretylium
1487	385	0	0	False	bis(5-amidino-benzimidazolyl)methane
1807	385	0	0	False	ribose-5-phosphate
2057	385	0	0	False	5-(3-amino-4_4-dihyroxy-butylsulfanylmethyl)-tetrahydro-furan-2_3_4-triol
2270	385	0	0	False	d-glucitol_6-phosphate
2433	385	0	0	False	2-phosphoglycolic_acid
2495	385	0	0	False	3-nitrophenylboronic_acid
2573	385	0	0	False	2_3-di-o-sulfo-alpha-d-glucopyranose
2712	385	0	0	False	(s)-oct-1-en-3-ol
3012	385	0	0	False	inositol-(1_3_4_5_6)-pentakisphosphate
3198	385	0	0	False	isopenicillin_n
3355	385	0	0	False	3_4-dihydro-5-methyl-isoquinolinone
3486	385	0	0	False	n-butyl-11-[(7r_8r_9s_13s_14s_17s)-3_17-dihydroxy-13-methyl-7_8_9_11_12_13_14_15_16_17-decahydro-6h-cyclopenta[a]phenanthren-7-yl]-n-methylundecanamide
3595	385	0	0	False	n-trimethyllysine
3671	385	0	0	False	2_3-dicarboxy-4-(2-chloro-phenyl)-1-ethyl-5-isopropoxycarbonyl-6-methyl-pyridinium
3864	385	0	0	False	geneticin
3880	385	0	0	False	3-isopropylmalic_acid
4356	385	0	0	False	5-methyltetrahydrofolic_acid
4691	385	0	0	False	vapitadine
4803	385	0	0	False	bimosiamose
4880	385	0	0	False	cenisertib
4903	385	1	65	True	etravirine
4952	385	0	0	False	levovirin
5233	385	0	0	False	1-({2-[2-(4-chlorophenyl)ethyl]-1_3-dioxolan-2-yl}methyl)-1h-imidazole
5485	385	0	0	False	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
5505	385	0	0	False	(3s)-1-cyclohexyl-n-(3_5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
5626	385	0	0	False	18-chloro-11_12_13_14-tetrahydro-1h_10h-8_4-(azeno)-9_15_1_3_6-benzodioxatriazacycloheptadecin-2-one
5920	385	0	0	False	2-(4-(aminomethyl)piperidin-1-yl)-n-(3_cyclohexyl-4-oxo-2_4-dihydroindeno[1_2-c]pyrazol-5-yl)acetamide
6032	385	0	0	False	(2s)-4-(4-fluorobenzyl)-n-(3-sulfanylpropyl)piperazine-2-carboxamide
6157	385	0	0	False	6-chloro-4-(cyclohexylsulfanyl)-3-propylquinolin-2(1h)-one
6285	385	0	0	False	5-(3-{3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic_acid
6303	385	0	0	False	(3as_4r_9br)-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1_2_3_3a_4_9b-hexahydrocyclopenta[c]chromen-8-ol
6377	385	0	0	False	(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2_3-difluoro-6-methoxyphenyl)methanone
6847	385	0	0	False	sinapinate
6922	385	0	0	False	4-(4-fluoro-phenylazo)-5-imino-5h-pyrazol-3-ylamine
6975	385	0	0	False	5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl_isoxazole
7425	385	0	4	True	lixisenatide
7650	385	0	0	True	levomefolic_acid
7737	385	0	0	True	florfenicol
7832	385	0	0	True	elbasvir
7971	385	0	0	False	pevonedistat
8151	385	2	0	False	uprosertib
8176	385	0	0	False	apabetalone
8223	385	0	0	False	orm-12741
8429	385	0	0	False	cipargamin
8674	385	0	0	False	emixustat
9203	385	0	0	True	acetarsol
9332	385	0	0	False	phenglutarimide
9577	385	0	0	False	butalamine
9689	385	0	0	True	muzolimine
9764	385	0	0	True	amylmetacresol
9876	385	0	0	False	dexverapamil
10419	385	0	0	False	ro-6870810
10725	385	0	0	False	valproic_acid_β-o-glucuronide
10828	385	0	0	False	n-desmethylcitalopram
10877	385	0	0	False	hydroxybupropion
10892	385	0	0	False	torasemide_m1_(hydroxytorsemide)
10933	385	0	0	False	noralfentanil
10936	385	0	0	False	(2s_3r)-2-[(1r)-1-[3_5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
11133	385	0	0	False	dopamine_4-sulfate
11145	385	0	0	False	estriol-16-glucuronide
11249	385	0	0	False	2-oxomelatonin
11448	385	0	0	False	n-desmethyl-ortho-o-sulfate_rosiglitazone
11455	385	0	0	False	n-isopropylnortropium_methobromide
11584	385	0	0	False	glycinexylidide_(gx)
11957	385	0	0	False	hydroxyperospirone
12008	385	0	0	False	(2r)-1-(3-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one
12042	385	0	0	False	5-oxo-1_4-dihydro-1_2_4-triazole-3-carbaldehyde
12375	385	0	0	False	n-(2-methyl-3-chloro-5-hydroxyphenyl)-anthranilic_acid_form_2
12421	385	0	0	False	dihydrotegafur
12558	385	0	0	False	moclobemide_m6
12753	385	0	0	False	epinephrine_e
12758	385	0	0	False	dopamine-4-o-sulfate
13043	385	0	0	False	s-desmethylcitalopram
13189	385	0	0	False	levamlodipine_m12_metabolite
299	386	0	70	True	mupirocin
329	386	6	145	True	trimethoprim
659	386	5	0	True	nalidixic_acid
1188	386	6	30	True	rasagiline
1227	386	0	0	False	stepronin
1234	386	1	0	True	almitrine
1622	386	0	0	False	tetrabutylammonium_ion
1646	386	0	0	False	n-hydroxy_1n(4-methoxyphenyl)sulfonyl-4-(z_e-n-methoxyimino)pyrrolidine-2r-carboxamide
1904	386	0	0	False	2_3-bis-benzo[1_3]dioxol-5-ylmethyl-succinic_acid
1959	386	0	0	False	dpb-t
2174	386	0	0	False	3_8_9_10-tetrahydroxy-7-hydroxymethyl-6-oxa-1_3-diaza-spiro[4.5]decane-2_4-dione
2672	386	0	0	False	para-mercury-benzenesulfonic_acid
2856	386	0	0	False	2-[4-(4-hydroxy-3-isopropyl-phenoxy)-3_5-dimethyl-phenyl]-2h-[1_2_4]triazine-3_5-dione
3452	386	0	0	False	rhodamine_6g
3517	386	0	0	False	n-propargyl-1(s)-aminoindan
3611	386	0	0	False	4-methyl_valeric_acid
3828	386	0	0	False	nitroarginine
4450	386	0	0	False	cilansetron
4764	386	0	0	True	cenobamate
5019	386	0	0	False	valrocemide
5039	386	0	283	True	dabigatran_etexilate
5142	386	1	119	True	raltegravir
5234	386	0	0	False	naphthalene-1_2_4_5_7-pentol
5294	386	0	0	False	1-(5-oxo-2_3_5_9b-tetrahydro-1h-pyrrolo[2_1-a]isoindol-9-yl)-3-(5-pyrrolidin-2-yl-1h-pyrazol-3-yl)-urea
5516	386	0	0	False	(2s_4s_5r)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2_4-dicarboxylic_acid
5613	386	0	0	False	3-(carboxymethoxy)thieno[2_3-b]pyridine-2-carboxylic_acid
5638	386	0	0	False	2-[({2-[(1z)-3-(dimethylamino)prop-1-enyl]-4-fluorophenyl}sulfonyl)amino]-5_6_7_8-tetrahydronaphthalene-1-carboxylic_acid
5690	386	0	0	False	n'-((2s_3r)-3-amino-2-hydroxy-5-(isopropylsulfanyl)pentanoyl)-n-3-chlorobenzoyl_hydrazide
5897	386	0	0	False	4-[4-(2_3-dihydro-1_4-benzodioxin-6-yl)-3-methyl-1h-pyrazol-5-yl]-6-ethylbenzene-1_3-diol
5931	386	0	0	False	n-((1r_2s)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4_5_6_7-tetrahydrothiazolo[5_4-c]pyridine-2-carboxamide
5932	386	0	0	False	n-((1r_2r)-2-(5-chloro-1h-indole-2-carboxamido)cyclohexyl)-5-methyl-4_5_6_7-tetrahydrothiazolo[5_4-c]pyridine-2-carboxamide
5994	386	0	0	False	n-(3_5-dibromo-4-hydroxyphenyl)-4-hydroxy-3_5-dimethylbenzamide
6056	386	0	0	False	4-(n-acetylamino)-3-[n-(2-ethylbutanoylamino)]benzoic_acid
6424	386	0	0	False	at-7519
7121	386	0	19	True	aclidinium
7259	386	10	47	True	trimetazidine
7294	386	1	0	True	diiodohydroxyquinoline
7386	386	0	0	True	firocoxib
7460	386	0	0	False	metralindole
7709	386	0	0	True	bambermycins
7799	386	0	0	True	butacaine
7836	386	1	0	True	venetoclax
8209	386	2	0	False	mapracorat
8215	386	0	0	False	ganetespib
8234	386	0	0	False	t-900607
8287	386	2	5	False	vinpocetine
8694	386	0	0	False	jnj-41443532
8740	386	0	0	False	vesatolimod
8981	386	0	0	False	icosabutate
9123	386	0	0	False	ripasudil
9513	386	0	0	False	ticlatone
9664	386	0	0	False	ibacitabine
9705	386	0	0	False	proxazole
9793	386	0	0	True	testosterone_enantate_benzilic_acid_hydrazone
10071	386	0	0	True	tedizolid
10551	386	0	0	False	jnj-54175446
10742	386	0	0	False	n_n-desalkylvicriviroc
10972	386	0	0	False	alpha-hydroxysalmeterol
11132	386	0	0	False	5-hydroxyindole-3-acetaldehyde
11144	386	0	0	False	2-methoxy-17beta-estradiol_3-o-(beta-d-glucuronide)
11604	386	0	0	False	para-o-sulfate_rosiglitazone
11657	386	0	0	False	active_metabolite_of_pantoprazole
11852	386	0	0	False	tedizolid
11950	386	0	0	False	5-hydroxy_dexlansoprazole
12009	386	0	0	False	(2r)-2-(tert-butylamino)-1-(3-chlorophenyl)-3-hydroxypropan-1-one
12194	386	0	0	False	ppx
12264	386	0	0	False	4'-oh-deltamethrin
12298	386	0	0	False	p-cymen-8-en-3-ol
12616	386	0	0	False	cvt-2738
12619	386	0	0	False	cvt-2513
12737	386	0	0	False	apixaban_m1_metabolite
12809	386	0	0	False	3-(4-hydroxy-2-methoxyphenoxy)-1_2-propanediol-1-carbamate
248	387	3	14	True	chlorzoxazone
278	387	20	99	True	phenylephrine
859	387	0	8	True	glycopyrronium
1034	387	41	110	True	itraconazole
1072	387	35	29	True	flumazenil
1629	387	0	0	False	[1-(4-fluorobenzyl)cyclobutyl]methyl_(1s)-1-[oxo(1h-pyrazol-5-ylamino)acetyl]pentylcarbamate
1654	387	0	0	False	d-galctopyranosyl-1-on
1696	387	0	0	False	alpha-d-arabinofuranose
1726	387	0	0	False	n-{3-[(7ar_12as_12bs)-7-oxo-1_3_4_6_7_7a_12a_12b-octahydroindolo[2_3-a]quinolizin-12(2h)-yl]propyl}propane-2-sulfonamide
1981	387	0	0	False	quinacrine_mustard
2002	387	0	0	False	o2-sulfo-glucuronic_acid
2237	387	5	28	True	thymol
2245	387	0	0	False	flaviolin
2429	387	0	0	False	4-o-methyl-beta-d-glucuronic_acid
2464	387	0	0	False	1_6-di-o-phosphono-d-allitol
2575	387	0	0	False	4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol
2678	387	0	0	False	cra_10972
2818	387	0	0	False	alpha-l-arabinose
2868	387	0	0	False	beta-l-methyl-fucose
2920	387	0	0	False	beta-l-arabinose
3087	387	0	0	False	2s_4r-4-methylglutamate
3502	387	0	0	False	alpha-l-methyl-fucose
3556	387	0	0	False	1_4-dideoxy-o2-sulfo-glucuronic_acid
3577	387	0	0	False	sp2456
3903	387	0	0	False	4-o-methyl-alpha-d-glucuronic_acid
4106	387	0	0	False	l-glycero-d-manno-heptopyranose
4133	387	0	0	False	3-[(1s)-1-(dimethylamino)ethyl]phenol
4140	387	0	0	True	gluconolactone
4199	387	0	0	False	cyclouridine
4285	387	0	0	False	2-(1_1-dimethylethyl)9-fluoro-3_6-dihydro-7h-benz[h]-imidaz[4_5-f]isoquinolin-7-one
4301	387	0	0	False	1_6-di-o-phosphono-d-mannitol
4336	387	0	0	False	5-quinoxalin-6-ylmethylene-thiazolidine-2_4-dione
4705	387	0	0	False	gpi-1485
4830	387	0	3	True	avanafil
4906	387	0	0	False	declopramide
5762	387	0	0	False	(r)-3-bromo-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
6031	387	0	0	False	(2s)-4-(4-fluorobenzyl)-n-(2-sulfanylethyl)piperazine-2-carboxamide
6036	387	0	0	False	4-(1r_3as_4r_8as_8br)-[1-difluoromethyl-2-(4-fluorobenzyl)-3-oxodecahydropyrrolo[3_4-a]pyrrolizin-4-yl]benzamidine
6074	387	0	0	False	4-amino-2-trifluoromethyl-5-hydroxymethylpyrimidine_pyrophosphate
6578	387	0	0	False	(3r)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3_4-dihydro-2h-1_2-benzothiazine_1_1-dioxide
6608	387	0	0	False	4-hydroxybenzaldehyde_o-(3_3-dimethylbutanoyl)oxime
7117	387	0	0	False	arbaclofen_placarbil
7445	387	1	40	False	pipamperone
7567	387	1	135	True	docusate
7770	387	0	0	True	roxarsone
8084	387	0	0	False	cudc-907
8221	387	7	0	False	bq-123
8367	387	4	3	False	bunazosin
9144	387	0	0	False	bamethan
9807	387	0	0	False	1_2-dichlorobenzene
9873	387	16	0	False	ns-398
10207	387	0	0	False	ro-5045337
10681	387	0	0	False	sr_49498
10757	387	0	0	False	4-(4-chlorophenyl)-4-hydroxypiperidine
10835	387	0	0	False	3-cis-hydroxyglipizide
10836	387	0	0	False	4-trans-hydroxyglipizide
10967	387	0	0	False	n-desethyloxybutynin
11156	387	0	0	False	estriol-17-glucuronide
11159	387	0	0	False	epinephrine_glucuronide
11171	387	0	0	False	16-alpha_17-beta-estriol_17-beta-d-glucuronide
11296	387	0	0	False	4-hydroxytamoxifen-o-glucuronide
11349	387	0	0	False	carbamazepine_2_3-epoxide
11385	387	0	0	False	endoxifen_o-glucuronide
11545	387	0	0	False	n4-acetyl-5-oh-sulfamethoxazole
11602	387	0	0	False	3-oxovalproic_acid
11654	387	0	0	False	active_metabolite_of_clopidogrel
11792	387	0	0	False	4-hydroxynorketamine
11930	387	0	0	False	m9_(odanacatib)
12221	387	0	0	False	tienilic_acid-s-oxide
12241	387	0	0	False	2-(4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl)oxyethanol
12272	387	0	0	False	4-trans-oh-glipizide
12360	387	0	0	False	α-artenimol-β-glucuronide
12371	387	0	0	False	n-(2-methyl-3-chloro-4-hydroxyphenyl)-anthranilic_acid
12504	387	0	0	False	r529
12832	387	0	0	False	6-hydroxy-naphthylacetic_acid_glucuronide
12849	387	0	0	False	4-(6-hydroxy-2-naphthyl)-_butan-2-one_glucuronide
12939	387	0	0	False	m9_(ketoconazole)
13155	387	0	0	False	tetrahydrocortisol_glucuronide_2
250	388	7	157	True	mefloquine
281	388	28	48	True	sulpiride
378	388	20	94	True	sotalol
437	388	10	5	True	methoxsalen
614	388	53	220	True	risperidone
620	388	16	31	True	riluzole
1590	388	0	0	False	threonine-aspartic_ester
1610	388	0	0	False	o-acetyl-l-serine
1656	388	0	0	False	4-[5-(trans-4-aminocyclohexylamino)-3-isopropylpyrazolo[1_5-a]pyrimidin-7-ylamino]-n_n-dimethylbenzenesulfonamide
1983	388	0	0	False	cyclohexane_propionic_acid
2025	388	0	0	False	cra_9334
2258	388	0	0	False	aminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
2692	388	0	0	False	(2s)-2-amino-6-[[(3r_4r)-1-[(1s)-1-carboxy-2-[(s)-methylsulfinyl]ethyl]-2-oxo-4-sulfanylazetidin-3-yl]amino]-6-oxohexanoic_acid
2722	388	0	0	False	ly341770
2767	388	0	0	False	n'-(2s_3r)-3-amino-4-cyclohexyl-2-hydroxy-butano-n-(4-methylphenyl)hydrazide
2780	388	0	0	False	6-nitroindazole
2815	388	0	0	False	6-[5-(2-oxo-hexahydro-thieno[3_4-d]imidazol-4-yl)-pentanoylamino]-hexanoic_acid
2876	388	0	0	False	2-[5-methanesulfonylamino-2-(4-aminophenyl)-6-oxo-1_6-dihydro-1-pyrimidinyl]-n-(3_3_3-trifluoro-1-isopropyl-2-oxopropyl)acetamide
3014	388	0	0	False	3_5_3'_5'-tetrachloro-biphenyl-4_4'-diol
3700	388	0	0	False	open_form_of_2'-deoxy-ribofuranose-5'-phosphate
3980	388	0	0	False	4-carboxy-4-aminobutanal
4113	388	0	0	False	2-amino-p-cresol
4239	388	0	0	False	chromophore_(glu-tyr-gly)
4335	388	0	0	False	pyrithiamine_pyrophosphate
4526	388	0	0	False	prinomastat
5716	388	0	0	False	1-(6-cyano-3-pyridylcarbonyl)-5'_8'-difluorospiro[piperidine-4_2'(1'h)-quinazoline]-4'-amine
5852	388	0	0	False	[1-(6-{6-[(1-methylethyl)amino]-1h-indazol-1-yl}pyrazin-2-yl)-1h-pyrrol-3-yl]acetic_acid
5926	388	0	0	False	1-{[(3r)-3-methyl-4-({4-[(1s)-2_2_2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide
6085	388	0	0	False	(2s)-n-[(3s)-1-(2-amino-2-oxoethyl)-2-oxo-1_2_3_4-tetrahydroquinolin-3-yl]-2-chloro-2h-thieno[2_3-b]pyrrole-5-carboxamide
6509	388	1	0	False	5_7-dihydroxy-2-(3_4_5-trihydroxyphenyl)-4h-chromen-4-one
6752	388	0	0	False	n4-hydroxy-2-isobutyl-n1-(9-oxo-1_8-diaza-tricyclo[10.6.1.013_18]nonadeca-12(19)_13_15_17-tetraen-10-yl)-succinamide
6880	388	0	0	False	4-(4-chloro-phenyl)-1-{3-[2-(4-fluoro-phenyl)-[1_3]dithiolan-2-yl]-propyl}-piperidin-4-ol
6994	388	0	0	False	2-({8-[(3r)-3-aminopiperidin-1-yl]-1_3-dimethyl-2_6-dioxo-1_2_3_6-tetrahydro-7h-purin-7-yl}methyl)benzonitrile
7080	388	8	8	False	serotonin
7537	388	0	0	True	octinoxate
7797	388	0	0	True	2-mercaptobenzothiazole
7800	388	5	0	True	caramiphen
7985	388	0	0	False	pf-03758309
8081	388	0	0	False	laninamivir_octanoate
8219	388	0	0	False	setrobuvir
8652	388	0	0	False	fosbretabulin
9254	388	0	0	False	butanilicaine
9354	388	0	0	False	droxypropine
9587	388	0	0	False	tretoquinol
9627	388	0	0	False	fenoxazoline
9840	388	0	0	False	sr-9009
10509	388	0	0	False	sb-1578
10724	388	0	0	False	4-hydroxyvalproic_acid
10786	388	0	0	False	zileuton_sulfoxide
10924	388	0	0	False	4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-pyridinium_(hpp+)
10988	388	0	0	False	triazolopyridinone_epoxide
11476	388	0	0	False	ortho-o-sulfate_rosiglitazone
11510	388	0	0	False	tazarotenic_acid
11701	388	0	0	False	haloperidol_pyridinium_ion_derivative
11941	388	0	0	False	histidyl-lysine
12013	388	0	0	False	o-demethylmetoprolol
12388	388	0	0	False	m5_(piperaquine)
12444	388	0	0	False	p-cresol_glucuronide
12646	388	0	0	False	4-hydroxyatomoxetine-o-glucuronide
12735	388	0	0	False	dapagliflozin_bms-639432__m12_metabolite
12954	388	0	0	False	labetalol_phenolic_glucuronide_metabolite_(iii)
13004	388	0	0	False	bidesethylchloroquine
158	389	55	138	True	metoprolol
296	389	0	0	True	gentian_violet_cation
835	389	8	35	True	mepivacaine
1713	389	13	0	False	rolipram
1723	389	0	0	False	al5424
1819	389	0	0	False	n7-methyl-formycin_a
1912	389	0	0	False	2_5-xylidine
1951	389	8	0	False	7-nitroindazole
2086	389	0	0	False	heparin_disaccharide_iii-s
2314	389	0	0	False	(2r_3s_5s)-2-(hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]-3-pyrrolidiniumyl_2-acetamido-2-deoxy-4-o-sulfo-beta-d-glucopyranoside
2377	389	0	0	False	2-amino-4-(hydroxymethyl-phosphinyl)butanoic_acid
2578	389	0	0	False	beta-cyclohexyl-alanine
2680	389	0	0	False	s-ethyl-n-[4-(trifluoromethyl)phenyl]isothiourea
2887	389	0	0	False	bis(5-amidino-2-benzimidazolyl)methane_ketone
2917	389	0	0	False	4-fluorobenzylamine
2935	389	0	0	False	al-6619__[2h-thieno[3_2-e]-1_2-thiazine-6-sulfonamide_2-(3-hydroxyphenyl)-3-(4-morpholinyl)-__1_1-dioxide]
2978	389	0	0	False	l-leucyl-hydroxylamine
2982	389	0	16	True	brivudine
3154	389	0	0	False	malate_ion
3249	389	0	0	False	(s)-rolipram
3687	389	0	0	False	alpha-methylisocitric_acid
3753	389	0	0	False	indole-3-glycerol_phosphate
3758	389	0	0	False	(r)-rolipram
4108	389	1	0	False	2_4-dinitrophenol
4259	389	11	0	False	camptothecin
4386	389	1	0	False	methapyrilene
4676	389	1	18	True	apremilast
4870	389	0	0	False	bnc105
5015	389	0	0	False	diapep_277
5153	389	0	0	False	(1-hydroxyheptane-1_1-diyl)bis(phosphonic_acid)
5185	389	0	0	False	6-carbamimidoyl-2-[2-hydroxy-6-(4-hydroxy-phenyl)-indan-1-yl]-hexanoic_acid
5330	389	0	0	False	6-amino-3_7-dihydro-imidazo[4_5-g]quinazolin-8-one
5421	389	0	0	False	2-(4-methylphenoxy)ethylphosphinate
5577	389	0	0	False	1-{[n-(1-imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene
5989	389	0	0	False	methyl_1-(4-{[(2_4-diaminopteridin-6-yl)methyl]amino}benzoyl)piperidine-4-carboxylate
6008	389	0	0	False	(2s_3r)-3-(6-amino-9h-purin-9-yl)nonan-2-ol
6026	389	0	0	False	4-[(e)-(3_5-diamino-1h-pyrazol-4-yl)diazenyl]phenol
6119	389	0	0	False	(4r_5r)-5-amino-1-[2-(1_3-benzodioxol-5-yl)ethyl]-4-(2_4_5-trifluorophenyl)piperidin-2-one
6533	389	0	0	False	(3ar_5r_6s_7r_7ar)-5-(hydroxymethyl)-2-propyl-5_6_7_7a-tetrahydro-3ah-pyrano[3_2-d][1_3]thiazole-6_7-diol
6602	389	2	0	False	sulthiame
6971	389	0	0	False	5-(5-(4-(4_5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl_osoxazole
7456	389	0	0	True	tenofovir_alafenamide
7762	389	0	0	True	phosmet
7898	389	0	0	False	sp-8203
8067	389	0	0	False	zd-6126
8103	389	0	0	False	ly-2090314
8286	389	0	0	True	lorlatinib
8300	389	0	0	True	erdafitinib
8315	389	0	0	False	ly-3023414
8335	389	0	0	False	emeramide
8375	389	0	0	False	mk-0777
8441	389	0	0	False	palovarotene
8488	389	0	0	False	cytochlor
8657	389	0	0	False	ondelopran
8791	389	1	2	False	malic_acid
8860	389	0	0	False	pyroxamide
9207	389	0	21	True	sultopride
9684	389	0	0	False	dibunate
10238	389	0	0	False	tc-6987
10282	389	0	0	False	satavaptan
10395	389	0	0	False	onvansertib
10506	389	0	0	False	bms-986142
10680	389	0	0	False	candesartan_o-glucuronide
10720	389	0	0	False	s-4-hydroxymephenytoin
10817	389	0	0	False	5-hydroxylansoprazole
11141	389	0	0	False	dopamine_3-o-sulfate
11227	389	0	0	False	n_n-didesmethylcitalopram
11485	389	0	0	False	p-hydroxyl-ethotoin
11599	389	0	0	False	2-n-propyl-4-oxopentanoic_acid
11954	389	0	0	False	2-hydroxy-topiroxostat
11982	389	0	0	False	lormetazepam_glucuronide
12259	389	0	0	False	4'-hydroxymephenytoin
12390	389	0	0	False	aranidipine_m-2
12697	389	0	0	False	palbociclib_m10
12757	389	0	0	False	dopamine-3-o-sulfate
13044	389	0	0	False	s-didesmethylcitalopram
13094	389	0	0	False	n-debutyl-dronedarone
35	390	3	5	True	succinic_acid
45	390	0	2	False	leucine
124	390	23	142	True	pregabalin
436	390	3	52	True	pentostatin
602	390	5	0	True	procaine
857	390	1	0	True	nandrolone_phenpropionate
929	390	4	0	True	azlocillin
1335	390	0	0	False	allylprodine
1469	390	0	0	False	topiroxostat
1504	390	0	0	False	{3-[3-(3_4-dimethoxy-phenyl)-1-(1-{1-[2-(3_4_5-trimethoxy-phenyl)-butyryl]-piperidin-2yl}-vinyloxy)-propyl]-phenoxy}-acetic_acid
1525	390	0	0	False	d-leucine
1608	390	0	0	False	4r-fluoro-n6-ethanimidoyl-l-lysine
2113	390	0	0	False	deoxyinosine
2242	390	0	0	False	n-acetylalanine
2426	390	0	0	False	c-(1-hydrogyl-beta-d-glucopyranosyl)_formamide
2577	390	0	0	False	2'_3'-dideoxycytidine-5'-monophosphate
2718	390	0	0	False	4-methoxybenzenesulfinate
3457	390	0	0	False	phosphorylated_dihydropteroate
3549	390	0	0	False	glycyl-l-alpha-amino-epsilon-pimelyl-d-alanine
3668	390	0	0	False	3_4-dimethylphenol
3796	390	0	0	False	inhibitor_bea425
4068	390	0	0	False	n-methylleucine
4422	390	1	0	False	dexloxiglumide
4640	390	1	0	False	pelitinib
4743	390	0	0	False	plinabulin
5259	390	0	0	False	n-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2_1-f][1_2_4]triazine-6-carboxamide
5317	390	0	0	False	n-{3-[(5-chloro-1h-pyrrolo[2_3-b]pyridin-3-yl)carbonyl]-2_4-difluorophenyl}propane-1-sulfonamide
5355	390	0	0	False	(2s)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
5371	390	0	0	False	2-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]indol-1-yl}ethanoic_acid
5533	390	0	0	False	6-chloro-9-hydroxy-1_3-dimethyl-1_9-dihydro-4h-pyrazolo[3_4-b]quinolin-4-one
5543	390	0	0	False	1-(5-chloro-2-methoxyphenyl)-3-{6-[2-(dimethylamino)-1-methylethoxy]pyrazin-2-yl}urea
6281	390	2	0	False	5-(2-methylpiperazine-1-sulfonyl)isoquinoline
6461	390	0	0	False	methyl_4-(2_3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate
6767	390	0	0	False	6-(4-{(1s_2s)-2-amino-1-[(dimethylamino)carbonyl]-3-[(3s)-3-fluoropyrrolidin-1-yl]-3-oxopropyl}phenyl)-1h-[1_2_4]triazolo[1_5-a]pyridin-4-ium
6777	390	0	0	False	6-amino-2-[(thiophen-2-ylmethyl)amino]-1_7-dihydro-8h-imidazo[4_5-g]quinazolin-8-one
7263	390	14	0	True	palbociclib
7288	390	0	0	True	elvitegravir
7633	390	0	0	True	amiloxate
7782	390	0	0	True	tioxidazole
7953	390	1	0	False	icotinib
8027	390	0	0	False	tmc-647055
8035	390	1	0	False	dinitrochlorobenzene
8114	390	0	0	False	vistusertib
8218	390	0	0	False	ly-3039478
8569	390	0	0	False	cpg-52852
8601	390	0	0	False	pf-00446687
8942	390	9	0	False	doxifluridine
8974	390	0	0	False	phthalocyanine
9176	390	0	0	False	tuaminoheptane
9351	390	0	0	False	simfibrate
9556	390	0	0	False	propicillin
9838	390	0	0	False	5-methoxy-n_n-dimethyltryptamine
10166	390	0	0	False	brovanexine
10400	390	0	0	False	at-001
10507	390	0	0	False	foliglurax
10819	390	0	0	False	5-hydroxyomeprazole
11023	390	0	0	False	5-hydroxyesomeprazole
11096	390	0	0	False	5-methyltetrahydrofolate
11160	390	0	0	False	11-oxo-androsterone_glucuronide
11187	390	0	0	False	o-desmethylverapamil_(d-702)
11222	390	0	0	False	5’-deoxy-5-fluorouridine
11610	390	0	0	False	alpha-(o-carboxybenzamido)glutarimide
11762	390	0	0	False	6-hydroxymethyletoricoxib_glucuronide
11793	390	0	0	False	5-hydroxynorketamine
11928	390	0	0	False	m6_(odanacatib)
11936	390	0	0	False	succinic_acid
12085	390	0	0	False	3-fluoro-4-hydroxycisapride
12103	390	0	0	False	deslakylebastine
12229	390	0	0	False	4-chlorophenylbiguanide
12429	390	0	0	False	1_2_dinor_latanoprost_acid
12835	390	0	0	False	6-methoxy-naphthylacetic_acid_glucuronide
12878	390	0	0	False	sumatriptan_metabolite_gr49336
13035	390	0	0	False	1__2_dinor_latanoprost_acid
13078	390	0	0	False	9-hydroxy-methyltriazolophthalazine
213	391	10	33	True	dihydroergotamine
321	391	0	11	True	trifluridine
414	391	14	184	True	erlotinib
447	391	143	503	True	methotrexate
1029	391	11	57	True	terazosin
1064	391	0	105	True	captopril
1303	391	0	0	False	etoxeridine
1560	391	0	0	False	dimethylallyl_diphosphate
1767	391	1	0	False	staurosporine
1782	391	0	0	False	furo[2_3d]pyrimidine_antifolate
1788	391	0	0	False	1-(3-mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic_acid
1905	391	0	0	False	3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl_4-(2-hydroxy-5-methoxybenzoyl)benzoate
1974	391	0	0	False	6-hydroxy-d-norleucine
2449	391	0	0	False	rpr131247
2466	391	0	0	False	ru79072
2862	391	0	0	False	6-(hydroxyethyldithio)-8-(aminomethylthio)octanoic_acid
3074	391	0	0	False	6-hydroxy-l-norleucine
3091	391	0	0	False	tetrastearoyl_cardiolipin
3547	391	0	0	False	freselestat
3658	391	0	0	False	2-[4-(hydroxy-methoxy-methyl)-benzyl]-7-(4-hydroxymethyl-benzyl)-1_1-dioxo-3_6-bis-phenoxymethyl-1lambda6-[1_2_7]thiadiazepane-4_5-diol
3670	391	0	0	False	9-butyl-8-(2_5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine
4776	391	0	62	True	acetylcysteine
4862	391	0	0	False	pramiconazole
4994	391	0	0	True	bosutinib
5309	391	0	0	False	n-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1r)-1-methylpropyl]amino}-1_3-thiazole-5-carboxamide
5487	391	0	0	False	5'-fluoro-2'_5'-dideoxyadenosine
5695	391	0	0	False	n~2~-1h-benzimidazol-5-yl-n~4~-(3-cyclopropyl-1h-pyrazol-5-yl)pyrimidine-2_4-diamine
5753	391	0	0	False	n'-[(1e)-(3_5-dibromo-2_4-dihydroxyphenyl)methylene]nicotinohydrazide
5936	391	0	0	False	(2_6-dimethylphenoxy)acetic_acid
6137	391	0	0	False	5-chloro-n-{(3s)-1-[(2s)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1h-indole-2-sulfonamide
6156	391	0	0	False	6-chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1h)-one
6195	391	0	0	False	7-hydroxy-4-methyl-3-(2-hydroxy-ethyl)coumarin
6433	391	0	0	False	(5r_7r_8s_9s_10r)-7-(hydroxymethyl)-3-phenyl-1_6-dioxa-2-azaspiro[4.5]dec-2-ene-8_9_10-triol
6614	391	0	0	False	4-{[4-{[(1r_2r)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide
6722	391	0	0	False	s-[(1-hydroxy-2_2_5_5-tetramethyl-4-phenyl-2_5-dihydro-1h-pyrrol-3-yl)methyl]_methanesulfonothioate
6763	391	0	0	False	(3s_5r_7r_8s_9s_10r)-7-(hydroxymethyl)-3-(2-naphthyl)-1_6-dioxa-2-azaspiro[4.5]decane-8_9_10-triol
6808	391	0	0	False	4-[(3as_4r_7r_8as_8br)-2-(1_3-benzodioxol-5-ylmethyl)-7-hydroxy-1_3-dioxodecahydropyrrolo[3_4-a]pyrrolizin-4-yl]benzenecarboximidamide
6830	391	0	0	False	4-(acetylamino)-3-hydroxy-5-nitrobenzoic_acid
6882	391	0	0	False	1-[(4s)-4-amino-5-(1_3-benzothiazol-2-yl)-5-oxopentyl]guanidine
7043	391	0	0	False	azidocillin
7081	391	0	0	False	n-methylnicotinamide
7483	391	0	15	True	pramocaine
7894	391	2	0	False	bms-690514
8053	391	0	0	False	relugolix
8165	391	0	0	False	gsk-2018682
8382	391	0	0	False	azd-4547
8736	391	6	0	False	salirasib
8773	391	0	0	True	fenpropidin
8891	391	1	0	False	lavoltidine
9111	391	0	1	True	calcium_glubionate_anhydrous
9204	391	0	0	True	dichlorobenzyl_alcohol
9758	391	0	0	False	harmaline
9787	391	0	0	False	rad-140
10188	391	0	0	True	cycloguanil
10222	391	0	0	False	macozinone
10837	391	0	0	False	6-hydroxyfluvastatin
10966	391	0	0	False	dehydronifedipine
11155	391	0	0	False	dopamine_glucuronide
11284	391	0	0	False	4-carboxynevirapine
11295	391	0	0	False	4-hydroxytamoxifen-n-glucuronide
11357	391	0	0	False	celecoxib_glucuronide
11696	391	0	0	False	ticlopidine_s-oxide_dimer
11933	391	0	0	False	m7-a_(odanacatib)
12091	391	0	0	False	coumarin_3_4-epoxide
12123	391	0	0	False	6-oh-fluvastatin
12291	391	0	0	False	rosuvastatin_5_s-lactone
12379	391	0	0	False	n-(2-hydroxymethyl-3-chloro-4-hydroxyphenyl)-anthranilic_acid
12557	391	0	0	False	moclobemide_m5
12694	391	0	0	False	palbociclib_m7
12759	391	0	0	False	dopamine-4-o-glucuronide
12941	391	0	0	False	ketoconazole_iminium_ion
13009	391	0	0	False	enb577c
132	392	4	167	True	nevirapine
485	392	29	116	True	linezolid
985	392	40	230	True	amiodarone
1086	392	22	46	True	dantrolene
1547	392	0	0	False	cra_10991
1552	392	0	0	False	m-cresol
2037	392	0	0	False	5_10-methylene-6-hydrofolic_acid
2226	392	0	0	False	8-hydroxy-2'-deoxyguanosine
2256	392	0	0	False	2_4_6-triaminoquinazoline
2567	392	0	0	False	cis-[4_5-bis-(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4_5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
2676	392	0	0	False	cysteine-s-acetamide
2690	392	0	0	False	p-iodophenol
2808	392	0	0	False	3-(2-benzothiazolylthio)-1-propanesulfonic_acid
3193	392	0	0	False	1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate
3558	392	0	0	False	erythose-4-phosphate
3605	392	0	0	False	2_4-diamino-6-[n-(3'_5'-dimethoxybenzyl)-n-methylamino]pyrido[2_3-d]pyrimidine
3974	392	0	0	False	2-deoxy-beta-d-galactose
4096	392	0	0	False	2-deoxy-glucitol-6-phosphate
4114	392	0	0	False	5-nitroindazole
4243	392	0	0	False	4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl)pyrimidin-2-yl]carbonyl]piperazine
4372	392	0	0	False	virginiamycin_s1
4688	392	0	0	False	alpha-conotoxin_vc_1.1
4967	392	7	0	False	tezosentan
5208	392	0	0	False	(13r_15s)-13-methyl-16-oxa-8_9_12_22_24-pentaazahexacyclo[15.6.2.16_9.1_12_15.0_2_7.0_21_25]heptacosa-1(24)_2_4_6_17(25)_18_20-heptaene-23_26-dione
5364	392	0	0	False	2-[(2-chloro-4-iodophenyl)amino]-n-{[(2r)-2_3-dihydroxypropyl]oxy}-3_4-difluorobenzamide
5684	392	0	0	False	(3z_5s_6r_7s_8r_8as)-3-(octylimino)hexahydro[1_3]thiazolo[3_4-a]pyridine-5_6_7_8-tetrol
5758	392	0	0	False	(r)-minalrestat
5772	392	0	0	False	1(r)-1-acetamido-2-(3-carboxy-2-hydroxyphenyl)ethyl_boronic_acid
6176	392	0	0	False	3-(4-hydroxyphenyl)-4_5-dihydro-5-isoxazole-acetic_acid_methyl_ester
6297	392	0	0	False	(methylpyridazine_piperidine_butyloxyphenyl)ethylacetate
6318	392	0	0	False	1-tert-butyl-3-(2_5-dimethylbenzyl)-1h-pyrazolo[3_4-d]pyrimidin-4-amine
6581	392	0	0	False	2-{hydroxy[2-nitro-4-(trifluoromethyl)phenyl]methylene}cyclohexane-1_3-dione
6950	392	0	0	False	4-(2-aminoethoxy)-n-(3-chloro-5-piperidin-1-ylphenyl)-3_5-dimethylbenzamide
6995	392	0	0	False	6-methoxy-9-methyl[1_3]dioxolo[4_5-h]quinolin-8(9h)-one
7020	392	0	0	False	(5r)-2-[(2-fluorophenyl)amino]-5-isopropyl-1_3-thiazol-4(5h)-one
7037	392	0	0	False	3_6-diamino-5-cyano-4-(4-ethoxyphenyl)thieno[2_3-b]pyridine-2-carboxamide
7052	392	8	0	True	nandrolone_decanoate
7269	392	0	1	True	olodaterol
7289	392	2	0	True	daclatasvir
7300	392	2	0	True	aurothioglucose
7785	392	0	0	True	virginiamycin
7924	392	13	20	True	tropisetron
8263	392	0	0	False	imagabalin
8314	392	0	0	False	presatovir
8459	392	0	0	False	mbx-2982
8491	392	0	0	False	osi-027
8748	392	0	0	False	bms-582949
8889	392	0	0	False	ombrabulin
9250	392	0	0	False	tetrazepam
9815	392	0	0	False	selisistat
10103	392	0	0	False	curcumin_sulfate
10723	392	0	0	False	3-hydroxyvalproic_acid
10792	392	0	0	False	diclofenac_acyl_glucuronide
11335	392	0	0	False	acetaminophen_cystein
11340	392	0	0	False	alpha-hydroxy-tamoxifen-o-glucuronide
11480	392	0	0	False	or-1855
11663	392	0	0	False	adefovir_monophosphate
11665	392	0	0	False	tenofovir_monophosphate
12376	392	0	0	False	n-(2-methyl-3-chloro-5-hydroxyphenyl)-anthranilic_acid_form_3
12378	392	0	0	False	n-(2-formyl-3-chlorophenyl)_anthranilic_acid
12563	392	0	0	False	amrubicin_met_a
12766	392	0	0	False	dehydro-aripiprazole_unnamed_glutathione_conjugate_metabolite_2
12771	392	0	0	False	aripiprazole_unnamed_metabolite_5
12881	392	0	0	False	propranolol_glucuronide
12938	392	0	0	False	m6_(ketoconazole)
13062	392	0	0	False	(r)-mhd_glucuronide_metabolite
13063	392	0	0	False	(s)-mhd_glucuronide_metabolite
15	393	24	0	True	ademetionine
106	393	10	42	True	midodrine
110	393	0	249	True	citalopram
594	393	5	41	True	oxacillin
1042	393	0	134	True	escitalopram
1596	393	0	0	False	beta-d-glucopyranose_spirohydantoin
2023	393	0	0	False	2-amino-3-(4-amino-1h-indol-3-yl)propanoic_acid
2120	393	0	0	False	cyclohexyl-{4-[5-(3_4-dichlorophenyl)-2-piperidin-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine
2236	393	0	0	False	1_6-fructose_diphosphate_(linear_form)
2458	393	0	0	False	9-butyl-8-(3_4_5-trimethoxybenzyl)-9h-purin-6-amine
2530	393	0	0	False	idd552
2961	393	0	0	False	4-deoxy-4-amino-beta-d-glucose
3162	393	0	0	False	6-[3-(4-morpholinyl)propyl]-2-(3-nitrophenyl)-5-thioxo-5_6_-dihydro-7h-thienol[2'_3':4_5]pyrrolo[1_2-c]imidazol-7-one
3221	393	3	0	False	phencyclidine
3333	393	0	0	False	5-mercaptoethanol-2-decenoyl-coenzyme_a
3546	393	0	0	False	5_8-di-amino-1_4-dihydroxy-anthraquinone
3613	393	0	0	False	betadex
3616	393	0	0	False	[2-(methyleneamine)-4-(4-hydroxy-benzylidine)-5-oxo-4_5-dihydro-imidazol-1-yl]-acetaldehyde
3789	393	0	0	False	(s)-2-amino-4-[(2s_3r)-2_3_5-trihydroxy-4-oxo-pentyl]mercapto-butyric_acid
4070	393	0	0	False	guanidinoethylmercaptosuccinic_acid
4445	393	6	2	True	enoximone
4557	393	0	0	True	cobimetinib
4652	393	0	0	False	pbt-1033
4845	393	6	27	True	droxidopa
4988	393	8	0	False	ilepatril
5107	393	59	39	True	capsaicin
5138	393	2	27	True	pralatrexate
5235	393	0	0	False	n-[2-(1_3-benzodioxol-5-yl)ethyl]-1-[2-(1h-imidazol-1-yl)-6-methylpyrimidin-4-yl]-d-prolinamide
5358	393	0	0	False	2-amino-7-fluoro-5-oxo-5h-chromeno[2_3-b]pyridine-3-carboxamide
5450	393	0	0	False	1-{2-oxo-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-5-yl}urea
5615	393	0	0	False	2-(1h-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2_7]naphthyridin-4-amine
5669	393	0	0	False	2_3-dimethoxy-12h-[1_3]dioxolo[5_6]indeno[1_2-c]isoquinolin-6-ium
6242	393	0	0	False	[1-(3-chloro-2-formyl-phenylcarbamoyl)-2-methyl-propyl]-carbamic_acid_tert-butyl_ester
6264	393	0	0	False	2-({[2_3_5_6-tetrafluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopenta-1_3-diene-1-carboxylic_acid
6488	393	0	0	False	2-[(4-ethynyl-2-fluorophenyl)amino]-3_4-difluoro-n-(2-hydroxyethoxy)benzamide
6572	393	0	0	False	orthonitrophenyl-beta-d-fucopyranoside
6862	393	0	0	False	n-[(1s)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
7097	393	16	67	True	crizotinib
7299	393	0	0	True	zucapsaicin
7364	393	1	0	False	etoperidone
7767	393	0	0	True	robenacoxib
8190	393	0	0	False	ponesimod
8207	393	0	0	False	epicatechin
8317	393	0	0	False	veledimex
8348	393	0	0	False	verdinexor
8376	393	0	0	False	balicatib
8383	393	1	28	False	tulobuterol
8880	393	8	0	False	buthionine_sulfoximine
9269	393	0	0	False	tioxolone
9340	393	0	0	True	edoxudine
9433	393	0	0	False	proglumetacin
9523	393	0	0	False	fabomotizole
9609	393	0	0	False	dibutylphthalate
9711	393	0	0	False	fedrilate
9719	393	8	0	False	methylatropine
9725	393	0	0	False	dipyrocetyl
9748	393	5	0	False	fosfructose
9760	393	0	0	False	iniparib
9898	393	0	0	True	cianidanol
10136	393	0	0	False	dienestrol_diacetate
10449	393	0	0	False	fosravuconazole
10490	393	0	0	False	pd-0299685
10530	393	0	0	False	cxl-1020
10575	393	0	0	False	bms-754807
11052	393	0	0	False	r-138727
11214	393	0	0	False	lorazepam_glucuronide
11417	393	0	0	False	lamivudine-monophosphate
11585	393	0	0	False	p-hydroxyfelbamate
11735	393	0	0	False	montelukast_metabolite_m5a
11736	393	0	0	False	montelukast_metabolite_m5b
11737	393	0	0	False	montelukast_metabolite_m6a
11738	393	0	0	False	montelukast_metabolite_m6b
11785	393	0	0	False	pioglitazone_metabolite_m-ii
11810	393	0	0	False	carboxygliclazide
12159	393	0	0	False	21-hydroxymontelukast
12160	393	0	0	False	21(s)-hydroxy_montelukast
12161	393	0	0	False	montelukast_1__2-diol
12209	393	0	0	False	7-hydroxytacrine
12349	393	0	0	False	m-3
12374	393	0	0	False	n-(2-methyl-3-chloro-5-hydroxyphenyl)-anthranilic_acid
12377	393	0	0	False	n-(2-hydroxymethyl-3-chlorophenyl)-anthranilic_acid
12380	393	0	0	False	n-(2-hydroxymethyl-3-chlorophenyl)-4-hydroxy-anthranilic_acid
12934	393	0	0	False	m13_(ketoconazole)
13048	393	0	0	False	3-hydroxydesloratadine
13187	393	0	0	False	levamlodipine_m1_metabolite
37	394	0	0	True	n-acetylglucosamine
184	394	17	48	True	chlorambucil
335	394	19	50	True	chloramphenicol
579	394	5	32	True	ergotamine
783	394	11	62	True	cocaine
960	394	4	0	True	ouabain
1442	394	3	39	True	roflumilast
1645	394	0	0	False	bis(5-amidino-2-benzimidazolyl)methanone
1671	394	0	0	False	3-(5-amino-7-hydroxy-(1_2_3)triazolo(4_5-d)pyrimidin-2-yl)benzoic_acid
1706	394	0	0	False	ru78262
1970	394	0	0	False	2-deoxy-2-fluoro-β-d-galactose
2136	394	0	0	False	n-valeric_acid
2313	394	0	0	False	2'-deoxycytidine
2571	394	0	0	False	arotinoid_acid
3048	394	0	0	False	fica
3160	394	0	0	False	2_6-diaminoquinazolin-4-ol
3298	394	0	0	False	(2r_4s)-2-[(1r)-1-{[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5_5-dimethyl-1_3-thiazolidine-4-carboxylic_acid
3485	394	0	0	False	1-thio-beta-d-glucopyranose
3697	394	0	0	False	2-deoxy-2-fluoro-α-d-mannose
3883	394	0	0	False	2-deoxy-2-fluoro-α-d-glucose
4064	394	0	0	False	2-deoxy-2-fluoro-β-d-mannose
4144	394	0	0	False	5-aminoimidazole_ribonucleoside
4348	394	0	0	False	5-hydroxyvaleric_acid
4547	394	0	0	False	elafibranor
4710	394	0	0	False	ns-3728
4784	394	2	0	False	garenoxacin
4941	394	1	0	False	aplaviroc
5030	394	1	0	False	naproxcinod
5483	394	0	0	False	n-(5-chloro-benzo[b]thiophen-3-ylmethyl)-2-[6-chloro-oxo-3-(2-pyridin-2-yl-ethylamino)-2h-pyrazin-1-yl]-acetamide
5629	394	0	0	False	1-(5-chloro-2_4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-yl)urea
5844	394	0	0	False	4-{5-[(z)-(2-imino-4-oxo-1_3-thiazolidin-5-ylidene)methyl]furan-2-yl}-2-(trifluoromethyl)benzenesulfonamide
5940	394	0	0	False	(3as_4r_9br)-2_2-difluoro-4-(4-hydroxyphenyl)-1_2_3_3a_4_9b-hexahydrocyclopenta[c]chromen-8-ol
6132	394	0	0	False	5-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide
6335	394	0	0	False	1-cyclopentyl-3-(1h-pyrrolo[2_3-b]pyridin-5-yl)-1h-pyrazolo[3_4-d]pyrimidin-4-amine
6366	394	0	0	False	2-(1_3-thiazol-4-yl)-1h-benzimidazole-5-sulfonamide
6406	394	0	0	False	3-{[(2_2-dioxido-1_3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1_3-oxazol-5-yl)-1_3-dihydro-2h-indol-2-one
6658	394	0	0	False	5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]pyrimidine-2_4_6(1h_3h_5h)-trione
6693	394	0	0	False	thieno[3_2-b]pyridine-2-sulfonic_acid_[2-oxo-1-(1h-pyrrolo[2_3-c]pyridin-2-ylmethyl)-pyrrolidin-3-yl]-amide
6896	394	0	0	False	(2s_3s)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic_acid
7712	394	0	0	True	cambendazole
7825	394	0	0	True	detomidine
8019	394	0	0	False	pf-03882845
8320	394	0	0	False	cudc-101
8339	394	0	0	False	cp-866087
8616	394	0	0	False	n-acetylmannosamine
8715	394	0	0	False	samatasvir
8894	394	0	0	False	tazemetostat
8908	394	0	0	False	zstk-474
8921	394	0	0	True	ozenoxacin
8961	394	0	0	False	methylinositol
9011	394	2	30	False	tiapride
9024	394	0	0	False	gandotinib
9040	394	0	0	False	cep-37440
9395	394	0	0	False	etamsylate
9435	394	0	0	False	dobesilic_acid
9508	394	0	0	False	tiocarlide
9683	394	0	0	False	brodimoprim
9865	394	0	0	False	malacidin_a
9874	394	0	0	False	hycanthone
10195	394	0	0	False	lifirafenib
10278	394	0	0	False	selonsertib
10299	394	0	0	False	lgh-447
10342	394	0	0	False	leriglitazone
10485	394	0	0	False	ro-5126766_free_base
10588	394	0	0	False	azd-9977
10756	394	0	0	False	clozapine_glucuronide
10823	394	0	0	False	5-hydroxyketamine
10824	394	0	0	False	4-hydroxyketamine
10839	394	0	0	False	5-hydroxyfluvastatin
10853	394	0	0	False	fluvoxamino_acid
10955	394	0	0	False	dehydrofelodipine
11016	394	0	0	False	desbutyl-lumefantrine
11043	394	0	0	False	ortho-hydroxyrosiglitazone
11118	394	0	0	False	isovalerylglucuronide
11167	394	0	0	False	dehydroepiandrosterone_3-glucuronide
11173	394	0	0	False	tetrahydroaldosterone-3-glucuronide
11496	394	0	0	False	phenytoin_dihydrodiol
11509	394	0	0	False	tamoxifen-n-glucuronide
11551	394	0	0	False	irbesartan_derivative_m1
11655	394	0	0	False	active_metabolite_of_esomeprazole
11674	394	0	0	False	uk-51_060
11790	394	0	0	False	pioglitazone_metabolite_m-iv
11794	394	0	0	False	6-hydroxynorketamine
11996	394	0	0	False	cis__trans-5'-oh-thalidomide
12077	394	0	0	False	5-oh-seratrodast
12124	394	0	0	False	5-oh-fluvastatin
12670	394	0	0	False	2_4-diamino-6_7-dimethoxyquinazoline_(compound)
12678	394	0	0	False	diamine_metabolite_of_the_piperazine_compound
12760	394	0	0	False	dopamine-3-o-glucuronide
12773	394	0	0	False	aripiprazole_unnamed_metabolite_7
13005	394	0	0	False	enb477
13011	394	0	0	False	enb547
13020	394	0	0	False	3-desmethylchochicine
292	395	2	32	True	eszopiclone
1065	395	2	82	True	zopiclone
1273	395	0	0	False	betaprodine
1443	395	0	0	False	2-amino-3-[4-hydroxy-6-oxo-3-(2-phenyl-cyclopropylimino)-cyclohexa-1_4-dienyl]-propionic_acid
1511	395	0	0	False	(s)-wiskostatin
1573	395	0	0	False	4-hydroxy-3-methyl_butyl_diphosphate
2040	395	0	0	False	prostaglandin_b2
2130	395	0	0	False	5-methoxy-1_2-dimethyl-3-(4-nitrophenoxymethyl)indole-4_7-dione
2274	395	0	0	False	geranyl_diphosphate
2292	395	0	0	False	2-amino-6-oxo-hexanoic_acid
2536	395	0	0	False	4-(1_3-benzodioxol-5-yl)-5-(5-ethyl-2_4-dihydroxyphenyl)-2h-pyrazole-3-carboxylic_acid
2743	395	0	0	False	(r)-n-(1-methyl-hexyl)-formamide
2853	395	0	0	False	guanosine-2'_3'-cyclophosphorothioate
2944	395	0	0	False	3'-oxo-adenosine
2953	395	0	0	False	beta-l-fucose
3090	395	0	0	False	su9516
3142	395	0	0	False	alpha-d-fucose
3402	395	0	0	False	allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine
3404	395	0	0	False	alpha-d-quinovopyranose
3579	395	0	0	False	n_o6-disulfo-glucosamine
3677	395	0	0	False	beta-d-fucose
3868	395	0	0	False	dipicolinic_acid
4055	395	0	0	False	alpha-l-fucose
4242	395	0	0	False	cyclic_3'_5'-thymidine_monophosphate
4580	395	0	0	False	mn-305
4693	395	0	0	False	rabeximod
4731	395	0	0	False	evt-101
4860	395	6	37	True	dapagliflozin
4922	395	0	0	False	meclinertant
5118	395	0	0	True	hexocyclium
5152	395	0	0	False	4-bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]thiophene-2-carboxylic_acid
5349	395	0	0	False	3-fluoro-4-{[(2r)-2-hydroxy-2-(5_5_8_8-tetramethyl-5_6_7_8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic_acid
5352	395	0	0	False	2_2'-{[9-(hydroxyimino)-9h-fluorene-2_7-diyl]bis(oxy)}diacetic_acid
5486	395	0	0	False	5r-(3_4-dichlorophenylmethyl)-3-(2-thiophenesulfonylamino)-4-oxo-2-thionothiazolidine
5529	395	0	0	False	(5-{3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazol-6-yl}-2h-1_2_3-triazol-4-yl)methanol
5609	395	0	0	False	3-fluoro-4-[2-hydroxy-2-(5_5_8_8-tetramethyl-5_6_7_8_-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic_acid
5660	395	0	0	False	4-(2-aminoethyl)-2-cyclohexylphenol
5661	395	0	0	False	4-(2-aminoethyl)-2-ethylphenol
5799	395	0	0	False	bromamphenicol
5865	395	0	0	False	n-[(1s)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
5878	395	0	0	False	2-mercapto-n-[1_2_3_10-tetramethoxy-9-oxo-5_6_7_9-tetrahydro-benzo[a]heptalen-7-yl]acetamide
6084	395	0	0	False	(s)-2-chloro-n-(1-(2-(2-hydroxyethylamino)-2-oxoethyl)-2-oxo-1_2_3_4-tetrahydroquinolin-3-yl)-6h-thieno[2_3-b]pyrrole-5-carboxamide
6092	395	0	0	False	n-butyl-3-{[6-(9h-purin-6-ylamino)hexanoyl]amino}benzamide
6703	395	0	0	False	8-benzo[1_3]dioxol-_5-ylmethyl-9-butyl-9h-
6756	395	0	0	False	5-methyl-3-(9-oxo-1_8-diaza-tricyclo[10.6.1.013_18]nonadeca-12(19)_13_15_17-tetraen-10-ylcarbamoyl)-hexanoic_acid
6772	395	0	0	False	1-[6-(2-chloro-4-methyxyphenoxy)-hexyl]-imidazole
6923	395	0	0	False	3-(5-amino-3-imino-3h-pyrazol-4-ylazo)-benzoic_acid
6990	395	0	0	False	2-{3-[(2s)-4_4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1_3(2h)-dione
7127	395	2	44	True	canagliflozin
7254	395	1	16	True	ceritinib
7744	395	0	0	True	lufenuron
7923	395	0	0	False	ipragliflozin
8004	395	0	0	False	aceneuramic_acid
8261	395	0	0	False	abediterol
8354	395	1	0	False	bergapten
8552	395	0	0	False	rimegepant
9120	395	0	0	False	alphaprodine
9882	395	0	0	False	ont-093
9905	395	0	0	True	1_2-icosapentoyl-sn-glycero-3-phosphoserine
10069	395	0	0	False	ethylhexylglycerin
10427	395	0	0	False	cilofexor
10652	395	0	0	False	(12r)-12-hydroxyeicosapentaenoic_acid
10973	395	0	0	False	m2_di-hydroxylated_metabolite
11139	395	0	0	False	5-alpha-dihydrotestosterone_glucuronide
11362	395	0	0	False	cyclic_melatonin
11369	395	0	0	False	desglymidodrine
11392	395	0	0	False	fluoxetine_glucuronide
11708	395	0	0	False	nordiazepam_o-glucuronide
11913	395	0	0	False	rhein
12164	395	0	0	False	3-[3-ethyl-5-oxo-4-(2-phenoxyethyl)-4_5-dihydro-1h-1_2_4-triazol-1-yl]propanal
12623	395	0	0	False	cvt-2537
12638	395	0	0	False	tiratricol
12875	395	0	0	False	reverse_triiodothyronine_(rt3)
13065	395	0	0	False	oxcarbazepine_glucuronide_metabolite
376	396	17	0	True	pefloxacin
388	396	16	49	True	flutamide
604	396	3	1	True	methoxamine
987	396	10	86	True	gliclazide
1088	396	42	119	True	ketamine
1298	396	0	0	False	alphameprodine
1345	396	0	0	False	betameprodine
1549	396	0	0	False	4-[3-carboxymethyl-3-(4-phosphonooxy-benzyl)-ureido]-4-[(3-cyclohexyl-propyl)-methyl-carbamoyl]butyric_acid
1741	396	0	0	False	d-mannuronic_acid
1960	396	0	0	False	n-[4-hydroxymethyl-cyclohexan-6-yl-1_2_3-triol]-4_6-dideoxy-4-aminoglucopyranoside
2260	396	0	0	False	2-hydroxy-5-({1-[(4-methylphenoxy)methyl]-3-oxoprop-1-enyl}amino)-l-tyrosine
2332	396	0	0	False	compound_19
2347	396	0	0	False	l-xylitol_5-phosphate
2423	396	0	0	False	compound_18
2634	396	0	0	False	alpha-l-iduronic_acid
2831	396	0	0	False	beta-d-glucuronic_acid
2941	396	0	0	False	4_6-dideoxy-4-{[4_5_6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino}hexopyranose
3029	396	0	0	False	n-dimethyl-lysine
3114	396	0	0	False	3-methyl-benzene-1_2-diol
3166	396	0	0	False	alpha-d-galacturonic_acid
3280	396	0	0	False	1-guanidinium-7-aminoheptane
3293	396	0	0	False	beta-d-galactopyranuronic_acid
3377	396	0	0	False	arabinose-5-phosphate
3515	396	0	0	False	5-n-allyl-arginine
3531	396	0	0	False	inhibitor_bea322
3878	396	0	0	False	fructose_-6-phosphate
3927	396	0	0	False	bilh_434
3964	396	0	0	False	al6528
4074	396	0	0	False	fructose-6-phosphate
4166	396	0	0	False	n-{2_2-difluoro-2-[(2r)-piperidin-2-yl]ethyl}-2-[2-(1h-1_2_4-triazol-1-yl)benzyl][1_3]oxazolo[4_5-c]pyridin-4-amine
4241	396	0	0	False	[(1s)-4-[[amino-[(2r)-2-amino-2-carboxyethyl]sulfanylmethylidene]amino]-1-carboxybutyl]azanium
5639	396	0	0	False	3-({2-[(2-amino-6-methylpyrimidin-4-yl)ethynyl]benzyl}amino)-1_3-oxazol-2(3h)-one
5903	396	0	0	False	4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1_2-benzisoxazol-3-yl}benzene-1_3-diol
6040	396	0	0	False	2-{[4-(trifluoromethoxy)benzoyl]amino}ethyl_dihydrogen_phosphate
6043	396	0	0	False	2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl_dihydrogen_phosphate
6133	396	0	0	False	6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide
6142	396	0	0	False	2-[4-[4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2_5-dien-1-yl]acetonitrile
6296	396	0	0	False	(methylpyridazine_piperidine_propyloxyphenyl)ethylacetate
6563	396	0	0	False	(1r_2r)-n-(2-aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide
6897	396	0	0	False	(2s_3s)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic_acid
6926	396	0	0	False	5-imino-4-(2-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine
6958	396	0	0	False	(2s)-({(5z)-5-[(5-ethyl-2-furyl)methylene]-4-oxo-4_5-dihydro-1_3-thiazol-2-yl}amino)(4-fluorophenyl)acetic_acid
7131	396	2	14	True	trametinib
7599	396	0	0	True	butamben
7922	396	2	0	False	pacritinib
8028	396	0	0	True	esketamine
8299	396	2	0	False	rigosertib
8592	396	0	0	False	atecegatran_metoxil
8617	396	27	0	True	benzodiazepine
9141	396	0	0	False	bamifylline
9244	396	0	0	False	demecolcine
9299	396	1	0	False	norfenefrine
9409	396	0	0	False	cefsulodin
9507	396	0	0	False	picloxydine
9675	396	1	0	False	tilidine
10269	396	0	0	False	iso-1_f-18
10298	396	0	0	False	bms-986141
10421	396	0	0	False	abt-072
10552	396	9	0	False	xanthohumol
10559	396	0	0	False	jnj-27548547
10618	396	0	0	True	cinoxate
10700	396	0	0	False	cis__trans-5'-hydroxythalidomide
11044	396	0	0	False	o-desmethylverapamil_(d-703)
11057	396	0	0	False	glucuronic_acid
11277	396	0	0	False	3'-azido-3'-deoxy-5'-_o-beta-d-glucopyranuronosylthymidine
11425	396	0	0	False	metyrapol
12064	396	0	0	False	4-hydroxyaripiprazole
12230	396	0	0	False	d-702
12430	396	0	0	False	1_2_3_4-tetranor_latanoprost_acid
12977	396	0	0	False	tamoxifen_glucuronides
13006	396	0	0	False	m-z_218_fragment
13036	396	0	0	False	1_2_3_4_tetranor_latanoprost_acid
13158	396	0	0	False	tetrahydrocortisone_glucuronide_2
82	397	10	38	True	esmolol
115	397	12	141	True	nelfinavir
312	397	1	53	True	methocarbamol
381	397	13	39	True	fosinopril
688	397	27	80	True	biperiden
1966	397	4	0	False	taxifolin
2115	397	0	0	False	namn
2221	397	0	0	False	l-alpha-glycerophosphorylserine
2317	397	0	0	False	n-alpha-acetyl-3_5-diiodotyrosylglycine
2558	397	0	0	False	gluco-phenylimidazole
2794	397	0	0	False	pas219
3054	397	0	0	False	(2r_3r)-2_3-dihydroxy-4-oxo-4-(propylamino)butanoic_acid
3169	397	0	0	False	2-methoxy-4-vinyl-phenol
3264	397	0	0	False	5-[4-(2-hydroxyethyl)-1-piperidinyl]-5-phenyl-2_4_6(1h_3h_5h)-pyrimidinetrione
3445	397	0	0	False	n-[tosyl-d-prolinyl]amino-ethanethiol
3484	397	0	0	False	s-acetonylcysteine
3919	397	0	0	False	ly249543
4255	397	0	0	False	chromophore_(asp-tyr-gly)
4510	397	0	0	False	amonafide
4517	397	2	0	False	cx717
4937	397	0	0	False	manitimus
4990	397	1	0	True	tafenoquine
5024	397	0	0	False	arverapamil
5081	397	0	0	False	bw-a_58c
5402	397	0	0	False	n-(6_7_9_10_17_18_20_21-octahydrodibenzo[b_k][1_4_7_10_13_16]hexaoxacyclooctadecin-2-yl)acetamide
5805	397	0	0	False	4-[3-(3-nitrophenyl)-1_2_4-oxadiazol-5-yl]butanoic_acid
5921	397	0	0	False	n-cyclopropyl-n-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1s)-2_2_2-trifluoro-1-hydroxy-1-methylethyl]benzamide
6167	397	0	0	False	n-[(1s)-1-{1-[(1r_3e)-1-acetylpent-3-en-1-yl]-1h-1_2_3-triazol-4-yl}-1_2-dimethylpropyl]benzamide
6253	397	0	0	False	9-cyclopentyl-6-[2-(3-imidazol-1-yl-propoxy)-phenylamino]-9h-purine-2-carbonitrile
6310	397	0	0	False	1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea
6426	397	0	0	False	6-(2_6-dibromophenyl)pyrido[2_3-d]pyrimidine-2_7-diamine
6555	397	0	0	False	3-{isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-5-phenylthiophene-2-carboxylic_acid
6570	397	0	0	False	4-hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic_acid_anion
6710	397	0	0	False	2-(1h-pyrrol-1-ylcarbonyl)benzene-1_3_5-triol
6940	397	0	0	False	5_6_7_8_9_10-hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[b]pyran-2-one
7155	397	0	0	True	isoaminile
7790	397	5	0	True	atipamezole
7945	397	0	0	False	latrepirdine
7946	397	0	0	False	encenicline
8009	397	0	0	False	azd-5672
8060	397	2	0	False	preladenant
8076	397	0	0	False	auy922
8256	397	0	0	True	telotristat_ethyl
8467	397	0	0	False	bms-863233
8672	397	0	0	False	etripamil
8801	397	2	0	False	abc-294640
8805	397	3	0	False	lometrexol
8854	397	0	0	False	uk-500001
8923	397	0	0	False	cafedrine
9160	397	0	0	True	tilbroquinol
9282	397	0	0	False	mesulfen
9325	397	0	0	False	carbutamide
9407	397	3	0	False	iprindole
9423	397	2	0	False	pranoprofen
9624	397	0	0	False	butamirate
9665	397	0	0	False	prenalterol
9718	397	0	0	False	ranimustine
10229	397	0	0	False	suvn-g3031
10258	397	0	0	False	pf-05180999
10780	397	0	0	False	norverapamil
11121	397	0	0	False	cholic_acid_glucuronide
11130	397	0	0	False	testosterone_glucuronide
11150	397	0	0	False	3_17-androstanediol_glucuronide
11211	397	0	0	False	cocaethylene
11305	397	0	0	False	5-hydroxydantrolene
11704	397	0	0	False	hexobarbital_glutathione_conjugate_derivative
12226	397	0	0	False	6-hydroxy-mxaa
12947	397	0	0	False	m2_(ketoconazole)
12980	397	0	0	False	α-hydroxytamoxifen_glucuronide
13157	397	0	0	False	tetrahydrocortisone_glucuronide_1
24	398	0	0	True	aspartic_acid
69	398	0	0	True	asparagine
606	398	0	0	True	homatropine_methylbromide
805	398	17	140	True	misoprostol
840	398	5	68	True	desloratadine
879	398	0	17	True	tioconazole
890	398	11	67	True	guanfacine
1143	398	3	55	True	bismuth_subsalicylate
1170	398	0	0	False	forasartan
1342	398	0	0	False	rolicyclidine
1564	398	0	0	False	sp-adenosine-3'_5'-cyclic-monophosphorothioate
1574	398	0	0	False	n_4-dihydroxy-n-oxo-3-(sulfooxy)benzenaminium
1810	398	4	0	False	prostaglandin_d2
1902	398	0	0	False	k-252a
2251	398	1	0	False	cyclic_adenosine_monophosphate
2369	398	0	0	False	d-aspartic_acid
2511	398	0	0	False	2-acetamido-2-deoxy-d-glucono-1_5-lactone
2544	398	0	0	False	{4-[3-(6_7-diethoxy-quinazolin-4-ylamino)-phenyl]-thiazol-2-yl}-methanol
2726	398	0	0	False	5-phosphoarabinonic_acid
2750	398	3	0	False	zebularine
2765	398	0	0	False	cyclopropyl-{4-[5-(3_4-dichlorophenyl)-2-[(1-methyl)-piperidin]-4-yl-3-propyl-3h-imidazol-4-yl]-pyrimidin-2-yl}amine
2825	398	0	0	False	2'_3'-dideoxythymidine-5'-monophosphate
2984	398	0	0	False	5-fluorotryptophan
3136	398	0	0	False	8_9_10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1_3-diaza-spiro[4.5]decane-2_4-dione
3328	398	0	0	False	n-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
3345	398	0	0	False	[(1s)-4-(1-aminobutylideneamino)-1-carboxybutyl]azanium
3535	398	0	0	False	4'-phosphopantetheine
3564	398	0	0	False	d-asparagine
3619	398	0	0	False	6-(oxalyl-amino)-1h-indole-5-carboxylic_acid
3641	398	0	0	False	n'-l-seryl-3'-amino-(3'-deoxy)-adenosine
4105	398	0	0	False	2-(carboxymethoxy)-5-[(2s)-2-({(2s)-2-[(3-carboxypropanoyl)amino]_-3-phenylpropanoyl}amino)-3-oxo-3-(pentylamino)propyl]benzoic_acid
4278	398	0	0	False	(3aalpha_4alpha_7alpha_7aalpha)-_3a_4_7_7a-tetrahydro-2-(4-nitro-1-naphthalenyl)-4_7-ethano-1h-isoindole-1_3(2h)-dione
4382	398	19	5	True	clioquinol
4439	398	0	0	False	piboserod
4459	398	5	39	True	milnacipran
4548	398	0	0	False	kd3010
4590	398	0	0	False	amibegron
4641	398	0	19	True	mipomersen
4651	398	0	0	False	naluzotan
4890	398	0	0	False	elacestrant
5066	398	4	13	True	lornoxicam
5490	398	0	0	False	7-(5-deoxy-beta-d-ribofuranosyl)-5-iodo-7h-pyrrolo[2_3-d]pyrimidin-4-amine
5681	398	0	0	False	(3z_5s_6r_7s_8s_8ar)-3-(octylimino)hexahydro[1_3]oxazolo[3_4-a]pyridine-5_6_7_8-tetrol
5900	398	0	0	False	cis-(1r_2s)-2-amino-1_2_3_4-tetrahydronaphthalen-1-ol
6135	398	0	0	False	(3_4_8b-trimethyl-3-oxido-2_3a-dihydro-1h-pyrrolo[2_3-b]indol-3-ium-7-yl)_n-(2-ethylphenyl)carbamate
6287	398	0	0	False	(2s)-2-{[3-(3-aminophenyl)imidazo[1_2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol
6373	398	0	0	False	(3z_5s_6r_7s_8r_8ar)-3-(octylimino)hexahydro[1_3]oxazolo[3_4-a]pyridine-5_6_7_8-tetrol
6434	398	0	0	False	{(2s)-1-[n-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl_(3-chlorophenyl)acetate
6458	398	0	0	False	(1z)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine
6535	398	0	0	False	4-{[(cyclohexylamino)carbonyl]amino}butanoic_acid
6536	398	0	0	False	6-{[(cyclohexylamino)carbonyl]amino}hexanoic_acid
6678	398	0	0	False	(3r)-3-hydroxy-2_2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl_2_2-dimethylpropanoate
6755	398	0	0	False	(2e)-3-(2-oct-1-yn-1-ylphenyl)acrylic_acid
6790	398	0	0	False	2-amino-6-(3_5-dimethylphenyl)sulfonylbenzonitrile
6849	398	0	0	False	syringate
6909	398	0	0	False	trans-(1s_2s)-2-amino-1_2_3_4-tetrahydronaphthalen-1-ol
6932	398	0	0	False	n-(5-isopropyl-thiazol-2-yl)-2-pyridin-3-yl-acetamide
7136	398	0	6	True	levomilnacipran
7528	398	0	0	True	iofetamine_i-123
7676	398	0	0	True	vanillyl_butyl_ether
7910	398	0	0	False	pf-06282999
8041	398	0	0	False	revamilast
8111	398	0	0	False	danirixin
8309	398	0	0	False	filorexant
8625	398	0	0	False	ly-2886721
8713	398	0	0	False	afn-1252
8878	398	0	0	False	intoplicine
9285	398	0	0	False	tolciclate
9441	398	1	0	False	broxyquinoline
9571	398	0	0	False	metahexamide
9866	398	0	0	False	malacidin_b
10339	398	0	0	False	farampator
10431	398	0	0	False	vx-659
10470	398	0	0	False	di-2-pyridylketone_4-cyclohexyl-4-methyl-3-thiosemicarbazone
10746	398	0	0	False	diphenhydramine_n-glucuronide
10963	398	0	0	False	descarboethoxyloratadine
11111	398	0	0	False	6_15-diketo-13_14-dihydro-pgf1-alpha
11231	398	0	0	False	1-hydroxyibuprofen
11775	398	0	0	False	lumiracoxib_metabolite_m4-m6
11979	398	0	0	False	desloratadine
11991	398	0	0	False	prt063069
12065	398	0	0	False	2_3-dichlorophenylpiperazine
12314	398	0	0	False	hydroxilated_form_of_rilpivirine_2_(m2)
12772	398	0	0	False	aripiprazole_unnamed_metabolite_6
12936	398	0	0	False	m7_(ketoconazole)
13156	398	0	0	False	tetrahydrocortisol_glucuronide_1
136	399	11	43	True	cladribine
589	399	4	58	True	sufentanil
1173	399	0	0	False	saprisartan
1464	399	0	0	False	propyl_trihydrogen_diphosphate
1633	399	0	0	False	isopropyl_beta-d-thiogalactopyranoside
1770	399	0	0	False	5-(2-fluoro-5-{(1e)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1_2-oxazole-3-carboxylic_acid
1984	399	0	0	False	4-morpholin-4-yl-piperidine-1-carboxylic_acid_[1-(3-benzenesulfonyl-1-propyl-allylcarbamoyl)-2-phenylethyl]-amide
2059	399	0	0	False	em-1745
2074	399	0	0	False	allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl-}-methyl-amin
2084	399	0	0	False	n-hydroxy-4-[(4-methoxylphenyl)sulfonyl]-2_2-dimethyl-hexahydro-1_4-thiazepine-3(s)-carboxamide
2289	399	0	0	False	peldesine
2351	399	0	0	False	9-hydroxy-8-methoxy-6-nitro-phenanthrol[3_4-d][1_3]dioxole-5-carboxylic_acid
2436	399	0	0	False	sd146
2820	399	0	0	False	n(5)-[(hydroxyamino)(imino)methyl]-l-ornithine
2846	399	0	0	False	indole-3-propanol_phosphate
3201	399	0	0	False	glutaric_acid
3710	399	0	0	False	balanol
3936	399	0	42	True	carbocisteine
4090	399	0	0	False	3-phospho-d-glyceric_acid
4138	399	0	0	False	tricarballylic_acid
4318	399	0	0	False	oregon_green_488_carboxylate
4953	399	0	0	False	ganstigmine
5001	399	0	0	False	vipadenant
5189	399	0	0	False	1-[2-amino-2-cyclohexyl-acetyl]-pyrrolidine-3-carboxylic_acid_5-chloro-2-(2-ethylcarbamoyl-ethoxy)-benzylamide
5274	399	0	0	False	3_4-bis(7-chloro-1h-indol-3-yl)-1h-pyrrole-2_5-dicarboxylic_acid
5385	399	0	0	False	(2s_3s)-3-{3-[4-(methylsulfonyl)phenyl]-1_2_4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine
5537	399	0	0	False	(3s)-n-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
5674	399	0	0	False	3-[(4-fluorophenyl)sulfanyl]-n-(4-methyl-1_3-thiazol-2-yl)-6-[(4-methyl-4h-1_2_4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
5967	399	0	0	False	(3r_4s)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2_4_5-trifluorophenyl)pyrrolidin-3-amine
6022	399	0	0	False	2-tert-butylbenzene-1_4-diol
6025	399	0	0	False	5-(3-hydroxyphenyl)isothiazol-3(2h)-one_1_1-dioxide
6223	399	0	0	False	n-(4-{[(3s)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-amine
6283	399	0	0	False	{4-[(carboxymethoxy)carbonyl]-3_3-dioxido-1-oxonaphtho[1_2-d]isothiazol-2(1h)-yl}acetic_acid
6727	399	0	0	False	3-[(4-amino-1-tert-butyl-1h-pyrazolo[3_4-d]pyrimidin-3-yl)methyl]phenol
7107	399	0	0	False	aminopterin
7275	399	27	1	True	eugenol
7392	399	2	0	False	melperone
7399	399	5	0	False	cilnidipine
7755	399	0	0	True	nitarsone
7853	399	1	0	True	oxilofrine
7926	399	0	0	False	amenamevir
7942	399	0	0	False	mitoglitazone
8010	399	0	0	False	saracatinib
8134	399	0	0	False	teneligliptin
8374	399	0	0	False	gw-274150
8411	399	0	0	False	verubecestat
9408	399	0	0	False	valethamate
9454	399	0	0	False	4-dimethylaminophenol
9960	399	0	0	True	isoeugenol
9977	399	0	0	False	fosinoprilat
10349	399	0	0	False	nemorexant
10363	399	0	0	False	ansofaxine
10381	399	0	0	False	fulacimstat
10583	399	0	0	False	abp-700
10679	399	0	0	False	candesartan_n2-glucuronide
11170	399	0	0	False	3-alpha_20-alpha-dihydroxy-5-beta-pregnane_3-glucuronide
11216	399	0	0	False	oxazepam_glucuronide
11631	399	0	0	False	fosinoprilat
11786	399	0	0	False	mitoglitazone
11931	399	0	0	False	m8_(odanacatib)
11978	399	0	0	False	alpha-hydroxyetizolam
12373	399	0	0	False	n-(2-methyl-4-hydroxyphenyl)-anthranilic_acid
12407	399	0	0	False	(4r_5s)-dm-6721
12408	399	0	0	False	(4s_5s)-dm-6722
12699	399	0	0	False	palbociclib_m13
12942	399	0	0	False	m10_(ketoconazole)
12946	399	0	0	False	ketoconazole_ketone_hydroxyl_intermediate
13019	399	0	0	False	2-demethylcolchicine
13072	399	0	0	False	phthalazine
85	400	16	69	True	carbidopa
108	400	18	132	True	pantoprazole
358	400	5	7	True	tenoxicam
439	400	27	359	True	lamotrigine
751	400	3	106	True	guaifenesin
753	400	2	20	True	eprosartan
793	400	27	53	True	dinoprostone
1023	400	16	87	True	bupropion
1202	400	20	75	True	colchicine
1503	400	0	0	False	n-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(benzo[1_3]dioxol-5-ylmethyl)-piperazino]-4-hydroxy-2-(1-phenylethyl)-pentanamide
2038	400	0	0	False	n3__n4-dimethylarginine
2199	400	0	0	False	7_8-dihydroinosine
2366	400	0	0	False	{[2-(1h-1_2_3-benzotriazol-1-yl)-2-(3_4-difluorophenyl)propane-1_3-diyl]bis[4_1-phenylene(difluoromethylene)]}bis(phosphonic_acid)
2572	400	0	0	False	3-(2-aminoethyl)-4-(aminomethyl)heptanedioic_acid
3008	400	0	0	False	3-[(1-amino-2-carboxy-ethyl)-hydroxy-phosphinoyl]-2-methyl-propionic_acid
3511	400	0	0	False	n-allyl-6-{[3-(4-bromophenyl)-1-methyl-1h-indazol-6-yl]oxy}-n-methyl-1-hexanamine
4136	400	0	0	False	4_7-dioxosebacic_acid
4343	400	0	0	False	(2r)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9h-purin-2-yl}amino)butan-1-ol
4375	400	0	0	False	neamine
4405	400	1	0	True	cyclandelate
4650	400	0	0	False	delcasertib
4869	400	0	0	False	darapladib
4879	400	0	0	False	fiboflapon
5032	400	0	50	True	vilazodone
5040	400	4	10	False	arbekacin
5137	400	0	7	True	polidocanol
5151	400	0	0	False	5-[2-(1h-pyrrol-1-yl)ethoxy]-1h-indole
5155	400	0	0	False	2-(3-fluoro-4-hydroxyphenyl)-7-vinyl-1_3-benzoxazol-5-ol
5159	400	0	0	False	n-(5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1_3-thiazol-2-yl)acetamide
5382	400	0	0	False	(4r)-4-(3-hydroxyphenyl)-n_n_7_8-tetramethyl-3_4-dihydroisoquinoline-2(1h)-carboxamide
5428	400	0	0	False	4-(4-fluorobenzyl)piperidine
5494	400	0	0	False	(5e_13e)-11-hydroxy-9_15-dioxoprosta-5_13-dien-1-oic_acid
5817	400	0	0	False	3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2_4-dienoic_acid
5885	400	0	0	False	n-[(2r_3s)-1-((2s)-2-{[(cyclopentylamino)carbonyl]amino}-3-methylbutanoyl)-2-(1-formyl-1-cyclobutyl)pyrrolidinyl]cyclopropanecarboxamide
6050	400	0	0	False	1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]thio}methyl)phenyl]-2_2_2-trifluoroethane-1_1-diol
6361	400	0	0	False	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic_acid
6513	400	0	0	False	5-[3-(2_5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2_4-diamine
6565	400	0	0	False	n-(para-glutaramidophenyl-ethyl)-piperidinium-n-oxide
6637	400	0	0	False	8-bromo-4-(2-chlorophenyl)-n-(2-hydroxyethyl)-6-methyl-1_3-dioxo-1_2_3_6-tetrahydropyrrolo[3_4-e]indole-7-carboxamide
6702	400	0	0	False	(5e_14e)-11-oxoprosta-5_9_12_14-tetraen-1-oic_acid
6838	400	0	0	False	4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic_acid
6948	400	0	0	False	variolin_b
7019	400	0	0	False	4-{2-[(7-amino-2-furan-2-yl[1_2_4]triazolo[1_5-a][1_3_5]triazin-5-yl)amino]ethyl}phenol
7054	400	2	0	False	roxatidine_acetate
7274	400	4	32	True	tetracaine
7372	400	0	0	False	cirazoline
7443	400	0	0	False	imolamine
7447	400	1	25	False	tianeptine
7467	400	0	0	True	carindacillin
7479	400	0	0	False	mersalyl
7972	400	0	0	True	talazoparib
7981	400	0	1	False	talinolol
7995	400	0	0	False	ralimetinib
8039	400	0	0	False	sapanisertib
8200	400	0	0	False	broxuridine
8230	400	0	0	False	bms-777607
8308	400	0	0	False	cordycepin
8639	400	0	0	False	mk-0686
8849	400	1	0	False	gabexate
9263	400	1	0	True	pheneticillin
9485	400	1	1	True	mephenesin
9490	400	4	0	False	naftidrofuryl
9702	400	0	0	False	aspoxicillin
10243	400	0	0	False	ensartinib
10248	400	0	0	False	remetinostat
10330	400	0	0	False	pyrotinib
10438	400	0	0	False	max-40279
10469	400	0	0	False	avapritinib
10532	400	0	0	True	ubrogepant
10587	400	0	0	False	px-102
10990	400	0	0	False	9'-desmethylgranisetron
11771	400	0	0	False	lumiracoxib_metabolite_m9
11807	400	0	0	False	nateglinide_glucuronide_and_isomers_(m4-m5-m6)
11828	400	0	0	False	o-desmethyl-n-deschlorobenzoyl_indomethacin
12245	400	0	0	False	methoxyzolpidem
12511	400	0	0	False	glutamate
12551	400	0	0	False	empagliflozin-6-glucuronide
12617	400	0	0	False	cvt-2534
12671	400	0	0	False	2-(l-piperazinyl)-_4-amino-6_7_-_dimethoxyquinazoline
12676	400	0	0	False	piperazine_derivative
12677	400	0	0	False	free_piperazine_derivative
12799	400	0	0	False	tamsulosin_m-3_metabolite
12801	400	0	0	False	tamsulosin_m-2_metabolite
12949	400	0	0	False	ketoconazole_dihydroxyl_intermediate
54	401	74	272	True	folic_acid
186	401	5	8	True	raltitrexed
200	401	7	24	True	bexarotene
201	401	4	8	True	ibutilide
230	401	34	157	True	omeprazole
511	401	56	33	True	niacin
1242	401	0	0	False	3-methylthiofentanyl
1508	401	0	0	False	isocitric_acid
1628	401	0	0	False	phosphoaspartate
1799	401	0	0	False	n-[3-(aminomethyl)benzyl]acetamidine
1909	401	0	0	False	s-butyryl-cystein
1937	401	0	0	False	(s)-oxalosuccinic_acid
2266	401	0	0	False	n-(6-{[3-(4-bromophenyl)-1_2-benzisothiazol-6-yl]oxy}hexyl)-n-methylprop-2-en-1-amine
2540	401	0	0	False	s-adenosyl-1_8-diamino-3-thiooctane
3022	401	0	0	False	2-(beta-d-glucopyranosyl)-5-methyl-1_3_4-oxadiazole
3050	401	0	0	False	4-fluorotryptophane
3170	401	0	0	False	equilenin
3734	401	0	0	False	(p-iodophenylacetylamino)methylphosphinic_acid
3800	401	0	0	False	heptulose-2-phosphate
3814	401	0	0	True	dequalinium
3930	401	0	0	False	octamethylenediamine
3951	401	0	0	False	pteric_acid
3967	401	0	0	False	4-carboxy-5-(1-pentyl)hexylsulfanyl-1_2_3-triazole
4141	401	0	0	False	4-(acetylamino)-3-[(hydroxyacetyl)amino]benzoic_acid
4489	401	4	0	False	azimilide
4595	401	2	0	False	ncx_701
4748	401	0	0	False	av-412
4971	401	0	0	False	tonabersat
5300	401	0	0	False	(2s)-8-[(tert-butoxycarbonyl)amino]-2-(1h-indol-3-yl)octanoic_acid
5416	401	0	0	False	4-bromo-n'-[(1e)-(3_5-dibromo-2_4-dihydroxyphenyl)methylidene]benzohydrazide
5600	401	0	0	False	(3r)-4_4-difluoro-3-[(4-methoxyphenyl)sulfonyl]butanoic_acid
5735	401	0	0	False	sobetirome
5793	401	0	0	False	3-({4-[(1e)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2_3-bis(trifluoromethyl)phenyl}sulfanyl)aniline
5919	401	0	0	False	n-methyl(5-(pyridin-3-yl)furan-2-yl)methanamine
5941	401	0	0	False	3-(7-diaminomethyl-naphthalen-2-yl)-propionic_acid_ethyl_ester
6115	401	0	0	False	(3s)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic_acid
6526	401	0	0	False	3-(6-cyclohexylmethoxy-9h-purin-2-ylamino)-benzenesulfonamide
6712	401	0	0	False	(3r_4s)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2_4_5-trifluorophenyl)pyrrolidin-3-amine
6800	401	0	0	False	n-((2-aminopyrimidin-5-yl)methyl)-5-(2_6-difluorophenyl)-3-ethylpyrazolo[1_5-a]pyrimidin-7-amine
7041	401	0	0	False	diloxanide
7446	401	1	0	False	propacetamol
7667	401	0	0	True	diethyltoluamide
7875	401	4	0	True	pitolisant
7883	401	0	0	False	tucatinib
8154	401	0	0	False	tesevatinib
8162	401	0	0	False	letaxaban
8456	401	0	0	False	navitoclax
8627	401	0	0	False	pyrazoloacridine
8758	401	1	0	False	tributyrin
8797	401	0	0	False	gw-493838
8826	401	0	0	False	relenopride
8991	401	0	0	False	hki-357
9266	401	0	0	False	suloctidil
9308	401	0	0	False	phenylmercuric_nitrate
9643	401	0	0	False	mephenoxalone
9681	401	0	0	False	vinburnine
9957	401	0	0	True	aripiprazole_lauroxil
10082	401	0	0	False	cpi-1205
10203	401	0	0	False	bms-830216
10224	401	0	0	False	balovaptan
10595	401	0	0	False	fialuridine
10873	401	0	0	False	1-hydroxytacrine
10891	401	0	0	False	para-hydroxyrosiglitazone
11157	401	0	0	False	ketoprofen_glucuronide
11169	401	0	0	False	11-beta-hydroxyandrosterone-3-glucuronide
11257	401	0	0	False	3-(3-hydroxyphenyl)-2-methyllactic_acid
11328	401	0	0	False	8-hydroxyclomipramine
11333	401	0	0	False	a-methyldopamine
11471	401	0	0	False	norfluoxetine_glucuronide
11518	401	0	0	False	4-hydroxynorephedrine
11691	401	0	0	False	active_metabolite_of_ticlopidine
11726	401	0	0	False	bosentan_metabolite_ro_64-1056
11842	401	0	0	False	phenoxyacetic_acid_derivative_of_rosiglitazone
11854	401	0	0	False	n-oxide_netupitant
12220	401	0	0	False	5-hydroxythiabendazole
12313	401	0	0	False	hydroxilated_form_of_rilpivirine_1_(m1)
12370	401	0	0	False	ether_glucuronide_ofn-(2-methyl-3-chloro-4-hydroxyphenyl)-anthranilic_acid
12404	401	0	0	False	(4rs_5s)-dm-6720
12494	401	0	0	False	glucuronide_conjugate_(trolamine)
12738	401	0	0	False	apixaban_m7_or_m4_metabolite
12764	401	0	0	False	dehydro-aripiprazole_unnamed_glutathione_conjugate_metabolite_1
12805	401	0	0	False	tamsulosin_m-1-sul_metabolite
733	402	0	2	True	chlorphenesin
1027	402	0	0	True	dinoprost_tromethamine
1120	402	9	111	True	dasatinib
1145	402	11	24	True	glucosamine
1548	402	0	0	False	3-[3-(2_3-dihydroxy-propylamino)-phenyl]-4-(5-fluoro-1-methyl-1h-indol-3-yl)-pyrrole-2_5-dione
1598	402	0	0	False	2-amino-8-methylquinazolin-4(3h)-one
2133	402	0	0	False	2-fluoroaniline
2390	402	0	0	False	2-deoxy-2-aminogalactose
2625	402	0	0	False	9-(6-deoxy-alpha-l-talofuranosyl)-6-methylpurine
3242	402	0	0	False	al-6629__[2h-thieno[3_2-e]-1_2-thiazine-6-sulfonamide_2-(3-methoxyphenyl)-3-(4-morpholinyl)-__1_1-dioxide]
3392	402	1	0	False	dihydrolipoic_acid
3433	402	0	0	False	5-bromothienyldeoxyuridine
3435	402	0	0	False	hexamidine
3573	402	0	0	False	9-(6-deoxy-beta-d-allofuranosyl)-6-methylpurine
4016	402	0	0	False	zk-805623
4384	402	9	70	True	metamizole
4476	402	0	0	False	eritoran
4527	402	1	0	False	rupintrivir
4726	402	0	0	False	cvt-6883
4755	402	0	0	False	px-478
4809	402	0	12	True	alogliptin
4975	402	0	0	False	dextofisopam
5031	402	2	0	False	clevudine
5304	402	0	0	False	2-chloro-n-[(1r_2r)-1-hydroxy-2_3-dihydro-1h-inden-2-yl]-6h-thieno[2_3-b]pyrrole-5-carboxamide
5408	402	0	0	False	(3s)-n-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
5564	402	0	0	False	n-(5-chloro-1_3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
5840	402	0	0	False	4-{5-[(z)-(2-imino-4-oxo-1_3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide
5870	402	2	0	True	chloramphenicol_succinate
6180	402	0	0	False	1-(2-hydroxyethyloxymethyl)-6-phenyl_thiothymine
6566	402	0	0	False	n-(3-aminopropyl)-2-nitrobenzenamine
6571	402	0	0	False	5-(para-nitrophenyl_phosphonate)-pentanoic_acid
6595	402	0	0	False	2-deoxy-3_4-bis-o-[3-(4-hydroxyphenyl)propanoyl]-l-threo-pentaric_acid
6997	402	0	0	False	1-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-4-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazine
7059	402	0	0	False	tofisopam
7115	402	1	33	True	linaclotide
7208	402	0	0	False	cyamemazine
7381	402	3	66	True	loxoprofen
7871	402	1	0	True	delamanid
7948	402	0	0	True	ribociclib
8284	402	0	0	False	ulimorelin
8324	402	1	0	False	secoisolariciresinol
8416	402	25	0	False	puerarin
8513	402	0	0	False	r-428
8820	402	9	1	True	dinoprost
8868	402	0	0	False	nvp-leq-506
8912	402	0	0	False	emicerfont
8933	402	0	0	False	quercetin-3'-o-phosphate
9016	402	0	0	False	2'-fluoro-5-ethylarabinosyluracil
9069	402	0	0	False	tak-593
10167	402	0	0	True	larotrectinib
10276	402	0	0	False	5-methyl-2'-fluoroarauracil_f-18
10473	402	0	0	False	olinciguat
10638	402	0	0	True	colchiceine
10722	402	0	0	False	5-hydroxyvalproic_acid
10753	402	0	0	False	ticlopidine_n-oxide
10754	402	0	0	False	r-95913
11070	402	0	0	False	adipic_acid
11447	402	0	0	False	n-desmethyl-ortho-hydroxy_rosiglitazone
11494	402	0	0	False	phenytoin_arene-oxide
12174	402	0	0	False	n-oh-phenacetin
12340	402	0	0	False	m6_(blonanserin)
12350	402	0	0	False	m-4
12569	402	0	0	False	oxo-etoperidone_(m3)
12808	402	0	0	False	3-(2-hydroxyphenoxy)-1_2-propanediol-1-carbamate
12913	402	0	0	False	diclofenac_2'_3'-oxide
12944	402	0	0	False	ketoconazole_epoxide_intermediate
13135	402	0	0	False	acalabrutinib_m2_metabolite
13141	402	0	0	False	acalabrutinib_m10_metabolite_(acp-5461)
143	403	1	4	True	idoxuridine
145	403	0	23	True	terconazole
215	403	7	1	True	floxuridine
317	403	15	3	True	streptozocin
488	403	12	91	True	cisapride
572	403	0	0	True	cephaloglycin
661	403	0	12	True	propantheline
766	403	6	66	True	granisetron
878	403	4	429	True	letrozole
952	403	2	0	True	emedastine
999	403	49	85	True	pioglitazone
1210	403	2	0	False	temafloxacin
1436	403	0	0	False	methyl_4-thio-beta-d-glucopyranoside
1450	403	0	0	False	2h-benzimidazol-2-amine
1655	403	0	0	False	n_n-[2_5-o-dibenzyl-glucaryl]-di-[1-amino-indan-2-ol]
1718	403	0	0	False	3_5-dimethyl-1-(3-nitrophenyl)-1h-pyrazole-4-carboxylic_acid_ethyl_ester
2430	403	0	0	False	4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1_2-a]pyrazine-6-carboxylic_acid_[1-(n-hydroxycarbamimidoyl)-piperidin-4-ylmethyl]-amide
2519	403	0	0	False	para-bromobenzyl_alcohol
2533	403	0	0	False	o4-sulfonylgalactose
2669	403	0	0	False	thymidine-5'-(dithio)phosphate
2809	403	0	0	False	2-(beta-d-glucopyranosyl)-5-methyl-1_2_3-benzimidazole
3068	403	0	0	False	o1-methyl-4-deoxy-4-thio-alpha-d-glucose
3151	403	17	0	False	alvocidib
3621	403	0	0	False	{4-[(2s)-2-acetamido-3-({(1s)-1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl}amino)-3-oxopropyl]-2-phosphonophenoxy}acetic_acid
3663	403	0	0	False	[pterin-6-yl_methanyl]-phosphonophosphate
3718	403	0	0	False	[(1-{2[(4-carbamimidoyl-phenylamino)-methyl]-1-methyl-1h-benzoimidazol-5-yl}-cyclopropyl)-pyridin-2-yl-methyleneaminooxy]-acetic_acid_ethyl_ester
4060	403	0	0	False	4-nitro-inden-1-one
4175	403	0	0	False	4-[(3-bromo-4-o-sulfamoylbenzyl)(4-cyanophenyl)amino]-4h-[1_2_4]-triazole
4429	403	0	0	False	lefradafiban
4655	403	0	0	False	facinicline
4813	403	3	84	True	prasugrel
5022	403	2	21	True	pasireotide
5183	403	0	0	False	2-hydroxy-5-(2-mercapto-ethylsulfamoyl)-benzoic_acid
5351	403	0	0	False	5-hydroxy-3-[(1r)-1-(1h-pyrrol-2-yl)ethyl]-2h-indol-2-one
5411	403	0	0	False	{3-[(5-chloro-1_3-benzothiazol-2-yl)methyl]-2_4-dioxo-3_4-dihydropyrimidin-1(2h)-yl}acetic_acid
5415	403	0	0	False	4-tert-butyl-n'-[(1e)-(3_5-dibromo-2_4-dihydroxyphenyl)methylidene]benzohydrazide
5745	403	0	0	False	1_2_3-trihydroxy-1_2_3_4-tetrahydrobenzo[a]pyrene
6098	403	0	0	False	(3r_4r_5r)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3_4-diol
6411	403	0	0	False	(1r)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
6460	403	0	0	False	4-(4-methoxy-1h-pyrrolo[2_3-b]pyridin-3-yl)pyrimidin-2-amine
6470	403	0	0	False	n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide
6537	403	0	0	False	7-{[(cyclohexylamino)carbonyl]amino}heptanoic_acid
6548	403	0	0	False	n-isobutyl-n-[4-methoxyphenylsulfonyl]glycyl_hydroxamic_acid
6604	403	0	0	False	n-1h-imidazol-2-yl-n'-[4-(1h-imidazol-2-ylamino)phenyl]benzene-1_4-diamine
6946	403	0	0	False	d-1-(4-chlorophenyl)-2-(acetamido)ethane_boronic_acid
6947	403	0	0	False	l-1-(4-chlorophenyl)-2-(acetamido)ethane_boronic_acid
7138	403	3	0	False	perospirone
7533	403	1	6	True	acrivastine
7670	403	0	0	True	ethyl_ferulate
8032	403	1	0	True	neratinib
8132	403	1	0	False	lapachone
8243	403	0	0	False	ritobegron
8254	403	4	0	False	tetrahydropalmatine
8294	403	1	0	False	dilmapimod
8378	403	0	0	False	azd-7762
8648	403	0	0	False	ly-2452473
8712	403	0	0	False	jnj-42396302
8719	403	1	0	False	indantadol
8778	403	0	0	False	dipraglurant
8796	403	1	0	False	atreleuton
8803	403	2	1	False	cicletanine
8934	403	0	0	True	isoxaflutole
9094	403	0	0	False	gsk-364735
9381	403	1	0	False	lanatoside_c
10118	403	0	0	True	menadiol_diphosphate
10442	403	0	0	False	mibenratide
10574	403	2	0	False	dihydrocapsiate
10659	403	3	0	False	climbazole
10905	403	0	0	False	hydroxychlorpromazine
10926	403	0	0	False	repaglinide_aromatic_amine
11125	403	0	0	False	6-keto-pgf1-alpha
11186	403	0	0	False	7-hydroxyticlopidine
11329	403	0	0	False	8-hydroxydesmethylclomipramine
11533	403	0	0	False	lacosamide-glucuronide
11567	403	0	0	False	8-hydroxydesmethyl_clomipramine
11658	403	0	0	False	active_metabolite_of_rabeprazole
11715	403	0	0	False	donepezil_metabolite_m7_sulfate
12130	403	0	0	False	harmol
12153	403	0	0	False	2-oh-maprotiline
12248	403	0	0	False	2-oh-zotepine
12249	403	0	0	False	3-oh-zotepine
12385	403	0	0	False	m4_(piperaquine)
12498	403	0	0	False	galactose-1-phosphate
12608	403	0	0	False	torasemide_m5
12718	403	0	0	False	p-hydroxy-methylphenidate
12736	403	0	0	False	apixaban_m2_metabolite
74	404	12	0	True	masoprocol
159	404	0	8	True	crotamiton
274	404	0	0	True	oxyphencyclimine
616	404	0	250	True	esomeprazole
903	404	17	26	True	probenecid
1012	404	0	0	True	sulfoxone
1263	404	0	0	False	fencamfamin
1320	404	0	0	False	clortermine
2019	404	0	0	False	formycin
2372	404	0	0	False	2_4-dinitrophenyl_2-deoxy-2-fluoro-beta-d-allopyranoside
2418	404	0	0	False	2_3_-dihydroxybenzoylserine
2624	404	0	0	False	5'-deoxy-5'-(methylthio)-tubercidin
2636	404	0	0	False	2-fluoro-2'-deoxyadenosine
2858	404	0	0	False	1-(4-aminophenyl)-3_5-dimethyl-1h-pyrazole-4-carboxylic_acid_ethyl_ester
2924	404	0	0	False	2-(beta-d-glucopyranosyl)-5-methyl-1_3_4-benzothiazole
3252	404	0	0	False	3'-deoxyguanosine
3530	404	0	0	False	n-{3-[5-(6-amino-purin-9-yl)-3_4-dihydroxy-tetrahydro-furan-2-yl]-allyl}-2_3-dihydroxy-5-nitro-benzamide
3557	404	0	0	False	1-deoxy-ribofuranose-5'-phosphate
3620	404	0	0	False	4-sulfonamide-[4-(thiomethylaminobutane)]benzamide
3895	404	0	0	False	n-benzoyl-n'-beta-d-glucopyranosyl_urea
3937	404	0	0	False	2-[(dioxidophosphoranyl)oxy]benzoate
4276	404	1	0	False	hydroxyfasudil
4407	404	1	0	True	debrisoquine
4516	404	0	0	False	obinepitide
4625	404	0	0	False	pradefovir_mesylate
4696	404	6	0	False	sr_140333
4754	404	0	0	True	lumateperone
5362	404	0	0	False	3-bromo-n'-[(1e)-(3_5-dibromo-2_4-dihydroxyphenyl)methylidene]benzohydrazide
5807	404	0	0	False	(2e)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
6219	404	0	0	False	dimethyl_(1r_4s)-5_6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2_5-diene-2_3-dicarboxylate
6275	404	0	0	False	(rp_sp)-o-(2r)-(1-phenoxybut-2-yl)-methylphosphonic_acid_chloride
6405	404	0	0	False	n-methyl-{4-[2-(7-oxo-6_7-dihydro-8h-[1_3]thiazolo[5_4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide
6440	404	0	0	False	2_4-dinitrophenyl_2-deoxy-2-fluoro-beta-d-mannopyranoside
6512	404	0	0	False	6-cyclohexylmethyloxy-2-(4'-hydroxyanilino)purine
6687	404	0	0	False	(1s)-1-(phenoxymethyl)propyl_methylphosphonochloridoate
6921	404	0	0	False	5-imino-4-(3-trifluoromethyl-phenylazo)-5h-pyrazol-3-ylamine
7050	404	0	0	False	isothipendyl
7824	404	0	0	True	zolazepam
7920	404	9	0	False	carnosine
8171	404	3	0	True	diacerein
8248	404	0	0	False	lcl-161
8496	404	0	0	False	resminostat
8526	404	0	0	False	bitopertin
8633	404	0	0	False	mk-5108
8892	404	1	0	False	cf-102
9037	404	3	0	False	irsogladine
9386	404	1	0	False	cyclofenil
9452	404	0	0	False	sulfatolamide
9514	404	0	0	False	metizoline
9540	404	0	0	False	metisazone
9594	404	0	0	False	sulfathiourea
9619	404	0	0	False	sulfaguanidine
9714	404	0	0	False	cyfluthrin
9722	404	0	0	False	metampicillin
9780	404	0	0	False	ulixertinib
9783	404	0	0	False	ac-262536
9871	404	0	0	False	basifungin
9928	404	0	0	False	methyl_salicylate_2-ethylbutyrate
10343	404	2	0	False	bms-791826
10517	404	0	0	False	atabecestat
10599	404	0	0	False	glucoraphanin
10621	404	2	0	True	alloin
10641	404	0	0	False	pradefovir
10781	404	0	0	False	bosentan_metabolite_ro_48-5033
10855	404	0	0	False	fluorobenzoylpropionic_acid
11116	404	0	0	False	dopa_sulfate
11148	404	0	0	False	acetaminophen_glucuronide
11153	404	0	0	False	ethyl_glucuronide
11161	404	0	0	False	3-alpha-androstanediol_glucuronide
11175	404	0	0	False	17-hydroxyandrostane-3-glucuronide
11836	404	0	0	False	5-methoxytryptamine
11981	404	0	0	False	m2_(rupatadine)
12014	404	0	0	False	deisopropylmetoprolol
12027	404	0	0	False	2-chloro-4-(piperazin-1-yl)phenol
12052	404	0	0	False	17-hete
12084	404	0	0	False	3-(4-fluorophenoxy)propanal
12294	404	0	0	False	n-desmethylthioridazine
12648	404	0	0	False	milnacipran_carbamic_acid
13099	404	0	0	False	deaminated_n_n′-didebutyl-dronedarone
306	405	3	140	True	phenoxymethylpenicillin
313	405	0	42	True	hyoscyamine
456	405	66	85	True	atropine
861	405	24	115	True	dopamine
906	405	15	59	True	procainamide
971	405	13	2	False	quinacrine
1419	405	0	0	False	sc-74020
1472	405	0	0	False	p-cresol
1867	405	0	0	False	para-isopropylaniline
1996	405	0	0	False	sr11254
2051	405	2	0	False	cyclic_gmp
2193	405	0	0	False	4-[3-oxo-3-(5_5_8_8-tetramethyl-5_6_7_8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic_acid
2693	405	0	0	False	3_8-diamino-6-phenyl-5-[6-[1-[2-[(1_2_3_4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1_2_3-triazol-5-yl]hexyl]-phenanthridinium
3039	405	0	0	False	3-mercapto-1-(1_3_4_9-tetrahydro-b-carbolin-2-yl)-propan-1-one
3092	405	0	0	False	(2s)-hydroxy(4-hydroxyphenyl)ethanenitrile
3247	405	0	0	False	tiratricol
3574	405	0	0	False	thiocitrulline
3580	405	0	0	False	cp-coeleneterazine
3741	405	0	0	False	5-methoxybenzimidazole
3801	405	0	0	False	pteroic_acid
4173	405	0	0	False	2-amino-4-chloro-3-hydroxybenzoic_acid
4959	405	1	0	False	etilevodopa
5192	405	0	0	False	1-((2-hydroxyethoxy)methyl)-5-(phenylthio)pyrimidine-2_4(1h_3h)-dione
5430	405	0	0	False	n-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine
5508	405	0	0	False	(3s)-n-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
5991	405	0	0	False	1-[(2_6-difluorophenyl)sulfonyl]-4-(2_3-dihydro-1_4-benzodioxin-6-ylsulfonyl)piperazine
6248	405	0	0	False	methyl_n-[(2'_4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alaninate
6309	405	0	0	False	2-{4-[(4-imidazo[1_2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-n-methylacetamide
6320	405	0	0	False	(2s)-4-(2_5-difluorophenyl)-n-[(3r_4s)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-n-methyl-2-phenyl-2_5-dihydro-1h-pyrrole-1-carboxamide
6413	405	0	0	False	2-{4-[2-(2-amino-4-oxo-4_7-dihydro-3h-pyrrolo[2_3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-3-methyl-butyric_acid
6606	405	0	0	False	4-hydroxybenzaldehyde_o-(cyclohexylcarbonyl)oxime
6633	405	0	0	False	2-{[(1r_2s)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide
6649	405	0	0	False	n-[4-(4-nitrophenylphospho)butanoyl]-d-alanine
6681	405	0	0	False	n-[4-(4-nitrophenylphospho)butanoyl]-l-alanine
6711	405	0	0	False	3-[2-bromo-4-(1h-pyrazolo[3_4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile
6724	405	0	0	False	(4-bromophenyl)[4-({(2e)-4-[cyclopropyl(methyl)amino]but-2-enyl}oxy)phenyl]methanone
6747	405	0	0	False	4-amino-n-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide
7421	405	0	0	False	caroxazone
7648	405	0	0	True	hexylresorcinol
7892	405	9	0	False	pictilisib
8088	405	0	0	False	gedatolisib
8121	405	0	0	False	bempedoic_acid
8426	405	0	0	False	cp-724714
8439	405	0	0	False	bms-599626
8445	405	0	0	False	idasanutlin
8681	405	4	0	False	mizoribine
8718	405	0	0	False	letrazuril
9125	405	1	0	True	alclofenac
9240	405	0	0	False	alminoprofen
9672	405	0	0	False	dixyrazine
9883	405	0	0	False	hm-30181
10096	405	0	0	False	pseudosaccharin_chloride
10404	405	0	0	False	img-7289
10474	405	0	0	False	pti-428
10499	405	0	0	False	ravoxertinib
10751	405	0	0	False	ticlopidine_s-oxide
10821	405	0	0	False	omeprazole_sulfone
10951	405	0	0	False	5-chloro-1_3-dihydro-1-(4-piperidinyl)-2h-benzimidazol-2-one
11055	405	0	0	False	cystathionine
11152	405	0	0	False	benzoyl_glucuronide_(benzoic_acid)
11250	405	0	0	False	2-pyridylacetic_acid
11260	405	0	0	False	3-(4-hydroxy-3-methoxyphenyl)-2-methyllactic_acid
11660	405	0	0	False	ticrynafen_s-oxide
11778	405	0	0	False	5-hydroxyrofecoxib_o-glucuronide
12073	405	0	0	False	m-hydroxybropirimine
12152	405	0	0	False	3-oh-maprotiline
12261	405	0	0	False	p-hydroxyphenylaprindine
12341	405	0	0	False	m7_(blonanserin)
12368	405	0	0	False	glucuronide_form_of_tolfenamic_acid
12381	405	0	0	False	n-(2-carboxy-3-chlorophenyl)-anthranilic_acid
12624	405	0	0	False	cvt-2551
12715	405	0	0	False	n-isopropylnortropium_bromide
12928	405	0	0	False	misoprostol_acid_(sc-30695)
12940	405	0	0	False	m12_(ketoconazole)
13140	405	0	0	False	acalabrutinib_m7_metabolite_(acp-5531)
129	406	16	58	True	milrinone
153	406	0	0	True	sulfanilamide
458	406	12	0	True	fenfluramine
520	406	28	0	True	clofibrate
595	406	25	35	True	apomorphine
618	406	16	72	True	pentamidine
626	406	41	73	True	deferoxamine
678	406	2	13	True	fenoldopam
708	406	1	0	True	phenmetrazine
1058	406	4	8	True	dexfenfluramine
1128	406	0	78	True	darunavir
1231	406	13	12	True	amrinone
1349	406	0	0	False	chlorphentermine
1372	406	1	5	True	phendimetrazine
1441	406	0	0	False	l-gulonic_acid_6-phosphate
1685	406	0	0	False	l-xylulose_5-phosphate
1829	406	0	0	False	6-phospho-d-gluconic_acid
1994	406	0	0	False	2'-deoxyuridine
2075	406	0	0	False	n-acetyl-serine
2304	406	0	0	False	4-(hydroxymethyl)benzamidine
2305	406	0	0	False	4_7-dimethyl-[1_10]phenanthroline
2581	406	0	0	False	fkb-001
2729	406	0	0	False	pantothenyl-aminoethanol-acetate_pivalic_acid
2901	406	2	0	False	nicotinamide_mononucleotide
3115	406	0	0	False	(1h-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic_acid
3123	406	0	0	False	bms184394
3368	406	0	0	False	9-(2-deoxy-beta-d-ribofuranosyl)-6-methylpurine
3630	406	0	0	False	(3r)-4-(p-toluenesulfonyl)-1_4-thiazane-3-carboxylicacid-l-leucine
3650	406	0	0	False	ribulose-5-phosphate
3876	406	0	0	False	n-acetylserotonin
3889	406	0	0	False	2-[trans-(4-aminocyclohexyl)amino]-6-(benzyl-amino)-9-cyclopentylpurine
4005	406	0	0	False	d-norleucine
4020	406	0	0	False	cysteine-methylene-carbamoyl-1_10-phenanthroline
4093	406	2	0	False	n-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide
4102	406	0	0	False	dexfosfoserine
4861	406	0	0	False	pegnivacogin
4929	406	1	0	False	lestaurtinib
4989	406	0	51	True	apixaban
5099	406	0	49	True	tetryzoline
5100	406	0	34	True	alcaftadine
5265	406	0	0	False	(2s_3s)-3-(4-fluorophenyl)-2_3-dihydroxypropanoic_acid
5375	406	0	0	False	(3s)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic_acid
5462	406	0	0	False	5-[(3r)-3-(5-methoxy-2'_6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2_4-diamine
5846	406	0	0	False	4-{5-[(1z)-1-(2-imino-4-oxo-1_3-thiazolidin-5-ylidene)ethyl]-2-furyl}benzenesulfonamide
6226	406	0	0	False	n-(3-mercaptopropanoyl)-d-alanine
6306	406	0	0	False	n-cyclohexyl-4-imidazo[1_2-a]pyridin-3-yl-n-methylpyrimidin-2-amine
6446	406	0	0	False	(3r_4r)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2_4_5-trifluorophenyl)piperidin-3-amine
6494	406	0	0	False	4-(1h-imidazol-1-yl)phenol
6538	406	0	0	False	(1s_2r_3s_4r_5r)-2_3_4-trihydroxy-n-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide
6832	406	0	0	False	4-{[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino}benzamide
6843	406	0	0	False	2-amino-5-[3-(1-ethyl-1h-pyrazol-5-yl)-1h-pyrrolo[2_3-b]pyridin-5-yl]-n_n-dimethylbenzamide
7086	406	0	0	False	oxogluric_acid
7122	406	3	47	True	enzalutamide
7153	406	0	0	True	isoxicam
7166	406	0	0	False	ibuproxam
7200	406	3	0	False	eperisone
7475	406	1	0	True	osimertinib
7547	406	5	12	True	hydroquinone
7566	406	0	0	True	resorcinol
7658	406	4	0	True	protocatechualdehyde
7879	406	4	0	False	afuresertib
8117	406	0	0	False	abametapir
8455	406	0	0	False	radezolid
8494	406	0	0	False	mbx-8025
8529	406	3	0	False	ci-1040
8741	406	0	0	False	azeliragon
8807	406	5	0	False	hydroxytyrosol
8967	406	0	0	False	pyronaridine
8971	406	0	0	False	chs-828
9152	406	0	0	False	sulfadicramide
9226	406	0	1	False	propamidine
9509	406	1	0	False	umifenovir
9771	406	0	0	False	deoxyepinephrine
10211	406	0	0	False	ono-2952
10257	406	0	0	False	lorecivivint
10285	406	0	0	False	elsulfavirine
10468	406	0	0	False	telaglenastat
10525	406	0	0	False	vm4-037
10613	406	0	0	False	norleucine
10867	406	0	0	False	7-hydroxyolanzapine
10995	406	0	0	False	n-acetyl-5-hydroxytryptamine
11193	406	0	0	False	phenmetrazine
11481	406	0	0	False	or-1896
11666	406	0	0	False	tenofovir_diphosphate
11725	406	0	0	False	verapamil_metabolite_d-715_(pr-22)
11902	406	0	0	False	cgp_52421
11934	406	0	0	False	m7-b_(odanacatib)
12414	406	0	0	False	n-acetyl-d-galactosamine
12728	406	0	0	False	phenolic_glucuronide
12756	406	0	0	False	3_4-dihydroxyphenylethanol_(dopet)
12948	406	0	0	False	m5_(ketoconazole)
491	407	14	27	True	nafcillin
836	407	2	49	True	zaleplon
912	407	39	251	True	melphalan
1129	407	4	108	True	telbivudine
1262	407	0	0	False	etonitazene
1470	407	0	0	False	n_n-dimethylarginine
1591	407	0	0	False	o3-sulfonylgalactose
1968	407	0	0	False	3_8-diamino-6-phenyl-5-[6-[1-[2-[(1_2_3_4-tetrahydro-9-acridinyl)amino]ethyl]-1h-1_2_3-triazol-4-yl]hexyl]-phenanthridinium
2121	407	0	0	False	5-bromo-n[2-(dimethylamino)ethyl]-9-aminoacridine-4-carboxamide
2217	407	0	0	False	hydantocidin-5'-phosphate
3031	407	0	0	False	n-carbamyl-d-methionine
3149	407	0	0	False	7-methylguanosine
4052	407	0	0	False	cra_10656
4066	407	14	0	False	thymidine
4415	407	0	0	False	cediranib
4460	407	7	0	True	ximelagatran
4621	407	0	0	False	tandutinib
4649	407	0	0	False	regrelor
4659	407	0	0	False	prx-08066
4667	407	0	0	False	glypromate
4887	407	0	0	False	relacatib
5027	407	1	0	False	clazosentan
5333	407	0	0	False	(3r_4r)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine
5384	407	0	0	False	2-chloro-n-[(3r)-2-oxo-1_2_3_4-tetrahydroquinolin-3-yl]-6h-thieno[2_3-b]pyrrole-5-carboxamide
5642	407	0	0	False	(2-acetyl-5-methylanilino)(2_6-dibromophenyl)acetamide
5707	407	0	0	False	4-[3-(2-chloro-4_5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic_acid
5749	407	0	0	False	4-tert-butylbenzenesulfonic_acid
5841	407	0	0	False	2-amino-6-[2-(1h-indol-6-yl)ethyl]pyrimidin-4(3h)-one
5854	407	0	0	False	2-(6-chloro-3-{[2_2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluoro-6-pyridinyl)methyl]acetamide
5867	407	0	0	False	n-[4-(2_4-dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-n'_n'-dimethyl-benzene-1_4-diamine
5893	407	0	0	False	s-[3-(3_4-dichlorophenyl)-3-oxopropyl]-l-cysteine
5951	407	0	0	False	(3r_4s)-1-[(4-amino-5h-pyrrolo[3_2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol
6109	407	0	0	False	(2e)-3-(2_4-dichlorophenyl)-n-hydroxyacrylamide
6164	407	0	0	False	5-chloro-thiophene-2-carboxylic_acid_((3s_4s)-1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide
6233	407	0	0	False	n-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2_2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide
6482	407	0	0	False	4-({[(4-methylpiperazin-1-yl)amino]carbonothioyl}amino)benzenesulfonamide
6617	407	0	0	False	4-(2-(1h-imidazol-4-yl)ethylamino)-2-(phenylamino)pyrazolo[1_5-a][1_3_5]triazine-8-carbonitrile
6834	407	0	0	False	(5r)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1_3-thiazol-4(5h)-one
6891	407	0	0	False	n-(trans-4'-nitro-4-stilbenyl)-n-methyl-5-amino-pentanoic_acid
6955	407	0	0	False	12-(2-hydroxyethyl)-2-(1-methylethoxy)-13_14-dihydronaphtho[2_1-a]pyrrolo[3_4-c]carbazol-5(12h)-one
7197	407	0	0	False	etamivan
7373	407	3	0	False	synephrine
7517	407	0	0	True	protirelin
7903	407	2	20	False	mosapride
8020	407	0	0	True	tilarginine
8118	407	0	0	False	riboprine
8493	407	0	0	False	zamicastat
8737	407	0	0	False	mubritinib
8789	407	3	0	False	butylphthalide
8794	407	0	0	False	tak-901
8863	407	0	0	False	mk-0752
8904	407	1	0	False	irdabisant
9071	407	0	0	False	jtk-853
9255	407	0	0	False	guaiazulen
9503	407	0	0	False	pyrrolnitrin
9630	407	0	0	False	penamecillin
9679	407	2	0	False	penfluridol
10182	407	0	0	True	hydroxystilbamidine
10317	407	0	0	True	voxelotor
10611	407	0	0	False	vericiguat
11225	407	0	0	False	citalopram_propionic_acid
11244	407	0	0	False	2-hydroxyclomipramine
11254	407	0	0	False	difluorodeoxyuridine_monophosphate
11548	407	0	0	False	irbesartan_derivative_m5
11549	407	0	0	False	irbesartan_derivative_m7
11664	407	0	0	False	adefovir_diphosphate
11773	407	0	0	False	lumiracoxib_metabolite_m2
11789	407	0	0	False	pioglitazone_metabolite_m-v
11861	407	0	0	False	m8
11974	407	0	0	False	qs10
11980	407	0	0	False	m1_(rupatadine)
12069	407	0	0	False	2-(3_4-dimethoxyphenyl)acetaldehyde
12260	407	0	0	False	n-[3-(n_ndiethylamino)propyl]-n-phenyl-2-aminoindan-5-ol
12386	407	0	0	False	m3_(piperaquine)
12393	407	0	0	False	aranidipine_m-5
12406	407	0	0	False	dm-6704
12469	407	0	0	False	sulfate_conjugate_(oxyquinoline)
12559	407	0	0	False	moclobemide_m3
12628	407	0	0	False	cvt-5029
21	408	0	12	False	arginine
191	408	0	0	True	dapiprazole
344	408	8	74	True	loratadine
360	408	23	148	True	montelukast
638	408	30	151	True	clopidogrel
785	408	19	96	True	zonisamide
841	408	9	183	True	methyldopa
909	408	0	0	False	carphenazine
1111	408	1	0	True	decamethonium
1260	408	0	0	False	diethyltryptamine
1265	408	0	0	False	2_5-dimethoxyamphetamine
1535	408	0	0	False	4-phospho-l-threonic_acid
1619	408	0	0	False	n-carbamyl-d-valine
1665	408	0	0	False	(2s_3s)-2-azanyl-3-methyl-pentanedioic_acid
1673	408	0	0	False	alpha-cyclodextrin_(cyclohexa-amylose)
1716	408	0	0	False	3-chlorophenol
1834	408	0	0	False	bis-benzamidine
2049	408	0	0	False	ethyl_(4r)-4-{[(2r_5s)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methyl-1_2-oxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl]amino}-5-[(3s)-2-oxo-3-pyrrolidinyl]pentanoate
2327	408	0	0	False	4-hydroxy-l-threonine-5-monophosphate
2601	408	0	0	False	ru78783
2744	408	0	0	False	(1-methyl-1h-imidazol-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-methanone
2773	408	0	0	False	8-(2_5-dimethoxy-benzyl)-2-fluoro-9h-purin-6-ylamine
2788	408	0	0	False	4-phospho-d-erythronic_acid
2848	408	0	0	False	cra_10433
3348	408	0	0	False	4-carbamoyl-4-{[6-(difluoro-phosphono-methyl)-naphthalene-2-carbonyl]-amino}-butyric_acid
3395	408	0	0	False	4-hydroperoxy-2-methoxy-phenol
3437	408	0	0	False	3-methylglutamic_acid
3643	408	0	0	False	d-arginine
3675	408	0	0	False	(5-methyl-6-oxo-1_6-dihydro-pyridin-3-yl)-1_2-dideoxy-ribofuranose-5-monophosphate
3726	408	30	2	True	berberine
3731	408	2	0	False	4-methyl-1_2-benzenediol
3805	408	0	0	False	matairesinol
3819	408	0	0	False	4-nitrophenyl_phosphate
4058	408	0	0	False	n-1_2_3_4-tetrahydronaphth-1-yl-2'-[3_5-dimethoxybenzamido]-2'-deoxy-adenosine
4163	408	0	0	False	2'-o-butyl-5-methyluridine
4514	408	0	0	False	anatibant
4605	408	6	0	False	canertinib
4767	408	0	0	False	dimethylcurcumin
4983	408	2	0	True	midostaurin
5157	408	0	0	False	n-(2-hydroxy-1_1-dimethylethyl)-1-methyl-3-(1h-pyrrolo[2_3-b]pyridin-2-yl)-1h-indole-5-carboxamide
5248	408	0	0	False	1-butanoyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
5260	408	0	0	False	(z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide
5302	408	0	0	False	(1r_2r_3r_4s_5r)-4-(benzylamino)-5-(methylthio)cyclopentane-1_2_3-triol
5381	408	0	0	False	{3-[(4_5_7-trifluoro-1_3-benzothiazol-2-yl)methyl]-1h-indol-1-yl}acetic_acid
5532	408	0	0	False	n-(3-cyano-4_5_6_7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
5597	408	0	0	False	3-({[(1z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic_acid
5644	408	0	0	False	1-[n-4'-nitrobenzyl-n-4'-carboxybutylamino]methylphosphonic_acid
5662	408	0	0	False	4-(2-aminoethyl)benzenesulfonyl_fluoride
5743	408	0	0	False	(tert-butyloxycarbonyl)-alanyl-amino_ethyl-formamide
5845	408	0	0	False	4-{5-[(z)-(2-imino-4-oxo-1_3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic_acid
5987	408	0	0	False	4-({5-[(4-aminocyclohexyl)amino][1_2_4]triazolo[1_5-a]pyrimidin-7-yl}amino)benzenesulfonamide
6199	408	0	0	False	2-oxoheptylphosphonic_acid
6215	408	0	0	False	n-(2-oxotetrahydrofuran-3-yl)octanamide
6249	408	0	0	False	n-[(2'_4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine
6499	408	0	0	False	4-methyl-5-[(2z)-2-{[4-(4-morpholinyl)phenyl]imino}-2_5-dihydro-4-pyrimidinyl]-1_3-thiazol-2-amine
6576	408	0	0	False	3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic_acid
6587	408	0	0	False	(2-amino-1_3-oxazol-5-yl)-(3-bromophenyl)methanone
6920	408	0	0	False	6_11-dihydro-11-ethyl-6-methyl-9-nitro-5h-pyrido[2_3-b][1_5]benzodiazepin-5-one
6933	408	0	0	False	(4-ethylphenyl)sulfamic_acid
7016	408	0	0	False	zofenoprilat
7096	408	0	17	True	rilpivirine
7164	408	0	0	False	indalpine
8135	408	0	0	True	lemborexant
8450	408	2	0	True	rucaparib
9145	408	0	0	False	arginine_glutamate
9252	408	0	0	False	euflavine
9400	408	0	0	False	bencyclane
9637	408	0	0	False	tidiacic_arginine
9647	408	3	0	False	meclofenoxate
9854	408	0	0	True	acetyl_sulfisoxazole
10119	408	0	0	False	perphenazine_enanthate
10124	408	0	0	True	chlorphenesin_carbamate
10143	408	0	0	False	temsavir
10193	408	0	0	False	lanraplenib
10240	408	0	0	False	pf-05089771
10603	408	0	0	False	trilaciclib
10631	408	0	0	False	rocaglamide
10962	408	0	0	False	4_4'-methanol-bisbenzonitrile
11071	408	0	0	False	l-arginine
11563	408	0	0	False	2-hydroxydesmethyl_clomipramine
11791	408	0	0	False	pioglitazone_metabolite_m-iii
11900	408	0	0	False	cgp62221
11901	408	0	0	False	cgp52421
12074	408	0	0	False	p-hydroxybropirimine
12087	408	0	0	False	8-oh-clomipramine
12208	408	0	0	False	2-hydroxytacrine
12410	408	0	0	False	dm-6706
12532	408	0	0	False	n-hydroxymethyl-aripiprazole
12870	408	0	0	False	hydroxynorfentanyl
12943	408	0	0	False	m15_(ketoconazole)
99	409	6	61	True	dofetilide
852	409	3	51	True	cyclopentolate
1024	409	0	0	True	trimetrexate
1288	409	0	0	False	dimethyltryptamine
1570	409	1	0	False	quinolinic_acid
2062	409	0	0	False	1-hydroxyamine-2-isobutylmalonic_acid
2427	409	0	0	False	alpha-d-glucopyranosyl-2-carboxylic_acid_amide
2666	409	0	0	False	pnu177836
2925	409	0	0	False	rwj-51084
2975	409	0	0	False	n(g)-iminoethylornithine
2981	409	0	0	False	3-(3_5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic_acid_[4-(thiazol-2-ylsulfamoyl)-phenyl]-amide
3308	409	0	0	False	4-fluorophenethyl_alcohol
3754	409	0	0	False	cis-[4_5-bis-(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4_5-dihyd_roimidazol-1-yl]-piperazin-1-yl-methanone
4100	409	0	0	False	(3s_8ar)-3-(4-hydroxybenzyl)hexahydropyrrolo[1_2-a]pyrazine-1_4-dione
4234	409	0	0	False	2-keto-6-phosphate-d-gluconic_acid__alpha-furanose_form
4428	409	1	0	False	merimepodib
4730	409	0	0	False	varlitinib
4823	409	0	0	False	ocaperidone
4847	409	4	9	False	tolperisone
4927	409	0	0	False	fk-960
5139	409	0	0	True	protokylol
5270	409	0	0	False	(3r)-3-ethyl-n-[(4-methylphenyl)sulfonyl]-l-aspartic_acid
5271	409	0	0	False	(2s)-2-hydroxy-2h-chromene-2-carboxylic_acid
5678	409	0	0	False	6-phenyl[5h]pyrrolo[2_3-b]pyrazine
5682	409	0	0	False	4-(methylsulfonyl)benzenecarboximidamide
5698	409	0	0	False	3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1h-indole-4_7-dione
6019	409	0	0	False	3-(4-nitro-phenoxy)-propan-1-ol
6261	409	0	0	False	2-({[3_5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)cyclopent-1-ene-1-carboxylic_acid
6265	409	0	0	False	(2e)-3-(3_4-dihydroxyphenyl)-2-iminopropanoic_acid
6304	409	0	0	False	5-bromo-n-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
6551	409	0	0	False	6_7_8_9-tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[b]pyran-2-one
6601	409	0	0	False	pantothenyl-aminoethanol-11-pivalic_acid
6679	409	0	0	False	4-nitro-benzylphosphonobutanoyl-glycine
6683	409	0	0	False	methyl-phosphonic_acid_mono-(4-nitro-phenyl)_ester
6795	409	0	0	False	3-methyl-n-(pyridin-4-ylmethyl)imidazo[1_2-a]pyrazin-8-amine
7108	409	0	150	True	teriflunomide
7196	409	0	0	True	ethoheptazine
7623	409	0	17	True	pantethine
7704	409	0	0	False	chlorophetanol
8024	409	0	0	False	asp-4058
8227	409	3	0	False	pardoprunox
8238	409	2	0	False	orantinib
8292	409	1	0	False	pf-03715455
8399	409	1	0	False	losmapimod
8557	409	1	0	False	semagacestat
8577	409	0	0	False	tetrahydrouridine
8684	409	1	0	False	st-101
8727	409	1	0	False	icaritin
8764	409	0	0	False	msx-122
8848	409	0	0	False	cebranopadol
9063	409	0	0	False	miridesap
9084	409	0	0	False	mephedrone
9085	409	0	0	False	pki-179
9374	409	0	0	False	ronifibrate
10367	409	0	0	False	nuc-1031
10436	409	0	0	False	birabresib
10750	409	0	0	False	thienodihydropyridinium
10796	409	0	0	False	flurbiprofen_glucuronide
10804	409	0	0	False	suprofen_s-oxide
10842	409	0	0	False	a771726
11322	409	0	0	False	6-thioxanthylic_acid
11449	409	0	0	False	n-desmethyl-para-hydroxy_rosiglitazone
11637	409	0	0	False	gemcitabine_monophosphate
11744	409	0	0	False	dehydroxyzileuton_sulfoxide
11769	409	0	0	False	lumiracoxib_metabolite_m25
11784	409	0	0	False	pioglitazone_metabolite_m-i
11839	409	0	0	False	n_n-dimethyltryptamine
11903	409	0	0	False	cgp_62221
11914	409	0	0	False	salicylic_acid
12050	409	0	0	False	19-hete
12387	409	0	0	False	m2_(piperaquine)
12521	409	0	0	False	2_6-dichlorophenol
12595	409	0	0	False	glasdegib_m1
12937	409	0	0	False	m8_(ketoconazole)
12967	409	0	0	False	nor-butyrfentanyl
13045	409	0	0	False	escitalopram_propionic_acid
13092	409	0	0	False	c-dealkyl-dronedarone
411	410	0	3	True	cinchocaine
630	410	4	24	True	prilocaine
780	410	26	128	True	ondansetron
846	410	12	55	True	ezetimibe
926	410	19	8	True	praziquantel
996	410	0	67	True	rabeprazole
1559	410	0	0	False	4-flourobenzenesulfonamide
1611	410	0	0	False	6_4'-dihydroxy-3-methyl-3'_5'-dibromoflavone
1691	410	2	0	False	5_7-dichlorokynurenic_acid
2116	410	0	0	False	tolrestat
2286	410	0	0	False	4-(dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide
2379	410	0	0	False	(1r_2s)-2-phenylcyclopropanaminium
2411	410	0	0	False	xv638
2525	410	0	0	False	4-(acetylamino)-3-[(aminoacetyl)amino]benzoic_acid
2610	410	0	0	False	zardaverine
2851	410	0	0	False	kb-141
3010	410	0	0	False	4-(acetylamino)-3-guanidinobenzoic_acid
3208	410	0	0	False	p-hydroxybenzaldehyde
4178	410	0	0	False	2'-deoxy-5-formylcytidine-5'-monophosphate
4461	410	0	0	False	pagoclone
4725	410	0	0	False	denibulin
4918	410	0	0	False	e5531
5219	410	0	0	False	1-[4-(hydroxymethyl)phenyl]guanidine
5573	410	0	0	False	(r)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
5837	410	0	0	False	4-{5-[(z)-(2_4-dioxo-1_3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzenesulfonamide
6282	410	0	0	False	n-[2-(methylamino)ethyl]-5-isoquinolinesulfonamide
6425	410	0	0	False	5-chloro-thiophene-2-carboxylic_acid_((3s_4s)-4-fluoro-_1-{[2-fluoro-4-(2-oxo-2h-pyridin-1-yl)-phenylcarbamoyl]-methyl}-pyrrolidin-3-yl)-amide
6450	410	0	0	False	7-amino-4-methyl-chromen-2-one
6850	410	0	0	False	1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]-1h-benzimidazol-5-yl_pivalate
6915	410	0	0	False	1_2_5_8-tetrahydroxyanthracene-9_10-dione
6929	410	0	0	False	(20s)-19_20_21_22-tetrahydro-19-oxo-5h-18_20-ethano-12_14-etheno-6_10-metheno-18h-benz[d]imidazo[4_3-k][1_6_9_12]oxatriaza-cyclooctadecosine-9-carbonitrile
6988	410	0	0	False	(3as_4r_9br)-4-(4-hydroxyphenyl)-1_2_3_3a_4_9b-hexahydrocyclopenta[c]chromen-9-ol
6998	410	0	0	False	(11r)-10-acetyl-11-(2_4-dichlorophenyl)-6-hydroxy-3_3-dimethyl-2_3_4_5_10_11-hexahydro-1h-dibenzo[b_e][1_4]diazepin-1-one
7394	410	0	0	False	rp-5063
7649	410	0	5	True	chromium_picolinate
7964	410	0	0	False	(r)-praziquantel
8087	410	0	0	False	efatutazone
8140	410	0	0	False	idalopirdine
8181	410	1	0	False	bms-906024
8191	410	2	0	False	ozagrel
8272	410	0	0	False	poziotinib
8408	410	0	0	False	defactinib
8507	410	0	0	False	remimazolam
8519	410	0	18	False	saccharin
8579	410	0	0	False	elobixibat
8724	410	0	0	False	4sc-203
8958	410	0	0	False	falnidamol
9036	410	0	0	False	oteseconazole
9105	410	0	0	False	agn-201904
9313	410	0	0	False	adrenalone
9440	410	0	0	False	gedocarnil
9544	410	0	0	False	ethacizine
9650	410	0	0	False	dexrabeprazole
9668	410	2	0	False	aluminium_clofibrate
9792	410	1	0	True	testosterone_undecanoate
9937	410	0	0	False	p-aminophenol
10318	410	0	0	False	relacorilant
10491	410	0	0	False	usl-311
10616	410	0	0	True	benzhydrocodone
10758	410	0	0	False	reduced_haloperidol
10856	410	0	0	False	eriodictyol
11202	410	0	0	False	laudanosine
11304	410	0	0	False	5-hydroxy__6-methoxy_duloxetine_sulfate
11853	410	0	0	False	desmethyl_netupitant
11856	410	0	0	False	gs-606965
11984	410	0	0	False	ataluren-o-1β-acyl_glucuronide
12038	410	0	0	False	4-aminophenol
12067	410	0	0	False	(2r)-5-{[2-(3_4-dimethoxyphenyl)ethyl]amino}-2-(3-methoxyphenyl)-2-(propan-2-yl)pentanenitrile
12431	410	0	0	False	morphine-3_6-diglucuronide
12520	410	0	0	False	2-(2_6-dichlorophenoxy)_propionic_acid
12754	410	0	0	False	3_4-dihydroxyphenylacetaldehyde_(dopal)
12921	410	0	0	False	nicotinuric_acid
12985	410	0	0	False	4-_aminophenol
227	411	36	89	True	atenolol
515	411	2	80	True	clofarabine
883	411	9	15	True	metyrapone
933	411	106	39	True	melatonin
1398	411	3	27	True	periciazine
1428	411	0	0	False	6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4_5-dihydropyridazin-3(2h)-one
1496	411	0	0	False	n-methyl-lysine
2192	411	0	0	False	methoxy_arachidonyl_fluorophosphonate
2197	411	0	0	False	d-glycero-d-mannopyranose-7-phosphate
2220	411	0	0	False	1-deoxy-d-xylulose_5-phosphate
2359	411	0	0	False	n-omega-propyl-l-arginine
2376	411	0	0	False	novo_nordisk_a-s_compound
2400	411	0	0	False	nu1025
2657	411	0	0	False	penicillin_g_acyl-serine
2745	411	0	0	False	n-[(2s_3s)-4-[2-[(5s)-3a_4_5_6_7_7a-hexahydro-1_3-benzodioxol-5-yl]ethyl-[3-(1_3-dioxoisoindol-2-yl)propanoyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3_5-dimethoxy-4-phenylmethoxybenzamide
2816	411	0	0	False	4-carboxyphenylboronic_acid
3108	411	0	0	False	2'-deoxyuridine_3'-monophosphate
3217	411	0	0	False	3-(5-amino-7-hydroxy-[1_2_3]triazolo[4_5-d]pyrimidin-2-yl)-n-(3_5-dichlorobenzyl)-benzamide
3251	411	0	0	False	diminazene
3269	411	0	0	False	iso24
3637	411	0	0	False	4-(2-{[4-{[3-(4-chlorophenyl)propyl]sulfanyl}-6-(1-piperazinyl)-1_3_5-triazin-2-yl]amino}ethyl)phenol
4080	411	0	0	False	r-styrene_oxide
4120	411	0	0	False	3'-azido-3'-deoxythymidine-5'-diphosphate
4337	411	0	0	False	o6-(r)-roscovitine__r-2-(6-benzyloxy-9-isopropyl-9h-purin-2-ylamino)-butan-1-ol
4662	411	0	0	False	4'-methylene-5_8_10-trideazaaminopterin
4744	411	0	0	False	prx-07034
4801	411	3	0	False	seliciclib
4834	411	1	0	False	cx516
4949	411	0	0	False	r-1487
5080	411	1	0	False	seratrodast
5269	411	0	0	False	4-chloro-n'-[(1e)-(3_5-dibromo-2_4-dihydroxyphenyl)methylidene]benzohydrazide
5291	411	0	0	False	7a-[(4-cyanophenyl)methyl]-6-(3_5-dichlorophenyl)-5-oxo-2_3_5_7a-tetrahydro-1h-pyrrolo[1_2-a]pyrrole-7-carbonitrile
5305	411	0	0	False	(r)-atenolol
5373	411	0	0	False	2-[2-(1h-tetrazol-5-yl)ethyl]-1h-isoindole-1_3(2h)-dione
5406	411	0	0	False	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide
5413	411	0	0	False	(s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
5519	411	0	0	False	6-cyclohexylmethoxy-2-(3'-chloroanilino)_purine
5763	411	0	0	False	n_n'-[biphenyl-4_4'-diyldi(2r)propane-2_1-diyl]dimethanesulfonamide
5907	411	0	0	False	2-({4-[(5-chloro-1h-indol-2-yl)sulfonyl]piperazin-1-yl}carbonyl)thieno[3_2-b]pyridine_4-oxide
5911	411	0	0	False	n_n-dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine
6078	411	0	0	False	1-((1r_2s)-1-{2-[2-(4-chlorophenyl)-1_3-benzoxazol-7-yl]ethyl}-2-hydroxypropyl)-1h-imidazole-4-carboxamide
6110	411	0	0	False	(2e)-3-(4-chlorophenyl)-n-hydroxyacrylamide
6344	411	0	0	False	4-[3-(4-chlorophenyl)-1h-pyrazol-5-yl]piperidine
6520	411	0	0	False	4-(6-cyclohexylmethoxy-9h-purin-2-ylamino)--benzamide
6561	411	0	0	False	(2r)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1_5-a][1_3_5]triazin-2-yl]amino}butan-1-ol
6968	411	0	0	False	[(2s)-4-methyl-3-oxo-2_3_4_5-tetrahydro-1h-1_4-benzodiazepin-2-yl]acetic_acid
6996	411	0	0	False	4-[[(1e)-2-(4-chlorophenyl)ethenyl]sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
7077	411	6	0	False	temocapril
7402	411	3	0	False	efonidipine
7845	411	0	3	True	thimerosal
8079	411	0	0	False	anlotinib
8145	411	0	0	True	dacomitinib
8208	411	0	0	False	2-octyl_cyanoacrylate
8278	411	0	0	False	figopitant
8480	411	0	0	False	oglemilast
8565	411	0	0	False	levodropropizine
8702	411	0	0	False	nelivaptan
8767	411	0	0	False	turofexorate_isopropyl
8914	411	0	0	False	nolatrexed
8969	411	0	0	True	pexidartinib
9360	411	0	0	False	esatenolol
9576	411	0	0	True	naftazone
9654	411	0	0	True	lidoflazine
9673	411	0	0	False	dropropizine
9700	411	1	0	False	talampicillin
10268	411	0	0	False	tavapadon
10312	411	0	0	False	alobresib
10328	411	0	0	False	difamilast
10357	411	0	0	False	florilglutamic_acid_f-18
10415	411	0	0	False	ziresovir
10798	411	0	0	False	2-hydroxyibuprofen
10897	411	0	0	False	irbesartan_derivative_m4
11390	411	0	0	False	fenoprofen_glucuronide
11398	411	0	0	False	hydromorphone-3-glucoside
11600	411	0	0	False	2-propylsuccinic_acid
12054	411	0	0	False	14_15-eet
12055	411	0	0	False	11_12-eet
12056	411	0	0	False	8_9-eet
12403	411	0	0	False	dm-6705
12466	411	0	0	False	4-hydroxy-anethorithion_(atx)
12550	411	0	0	False	empagliflozin-3-glucuronide
12662	411	0	0	False	m1_(ivafactor_metabolite_1)
12663	411	0	0	False	m1_(hydroxymethyl-ivacaftor)
12815	411	0	0	False	catechol_duloxetine
13188	411	0	0	False	levamlodipine_m4_metabolite
105	412	5	56	True	adapalene
443	412	18	307	True	bosentan
529	412	0	2	True	dyclonine
717	412	1	4	True	tolazamide
962	412	9	0	False	hesperetin
1558	412	6	1	True	pantothenic_acid
1761	412	0	0	False	5-(aminomethyl)-6-(2_4-dichlorophenyl)-2-(3_5-dimethoxyphenyl)pyrimidin-4-amine
1772	412	0	0	False	r048-8071
1845	412	0	0	False	cholesteryl_linoleate
1957	412	0	0	False	furoyl-leucine
1967	412	0	0	False	1_2-di-n-pentanoyl-sn-glycero-3-dithiophosphocholine
2234	412	0	0	False	'5'-o-(n-(l-prolyl)-sulfamoyl)adenosine
2261	412	0	0	False	n-[4-(2-methylimidazo[1_2-a]pyridin-3-yl)-2-pyrimidinyl]acetamide
2435	412	0	0	False	7-hydroxy-2-oxo-chromene-3-carboxylic_acid_ethyl_ester
2510	412	0	0	False	(2s_4r)-1-acetyl-n-[(2s)-1-(1_3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
3056	412	0	0	False	(3_4_5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-phosphoramidic_acid_dimethyl_ester
3352	412	0	0	False	n-ethyl-5'-carboxamido_adenosine
3721	412	0	0	False	2-nitro-p-cresol
3900	412	0	0	False	(1s_3r_4r_6s)-1_3_4_6-tetrapkisphosphate
3953	412	0	0	False	benzo[b]thiophene-2-boronic_acid
4023	412	0	0	False	nebularine
4028	412	0	0	False	benzo[b]thiophene-2-carboxamidine
4135	412	0	0	False	n-(chlorophenyl)-n'-hydroxyguanidine
4176	412	0	0	False	4-[(4-o-sulfamoylbenzyl)(4-cyanophenyl)amino]-4h-[1_2_4]-triazole
4373	412	0	0	False	(5-bromo-4-chloro-3-indolyl)-a-d-mannose
4499	412	3	0	False	talampanel
4632	412	0	0	False	amd-070
5393	412	0	0	False	3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)-1h-indazole-6-carbonitrile
5466	412	0	0	False	(6s)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1_2-a]pyrazin-4(6h)-one
5683	412	0	0	False	n-(3-chlorophenyl)-n-methyl-2-oxo-3-[(3_4_5-trimethyl-1h-pyrrol-2-yl)methyl]-2h-indole-5-sulfonamide
5740	412	0	0	False	(10r)-10-methyl-3-(6-methylpyridin-3-yl)-9_10_11_12-tetrahydro-8h-[1_4]diazepino[5'_6':4_5]thieno[3_2-f]quinolin-8-one
6060	412	0	0	False	(2z_3e)-2_3'-biindole-2'_3(1h_1'h)-dione_3-{o-[(3r)-3_4-dihydroxybutyl]oxime}
6295	412	0	0	False	(methylpyridazine_piperidine_ethyloxyphenyl)ethylacetate
6328	412	0	0	False	4-{4-[4-(3-aminopropoxy)phenyl]-1h-pyrazol-5-yl}-6-chlorobenzene-1_3-diol
6444	412	16	0	False	fasudil
6682	412	0	0	False	6-{4-[hydroxy-(4-nitro-phenoxy)-phosphoryl]-butyrylamino}-hexanoic_acid
6738	412	0	0	False	5_6-dichloro-1-beta-d-ribofuranosyl-1h-benzimidazole
6802	412	0	0	False	2-[4-(2h-1_4-benzothiazine-3-yl)-piperazine-1-ly]-1_3-thiazole-4-carboxylic_acid_ethylester
7031	412	0	0	False	4-(2-aminoethyl)benzenesulfonamide
7042	412	0	0	False	ethyl_biscoumacetate
7337	412	2	0	False	etizolam
7414	412	0	0	False	iproclozide
7854	412	0	0	True	lifitegrast
7949	412	0	0	True	lasmiditan
8401	412	0	0	False	vidupiprant
8798	412	0	0	False	timcodar
8928	412	1	0	False	fenobam
9018	412	0	0	False	enecadin
9597	412	0	0	False	gepefrine
9789	412	0	0	False	piperaquine
9860	412	1	0	False	hopantenic_acid
10098	412	0	0	False	tyramine_o-sulfate
10245	412	0	0	False	amcasertib
10271	412	0	0	False	rovafovir_etalafenamide
10372	412	0	0	False	pf-06291874
10683	412	0	0	False	valeryl-4-hydroxyvalsartan
10729	412	0	0	False	hydroxyterbinafine
11446	412	0	0	False	n-desmethyl_vandetanib
11552	412	0	0	False	irbesartan_derivative_m2
11733	412	0	0	False	montelukast_metabolite_m2a
11734	412	0	0	False	montelukast_metabolite_m2b
12057	412	0	0	False	5_6-eet
12083	412	0	0	False	1-cinnamylpiperazine
12100	412	0	0	False	o-demethyldiltiazem
12158	412	0	0	False	montelukast_sulfoxide
12609	412	0	0	False	torasemide_m4
12611	412	0	0	False	torasemide_m3
12615	412	0	0	False	rs-88390_(cvt-2514)
462	413	21	0	True	carbenicillin
562	413	31	46	True	thioridazine
596	413	33	441	True	paroxetine
808	413	2	3	True	mesoridazine
813	413	9	115	True	salmeterol
974	413	5	5	True	levocabastine
1141	413	0	0	False	glisoxepide
1151	413	1	38	True	fosamprenavir
1310	413	0	0	False	benzoylecgonine
1475	413	0	0	False	indole_naphthyridinone
1486	413	0	0	False	2_4-dihydroxy-trans_cinnamic_acid
2092	413	0	0	False	9-butyl-8-(2_5-dimethoxy-benzyl)-9h-purin-6-ylamine
2189	413	0	0	False	thiocoumarin
2219	413	0	0	False	9-(4-hydroxybutyl)-n2-phenylguanine
2247	413	0	0	False	2-aminooxyethyl-[[(2r_3s_4r_5r)-5-(6-aminopurin-9-yl)-3_4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium
2257	413	0	0	False	2-allylphenol
2413	413	0	0	False	(2r_3r_4r_5r)-3_4-dihydroxy-n_n'-bis[(1s_2r)-2-hydroxy-2_3-dihydro-1h-inden-1-yl]-2_5-bis(2-phenylethyl)hexanediamide
2833	413	0	0	False	d-myo-inositol-1_4-bisphosphate
3023	413	0	0	False	5'-o-(l-threonylsulfamoyl)adenosine
3239	413	0	0	False	cra_9785
3881	413	0	0	False	((2r_3s_5r)-3-hydroxy-5-(4-hydroxy-2-oxo-3_4-dihydropyrimidin-1(2h)-yl)-tetrahydrofuran-2-yl)methyldihydrogen_phosphate
4124	413	0	0	False	3-deaza-adenosine
4128	413	0	0	False	beta-d-fructofuranose_1_6-bisphosphate
4331	413	0	0	False	1-n-(4-sulfamoylphenyl-ethyl)-2_4_6-trimethylpyridinium
4399	413	4	0	True	zimelidine
4570	413	0	0	False	ca4p
4749	413	0	0	False	filanesib
4790	413	1	0	False	glufosfamide
5504	413	0	0	False	6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2h)-one
5676	413	0	0	False	1-(5-{2-[(1-methyl-1h-pyrazolo[4_3-d]pyrimidin-7-yl)amino]ethyl}-1_3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
5708	413	0	0	False	1-{2-[3-(2-chloro-4_5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic_acid
5809	413	0	0	False	4-bromo-6-(6-hydroxy-1_2-benzisoxazol-3-yl)benzene-1_3-diol
5839	413	0	0	False	4-{5-[(z)-(2-imino-4-oxo-1_3-thiazolidin-5-ylidene)methyl]-2-furyl}-n-methylbenzenesulfonamide
5856	413	0	0	False	2-(6-chloro-3-{[2_2-difluoro-2-(1-oxido-2-pyridinyl)ethyl]amino}-2-oxo-1(2h)-pyrazinyl)-n-[(2-fluorophenyl)methyl]acetamide
5929	413	0	0	False	(2s)-4-methyl-2-(3-phenylthioureido)-n-((3s)-tetrahydro-2-hydroxy-3-furanyl)pentanamide
6136	413	0	0	False	6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-(4-morpholinyl)-2-oxo_ethyl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide
6345	413	0	0	False	3-(4-chlorophenyl)-5-(methylthio)-4h-1_2_4-triazole
6554	413	0	0	False	1-(2-cyclopropylethyl)-3-(1_1-dioxo-2h-1_2_4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxy-2(1h)-quinolinone
6636	413	0	0	False	1-{[(1e)-(3-hydroxy-2-methyl-5-{[(trihydroxy-lambda^5^-phosphanyl)oxy]methyl}pyridin-4-yl)methylidene]amino}undecan-2-one
6639	413	0	0	False	(r)-2-(formyloxy)-3-(phosphonooxy)propyl_pentanoate
6729	413	0	0	False	(2r)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9h-purin-2-yl}amino)butan-1-ol
6762	413	0	0	False	n-[3-(2-fluoroethoxy)phenyl]-n'-(1_3_4-trioxo-1_2_3_4-tetrahydroisoquinolin-6-yl)butanediamide
6815	413	0	0	False	(1e)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1h-pyrazol-4-yl)-2_3-dihydro-1h-inden-1-one_oxime
7132	413	1	36	True	dabrafenib
7368	413	0	0	False	lobeglitazone
7665	413	0	0	True	brilliant_green_cation
7733	413	2	0	True	febantel
7805	413	0	0	True	etymemazine
7881	413	0	0	False	ht-0712
8094	413	0	0	False	gw842166
8268	413	4	0	False	m-chlorophenylpiperazine
8363	413	2	0	False	terameprocol
8504	413	5	9	True	bromperidol
8666	413	0	0	False	combretastatin
8716	413	6	46	False	urapidil
8810	413	0	0	False	somatoprim
8976	413	0	0	False	quisinostat
9188	413	2	0	False	octopamine
9212	413	0	0	True	bucetin
9362	413	0	0	False	nepinalone
9970	413	0	0	True	thiohexam
9972	413	0	0	True	morpholinylmercaptobenzothiazole
10463	413	0	0	False	lisavanbulin
10623	413	0	0	True	resorcinol_monoacetate
10744	413	0	0	False	n-desmethylritonavir
10749	413	0	0	False	2-oxoticlopidine
10787	413	0	0	False	dehydroxyzyleuton
10799	413	0	0	False	3-hydroxyibuprofen
10898	413	0	0	False	5'-hydroxypiroxicam
10931	413	0	0	False	m-chlorophenylpiperazine_(m-cpp)
11210	413	0	0	False	benzoylecgonine
11589	413	0	0	False	4-hydroxy-5-phenyltetrahydro-1_3-oxazin-2-one
11687	413	0	0	False	flunarizine_metabolite_m2
11727	413	0	0	False	methoxyzolpidem_derivative_(m3)
12173	413	0	0	False	perphenazine_sulfoxide
12293	413	0	0	False	thioridazine_2-sulfoxide
12295	413	0	0	False	thioridazine_5-sulfoxide
12325	413	0	0	False	1-(3-chlorophenyl)_piperazine
12342	413	0	0	False	m8_(blonanserin)
12626	413	0	0	False	cvt-3388
12749	413	0	0	False	3-methoxytyramine
12750	413	0	0	False	3-methoxy-4-hydroxyacetaldehyde
13095	413	0	0	False	n_n'-didebutyl-dronedarone
303	414	1	1	True	acetohexamide
304	414	28	135	True	ampicillin
578	414	43	174	True	furosemide
624	414	28	11	True	zileuton
657	414	0	23	True	propiomazine
674	414	14	0	True	candesartan_cilexetil
815	414	0	0	True	methantheline
1035	414	16	53	True	procarbazine
1304	414	2	0	False	1-phenylcyclohexylamine
1674	414	0	0	False	sinefungin
1704	414	0	0	False	4-carbamoyl-1-beta-d-ribofuranosyl-imidazolium-5-olate-5'-phosphate
2250	414	0	0	False	cra_10655
2326	414	0	0	False	n-[(1r_2r)-1_3-dihydroxy-1-(4-nitrophenyl)-2-propanyl]acetamide
2740	414	0	0	False	2-aminobenzyl_alcohol
2771	414	0	0	False	4-amido-4-carbamoyl-butyric_acid
3085	414	0	0	False	s-adenosyl-l-homoselenocysteine
3118	414	2	0	False	sparfosic_acid
3362	414	0	0	False	2-amino-1h-benzimidazol-5-ol
3473	414	0	0	False	gamma-carboxy-glutamic_acid
3896	414	0	0	False	5-oxo-l-norleucine
3918	414	0	0	False	n-hexylphosphonate_ethyl_ester
3977	414	0	0	False	3-deazacytidine
4051	414	0	0	False	1-(4-methoxyphenyl)-3_5-dimethyl-1h-pyrazole-4-carboxylic_acid_ethyl_ester
4226	414	3	0	False	metoprine
4291	414	0	0	False	2-[3-chloro-6-[2_2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]imino-1-hydroxypyridin-2-yl]-n-[(1r)-1-(3-chlorophenyl)ethyl]acetamide
4482	414	0	23	True	iloperidone
4492	414	0	0	False	lucanthone
4545	414	0	0	False	e-2012
4560	414	0	0	False	fenoxaprop-ethyl
4865	414	0	0	False	glesatinib
5025	414	0	0	False	odanacatib
5434	414	0	0	False	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methyl-1h-indole
5444	414	0	0	False	o6-cyclohexylmethoxy-2-(4'-sulphamoylanilino)_purine
5606	414	0	0	False	5-amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile
5635	414	0	0	False	4-(6-{[(4-methylcyclohexyl)amino]methyl}-1_4-dihydroindeno[1_2-c]pyrazol-3-yl)benzoic_acid
5728	414	0	0	False	bis(4-nitrophenyl)_hydrogen_phosphate
5787	414	0	0	False	4-phosphonooxy-phenyl-methyl-[4-phosphonooxy]benzen
6088	414	0	0	False	(3asr_4rs_8asr_8brs)-4-(2-(4-fluorobenzyl)-1_3-dioxodeacahydropyrrolo[3_4-a]_pyrrolizin-4-yl)benzamidine
6134	414	0	0	False	2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7h-pyrrolo[2_3-d]pyrimidin-4-yl]amino}benzamide
6148	414	0	0	False	4-(4-chlorophenyl)-4-[4-(1h-pyrazol-4-yl)phenyl]piperidine
6177	414	0	0	False	(2s)-1-(dimethylamino)-3-(4-{[4-(2-methylimidazo[1_2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol
6293	414	0	0	False	(3z)-1-[(6-fluoro-4h-1_3-benzodioxin-8-yl)methyl]-4-[(e)-2-phenylethenyl]-1h-indole-2_3-dione_3-oxime
6697	414	0	0	False	para-nitrophenyl_1-thio-beta-d-glucopyranoside
6818	414	0	0	False	5'-acetyl-4-{[(2_4-dimethylphenyl)sulfonyl]amino}-2_2'-bithiophene-5-carboxylic_acid
6952	414	0	0	False	1-tert-butyl-3-(3-methylbenzyl)-1h-pyrazolo[3_4-d]pyrimidin-4-amine
7270	414	1	0	True	idebenone
7278	414	1	18	True	trimebutine
7351	414	0	0	False	trefentanil
7525	414	0	0	True	indium_in-111_oxyquinoline
7822	414	2	0	True	tricaine
7925	414	0	0	False	setmelanotide
8000	414	0	0	True	niraparib
8159	414	1	0	True	elagolix
8239	414	1	0	False	albaconazole
8334	414	0	0	False	obatoclax
8501	414	0	0	False	naproxen_etemesil
8667	414	0	0	False	abl-001
8861	414	0	0	False	pf-04217903
8918	414	0	0	False	pinometostat
9015	414	0	0	False	mk-0873
9629	414	0	0	False	camylofin
10131	414	0	0	False	ribavirin_monophosphate
10351	414	0	0	False	pri-724
11263	414	0	0	False	3-o-methyl-a-methyldopamine
11435	414	0	0	False	n-acetyl_zonisamide
11498	414	0	0	False	phenytoin_quinone
11718	414	0	0	False	donepezil_metabolite_m10
11748	414	0	0	False	o-desmethylnaproxen_sulfate
11971	414	0	0	False	m2
12092	414	0	0	False	o-demethyl_curcumin
12207	414	0	0	False	4-_hydroxytacrine
12223	414	0	0	False	4'-oh-triamterene
12328	414	0	0	False	des-4-chlorobenzoyl-indomethacin
12339	414	0	0	False	m5_(blonanserin)
12586	414	0	0	False	pf-05199265
13143	414	0	0	False	acalabrutinib_m37_metabolite
446	415	0	0	True	benzthiazide
692	415	12	54	True	meloxicam
727	415	15	60	True	perphenazine
734	415	8	226	True	terbinafine
911	415	85	286	True	thalidomide
946	415	0	1	True	deslanoside
1278	415	0	0	False	desmethylprodine
1410	415	0	1	True	pipotiazine
1413	415	0	63	True	zuclopenthixol
1510	415	0	0	False	(1s_3s_4s)-1_3_4-triphospho-myo-inositol
1641	415	0	0	False	2-deoxy-2-acetamido-beta-d-galactose-4-sulfate
1792	415	0	0	False	2-(3_4-dihydro-3-oxo-2h-benzo[b][1_4]thiazin-2-yl)-n-hydroxyacetamide
2467	415	0	0	False	5-mercapto-2-nitro-benzoic_acid
2592	415	0	0	False	n-carboxymethionine
2648	415	0	4	True	oxitriptan
2742	415	0	0	False	sri-9662
3064	415	0	0	False	1d-myo-inositol_1_4_5-trisphosphate
3550	415	0	0	False	carboxymethylthio-3-(3-chlorophenyl)-1_2_4-oxadiazol
3576	415	0	0	False	inositol_2_4_5-trisphosphate
3713	415	0	0	False	2-amino-adenosine
3743	415	0	0	False	s-hexylglutathione
4158	415	0	0	False	imazaquin
4162	415	0	0	False	o-bromophenol
4284	415	0	0	False	imidazopyridazin_1
4426	415	0	0	False	isatoribine
4481	415	1	0	False	acadesine
4653	415	0	0	False	motesanib
5251	415	0	0	False	10_11-dimethoxy-4-methyldibenzo[c_f]-2_7-naphthyridine-3_6-diamine
5280	415	0	0	False	5-(5-chloro-2_4-dihydroxyphenyl)-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
5443	415	0	0	False	4-(6-{[(1r)-1-(hydroxymethyl)propyl]amino}imidazo[1_2-b]pyridazin-3-yl)benzoic_acid
6082	415	0	0	False	n-(2-methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)benzenesulfonamide
6220	415	0	0	False	erteberel
6267	415	0	0	False	2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1h-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol
6277	415	0	0	False	3-sulfooxy-1h-indole
6664	415	0	0	False	para-nitrophenylphosphonobutanoyl-glycine
6761	415	0	0	False	(1s)-1-(3-chlorophenyl)-2-oxo-2-[(1_3_4-trioxo-1_2_3_4-tetrahydroisoquinolin-5-yl)amino]ethyl_acetate
7224	415	0	42	False	brotizolam
7287	415	0	3	True	somatostatin
7365	415	0	0	True	lorpiprazole
7907	415	0	0	False	fruquintinib
8072	415	0	0	False	basmisanil
8381	415	1	0	True	triclabendazole
8390	415	0	0	False	cg-200745
8454	415	1	0	False	carisbamate
8460	415	0	0	False	cg-400549
8720	415	4	0	False	isoquercetin
9205	415	0	0	True	dibekacin
9232	415	0	0	True	chlorquinaldol
9346	415	0	0	False	iobenzamic_acid
9410	415	0	0	False	otilonium
9727	415	0	0	False	clopenthixol
9878	415	1	0	False	lomerizine
10307	415	0	0	False	mk-3577
10373	415	0	0	False	agerafenib
10518	415	0	0	False	ridinilazole
10890	415	0	0	False	n-desmethylrosiglitazone
11146	415	0	0	False	1-salicylate_glucuronide
11321	415	0	0	False	6-thioinosinic_acid
11650	415	0	0	False	6-mercaptopurine_riboside
11712	415	0	0	False	donepezil_metabolite_m5
11713	415	0	0	False	donepezil_metabolite_m6
11767	415	0	0	False	4'-hydroxylumiracoxib_(m23)
11960	415	0	0	False	2-dimethylamino-2-phenylbutan-1-ol
11987	415	0	0	False	prt062802
12051	415	0	0	False	18-hete
12131	415	0	0	False	6-oh-harmaline
12405	415	0	0	False	(s)-dm-6718
12443	415	0	0	False	p-cresol_sulfate
12817	415	0	0	False	deacetyl-n-monodesmethyldiltiazem
13098	415	0	0	False	propanoic_acid-dronedarone
20	416	0	13	True	l-lysine
109	416	10	119	True	torasemide
453	416	5	170	True	fondaparinux
698	416	8	110	True	tadalafil
777	416	1	0	False	bitolterol
804	416	15	139	True	azacitidine
991	416	6	17	True	tolbutamide
1117	416	0	2	True	gliquidone
1432	416	0	0	False	3_6-dihydroxy-xanthene-9-propionic_acid
1521	416	0	0	False	cra_17693
1597	416	0	0	False	(3s)-tetrahydro-3-furanyl_{(2s_3s)-4-[(2s_4r)-4-{(1s_2r)-2-[(s)-amino(hydroxy)methoxy]-2_3-dihydro-1h-inden-1-yl}-2-benzyl-3-oxo-2-pyrrolidinyl]-3-hydroxy-1-phenyl-2-butanyl}carbamate
1634	416	0	0	False	inositol_1_3_4_5-tetrakisphosphate
1649	416	11	0	False	3_4-dihydroxycinnamic_acid
1766	416	0	0	False	l-756423
1910	416	0	0	False	hydroxy-phenyl-acetic_acid_8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl_ester
2020	416	0	0	False	5'-deoxy-5'-methylthioadenosine
2146	416	0	0	False	2-ribofuranosyl-3-iodo-2_3-dihydro-1h-pyrazolo[3_4-d]pyrimidin-4-ylamine
2173	416	0	0	False	glutamine_hydroxamate
2328	416	0	0	False	n-(2_3_4_5_6-pentaflouro-benzyl)-4-sulfamoyl-benzamide
2569	416	0	0	False	cra_1802
2649	416	0	0	False	1-carboxyethylaminomethyl-4-aminomethylbenzene
2663	416	0	0	False	4-(4-chlorophenyl)imidazole
2695	416	0	0	False	9r_13r-opda
2926	416	0	0	False	d-lysine
3175	416	0	0	False	aspartic_acid-4-carboxymethyl_ester
3330	416	0	0	False	piritrexim
3375	416	0	0	False	compound_4-d
3521	416	0	0	False	3-chloro-4-hydroxyphenylglycine
4245	416	0	0	False	dansyllysine
4316	416	0	0	False	oximinoarylsulfonamide
4551	416	0	0	True	crisaborole
4694	416	0	0	False	oglufanide
4760	416	0	0	False	apatorsen
4778	416	2	14	True	pizotifen
5046	416	0	46	True	fesoterodine
5179	416	0	0	False	n-cyclooctylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
5409	416	0	0	False	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide
5531	416	0	0	False	(11s)-8-chloro-11-[1-(methylsulfonyl)piperidin-4-yl]-6-piperazin-1-yl-11h-benzo[5_6]cyclohepta[1_2-b]pyridine
5652	416	0	0	False	4-[4-amino-6-(5-chloro-1h-indol-4-ylmethyl)-[1_3_5]triazin-2-ylamino]-benzonitrile
5832	416	0	0	False	n-[4-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)butyl]-3-sulfanylpropanamide
6143	416	0	0	False	n-methyl-1-[4-(9h-purin-6-yl)phenyl]methanamine
6145	416	0	0	False	6-{4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl}-9h-purine
6208	416	0	0	False	2-[(4-fluorophenyl)sulfonylamino]-n-oxo-ethanamide
6280	416	0	0	False	n-[2-(4-bromocinnamylamino)ethyl]-5-isoquinoline_sulfonamide
6351	416	0	0	False	n-[4-chloro-3-(pyridin-3-yloxymethyl)-phenyl]-3-fluoro-
6353	416	0	0	False	2-[4-(3-methyl-1h-pyrazol-4-yl)phenyl]ethanamine
6370	416	0	0	False	4-[(7r_7as)-7-hydroxy-1_3-dioxotetrahydro-1h-pyrrolo[1_2-c]imidazol-2(3h)-yl]-1-naphthonitrile
6498	416	0	0	False	hydroxy(oxo)(3-{[(2z)-4-[3-(1h-1_2_4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5h)-ylidene]amino}phenyl)ammonium
6586	416	0	0	False	nocodazole
6591	416	0	0	False	6-(2-phenoxyethoxy)-1_3_5-triazine-2_4-diamine
6852	416	0	0	False	1_2_5-thiadiazolidin-3-one-1_1-dioxide
7038	416	0	0	False	2-amino-4-(2_4-dichlorophenyl)-n-ethylthieno[2_3-d]pyrimidine-6-carboxamide
7099	416	10	306	True	fingolimod
7438	416	1	0	False	fimasartan
7616	416	4	4	True	homatropine
7659	416	0	0	True	diethylamino_hydroxybenzoyl_hexyl_benzoate
8316	416	0	0	False	mk-0557
8637	416	0	0	False	wnt-974
8742	416	0	0	False	ly-2584702
8745	416	7	0	False	ritanserin
8886	416	0	0	False	av-101
8988	416	0	0	False	mk-6186
9195	416	0	0	True	etofamide
9459	416	0	0	False	moperone
9572	416	0	0	False	mosapramine
9726	416	0	0	False	hydroxyethylpromethazine
9985	416	0	0	False	telotristat
10338	416	0	0	False	avacopan
10374	416	0	0	False	omidenepag_isopropyl
10379	416	0	0	False	elx-02
10548	416	0	0	False	pl-3994
10555	416	0	0	False	lsz-102
10598	416	0	0	False	bms-986158
10782	416	0	0	False	bosentan_metabolite_ro_47-8634
11358	416	0	0	False	chlorpromazine-n-oxide
11396	416	0	0	False	hydralazine_acetone_hydrazone
11418	416	0	0	False	lamivudine-triphosphate
11507	416	0	0	False	sulindac_sulfide
11546	416	0	0	False	nitroso-sulfamethoxazole
11699	416	0	0	False	clopidogrel_carboxylic_acid_derivative
12122	416	0	0	False	fluphenazine_sulfoxide
12605	416	0	0	False	p-hydroxyphentermine
12664	416	0	0	False	m6_(ivacaftor-carboxylate)
13079	416	0	0	False	3-hydroxy-methyltriazolophthalazine
13103	416	0	0	False	m-hydroxymandelic_acid
412	417	2	54	True	lercanidipine
489	417	43	21	True	sulindac
672	417	13	46	True	primidone
935	417	3	27	True	glipizide
963	417	21	118	True	fluvastatin
1405	417	0	0	False	aceprometazine
1473	417	0	0	False	inhibitor_idd_384
1569	417	0	0	False	phenyl_boronic_acid
1717	417	0	0	False	5-[4-tert-butylphenylsulfanyl]-2_4-quinazolinediamine
1785	417	0	0	False	n-cyclohexyl-n'-(4-iodophenyl)urea
2238	417	0	0	False	(2z)-3-{[oxido(oxo)phosphoranyl]oxy}-2-phenylacrylate
2267	417	0	0	False	fexaramine
2457	417	0	0	False	selenoinosine
3821	417	143	0	False	quercetin
3995	417	0	0	False	4-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol
4112	417	0	0	False	indole
4211	417	0	0	False	naphthalene-2_6-disulfonic_acid
4558	417	4	40	True	silver_sulfadiazine
4913	417	2	0	True	cangrelor
5427	417	0	0	False	(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic_acid
6203	417	0	0	False	3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyri_acid
6257	417	0	0	False	5-amino-2-{4-[(4-aminophenyl)sulfanyl]phenyl}-1h-isoindole-1_3(2h)-dione
6330	417	0	0	False	4-[1-allyl-7-(trifluoromethyl)-1h-indazol-3-yl]benzene-1_3-diol
6352	417	0	0	False	4-amino-5-(2-methylphenyl)-2_4-dihydro-3h-1_2_4-triazole-3-thione
6669	417	19	0	False	piceatannol
6699	417	0	0	False	thymidine-5'-thiophosphate
6781	417	0	0	False	n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3_4_5-trimethoxyphenyl)pyrimidine-2_4-diamine
6789	417	0	0	False	1-[4-(aminosulfonyl)phenyl]-1_6-dihydropyrazolo[3_4-e]indazole-3-carboxamide
6821	417	0	0	False	n-[(2s_4s_6r)-2-(dihydroxymethyl)-4-hydroxy-3_3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylacetamide
6928	417	0	0	False	4-[(5-isopropyl-1_3-thiazol-2-yl)amino]benzenesulfonamide
6930	417	0	0	False	(5z)-7-{(1r_4s_5r_6r)-6-[(1e)-1-octen-1-yl]-2_3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic_acid
7032	417	0	0	False	(4-{(2s)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic_acid
7044	417	0	0	False	pipazethate
7191	417	0	0	False	etofibrate
7209	417	0	0	False	barbexaclone
7397	417	0	0	False	azelnidipine
7416	417	0	0	False	octamoxin
7856	417	0	0	True	rupatadine
7900	417	136	5	True	curcumin
8086	417	1	0	False	avagacestat
8341	417	0	0	False	fosdagrocorat
8414	417	0	0	False	piromelatine
8427	417	0	0	False	motolimod
8520	417	0	0	False	hsd-016
8634	417	0	0	False	fk-614
8689	417	0	0	False	gsk-1292263
8917	417	0	0	False	t-62
8925	417	0	0	False	get-73
9035	417	0	0	False	act-451840
9115	417	0	0	True	parachlorophenol
9171	417	0	0	False	alaproclate
9239	417	1	0	False	melevodopa
10159	417	0	0	False	tosylchloramide
10432	417	0	0	False	fosmanogepix
10765	417	0	0	False	8-hydroxycarbazolylcarvedilol
10864	417	0	0	False	mirtazapine-n-oxide
11477	417	0	0	False	olopatadine_n-oxide
11586	417	0	0	False	2-hydroxyfelbamate
11607	417	0	0	False	4-phthalimidoglutaramic_acid
11668	417	0	0	False	n-desmethylhydroxyterbinafine
11714	417	0	0	False	donepezil_metabolite_m7
11729	417	0	0	False	methoxyzolpidem_derivative_(m11)
12016	417	0	0	False	8-oh-carvedilol
12256	417	0	0	False	3-trans-hydroxycyclohexyl_glyburide
12257	417	0	0	False	3-cis-hydroxycyclohexyl_glyburide
12765	417	0	0	False	dehydro-aripiprazole_unnamed_epoxide_metabolite
72	418	33	161	True	valsartan
100	418	10	57	True	pyrimethamine
127	418	2	15	True	aminosalicylic_acid
295	418	0	41	True	dexbrompheniramine
336	418	5	5	True	loracarbef
400	418	10	32	True	aminocaproic_acid
713	418	0	0	True	brompheniramine
816	418	0	0	True	hexafluronium
1270	418	0	0	False	α-methylthiofentanyl
1565	418	3	0	False	piclamilast
1775	418	0	0	False	acetyl_dithranol
1868	418	2	0	False	daidzin
2052	418	0	0	False	1-(5-carboxypentyl)-5-[(2_6-dichlorobenzyl)oxy]-1_h-indole-2-carboxylic_acid
2331	418	0	0	False	1(r)-1-acetamido-2-(3-carboxyphenyl)ethyl_boronic_acid
2870	418	0	0	False	4-nitrophenyl-ara
3002	418	0	0	False	(4-sulfamoyl-phenyl)-thiocarbamic_acid_o-(2-thiophen-3-yl-ethyl)_ester
3227	418	0	0	False	(2e_3s)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1_3-dihydro-2_3'-biindol-2'(1'h)-one
3305	418	0	0	False	zidovudine_monophosphate
3349	418	0	0	False	5'-fluoro-5'-deoxyadenosine
3893	418	0	0	False	7-(2-amino-2-phenyl-acetylamino)-3-chloro-8-oxo-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic_acid
3988	418	0	0	False	alpha-d-glucose-1-phosphate-6-vanadate
4025	418	0	0	False	imino[2-(2-oxo-1_2-dihydro-3-pyridinyl)-1h-benzimidazol-5-yl]methanaminium
4892	418	0	0	False	abafungin
4944	418	3	0	False	repinotan
5178	418	0	0	False	n-(4-carbamimidoyl-3-choro-phenyl)-2-hydroxy-3-iodo-5-methyl-benzamide
5205	418	0	0	False	3-[({(1e)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic_acid
5367	418	0	0	False	(2r)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
5398	418	0	0	False	n-(2_2_2-trifluoroethyl)-n-{4-[2_2_2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide
5576	418	0	0	False	thieno[3_2-b]pyridine-2-sulfonic_acid_[1-(1-amino-isoquinolin-7-ylmethyl)-2-oxo-pyrroldin-3-yl]-amide
5782	418	0	0	False	3-[5-(1h-imidazol-1-yl)-7-methyl-1h-benzimidazol-2-yl]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1h)-one
5871	418	0	0	False	(2r_3r_4s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chroman-6-ol
5923	418	0	0	False	(5-(pyridin-3-yl)furan-2-yl)methanamine
5985	418	0	0	False	4-{[5-(cyclohexylmethoxy)[1_2_4]triazolo[1_5-a]pyrimidin-7-yl]amino}benzenesulfonamide
5988	418	0	0	False	4-{[5-(cyclohexyloxy)[1_2_4]triazolo[1_5-a]pyrimidin-7-yl]amino}benzenesulfonamide
6367	418	0	0	False	idd594
6382	418	0	0	False	6-ethyl-5-[(2s)-1-(3-methoxypropyl)-2-phenyl-1_2_3_4-tetrahydroquinolin-7-yl]pyrimidine-2_4-diamine
6507	418	0	0	False	5_8-dimethoxy-1_4-dimethylquinolin-2(1h)-one
6745	418	0	0	False	4-methyl-n-[5-(5-methyl-furan-2-ylmethylene)-4-oxo-thiazolidin-2-ylidene]-benzenesulfonamide
6813	418	0	0	False	3-{(r)-(dihydroxyboryl)[(2-thienylacetyl)amino]methyl}benzoic_acid
7060	418	3	0	True	triflusal
7211	418	1	0	False	clocapramine
7236	418	0	0	True	suvorexant
7341	418	0	0	False	β-hydroxythiofentanyl
7406	418	0	0	False	niguldipine
7642	418	0	0	True	thonzylamine
7655	418	13	0	True	polydatin
7866	418	3	0	True	laropiprant
7869	418	0	0	True	isavuconazole
7940	418	0	0	False	uk-390957
7956	418	1	0	False	mk-1775
8430	418	1	0	False	foretinib
8766	418	0	0	False	mibampator
9042	418	0	0	False	me-344
9099	418	3	18	False	troxerutin
9741	418	3	0	False	nifuroxazide
9881	418	0	0	False	dexniguldipine
9896	418	0	0	True	butylparaben
10208	418	0	0	False	azd-3759
10392	418	0	0	False	surufatinib
10399	418	0	0	False	gsk-239512
10533	418	0	0	False	azd-1386
10545	418	0	0	False	ampreloxetine
10632	418	0	0	False	didesmethylrocaglamide
10886	418	0	0	False	4-hydroxy_tolbutamide
11409	418	0	0	False	hydroxyhexamide
11620	418	0	0	False	2-amino-3-methylbenzoate
11970	418	0	0	False	m1
12254	418	0	0	False	4-cis-hydroxycyclohexyl_glyburide
12255	418	0	0	False	4-trans-hydroxycyclohexyl_glyburide
12303	418	0	0	False	10-oh-zaltoprofen
12510	418	0	0	False	hydroquinone_sulfate
12734	418	0	0	False	dapagliflozin_bms-511926__m8_metabolite
12816	418	0	0	False	5-hydroxy__6-methoxy_duloxetine
12950	418	0	0	False	m5'_(ketoconazole)
133	419	0	3	True	oxiconazole
409	419	2	111	True	metolazone
451	419	8	355	True	cephalexin
460	419	0	2	True	sulfamethizole
954	419	2	39	True	benzocaine
978	419	0	2	True	colistimethate
1109	419	0	0	True	chloroxine
1998	419	0	0	False	4-oxosebacic_acid
2006	419	0	0	False	4-(acetylamino)-3-amino_benzoic_acid
2201	419	0	0	False	bmsc-0013
2344	419	0	0	False	4_4'-biphenyldiboronic_acid
2416	419	0	0	False	pentyl_trihydrogen_diphosphate
2651	419	0	0	False	benzimidazole
2659	419	0	0	False	2-propyl-aniline
2799	419	0	0	False	para-toluene_sulfonate
3283	419	0	0	False	n-[(2s)-4-methyl-1-oxo-1-{[(4s)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-2-pentanyl]-1-benzofuran-2-carboxamide
3593	419	0	0	False	mercuribenzoic_acid
3767	419	0	0	False	beta-hydroxytryptophane
3982	419	0	0	False	aeruginosin_98-b
4021	419	0	0	False	brivudine_monophosphate
4153	419	0	0	False	1-(1-phenylcyclopentyl)methylamine
4190	419	0	0	False	tacrine(8)-4-aminoquinoline
4260	419	0	0	False	2'-o-[1-ethyl-1h-imidazol)]_thymidine-5'-monophosphate
4398	419	1	0	False	tienilic_acid
5216	419	0	0	False	3-[3-chloro-5-(5-{[(1s)-1-phenylethyl]amino}isoxazolo[5_4-c]pyridin-3-yl)phenyl]propan-1-ol
5250	419	0	0	False	(1-hydroxynonane-1_1-diyl)bis(phosphonic_acid)
5449	419	0	0	False	(s)-n-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide
5559	419	0	0	False	5-{4-[(3_5-difluorobenzyl)amino]phenyl}-6-ethylpyrimidine-2_4-diamine
5655	419	0	0	False	n~6~-cyclohexyl-n~2~-(4-morpholin-4-ylphenyl)-9h-purine-2_6-diamine
5731	419	0	0	False	4-{[(1r_2s)-1_2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile
5801	419	0	0	False	(3-exo)-3-(10_11-dihydro-5h-dibenzo[a_d][7]annulen-5-yloxy)-8_8-dimethyl-8-azoniabicyclo[3.2.1]octane
5816	419	0	0	False	difluoro(5-{2-[(5-octyl-1h-pyrrol-2-yl-kappan)methylidene]-2h-pyrrol-5-yl-kappan}pentanoato)boron
5842	419	0	0	False	n-{(1s_2r)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide
5930	419	0	0	False	6-(2-fluorobenzyl)-2_4-dimethyl-4_6-dihydro-5h-thieno[2'_3':4_5]pyrrolo[2_3-d]pyridazin-5-one
6214	419	0	0	False	3-[(4-carboxy-2-hydroxyphenyl)sulfamoyl]-2-thiophenecarboxylic_acid
6354	419	0	0	False	(2s)-1-methyl-2-[(2s_4r)-2-methyl-4-phenylpentyl]piperidine
6873	419	0	0	False	3-[[(methylamino)sulfonyl]amino]-2-oxo-6-phenyl-n-[3_3_3-trifluoro-1-(1-methylethyl)-2-oxophenyl]-1(2h)-pyridine_acetamide
6969	419	0	0	False	4-(3-ethylthiophen-2-yl)benzene-1_2-diol
7006	419	0	0	False	n-[(1s)-2-{[(1r)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
7065	419	1	38	True	ivacaftor
7094	419	3	21	True	pitavastatin
7353	419	1	2	True	dasabuvir
7431	419	4	0	True	eluxadoline
7585	419	0	0	True	benzethonium
7827	419	0	0	True	lesinurad
7877	419	0	0	False	pf-4191834
8037	419	0	0	False	basimglurant
8174	419	0	0	False	sorivudine
8186	419	0	0	False	fevipiprant
8220	419	14	0	False	icariin
8444	419	0	0	False	radotinib
8471	419	2	0	False	piclozotan
8508	419	0	0	False	triciribine
8608	419	0	0	False	batefenterol
8710	419	0	0	False	gsk-376501
8728	419	0	0	False	atx-914
8943	419	4	0	False	didox
8994	419	0	0	False	rebastinib
9046	419	1	0	False	liarozole
9175	419	0	0	False	clofoctol
9803	419	0	0	False	j147
9828	419	0	0	False	azd-7325
10148	419	0	0	False	combretastatin_a4
10210	419	0	0	False	lanifibranor
10242	419	0	0	False	fosifloxuridine_nafalbenamide
10353	419	0	0	False	sitravatinib
10984	419	0	0	False	benzisothiazole_piperazine
11413	419	0	0	False	id11614
11608	419	0	0	False	2-phthalimidoglutaramic_acid
11788	419	0	0	False	pioglitazone_metabolite_m-vi
12049	419	0	0	False	20-hete
12228	419	0	0	False	n-ethyl-m-toluamide
12330	419	0	0	False	5-glutamyl-taurine
12409	419	0	0	False	(s)-dm-6717
12477	419	0	0	False	3_4-dihydroxyanisole
12647	419	0	0	False	n-desethyl_milnacipran
12820	419	0	0	False	deacetyl-o-desmethyldiltiazem
13073	419	0	0	False	α-ketoglutarate_hydrazone
13132	419	0	0	False	acalabrutinib_m27_metabolite_(acp-5862)
13193	419	0	0	False	favipiravir_nucleoside_triphosphate
103	420	16	89	True	ticlopidine
277	420	17	134	True	procyclidine
314	420	10	182	True	zolpidem
343	420	20	199	True	meperidine
346	420	38	39	True	prazosin
752	420	10	66	True	flupentixol
817	420	0	0	True	cycrimine
860	420	58	247	True	cytarabine
1148	420	1	16	True	sulfadoxine
1418	420	0	0	False	5-fluorouridine
1850	420	0	0	False	cytidine
2500	420	0	0	False	3-(alpha-d-galactopyranosyloxy)-5-nitrobenzamide
2618	420	0	0	False	mixed_carbamic_phosphoric_acid_anhydride_of_7_8-diaminononanic_acid
2830	420	0	0	False	2'-fluoro-2'-deoxyuridine_3'-monophosphate
3234	420	0	0	False	2_6-diaminopimelic_acid
3787	420	0	0	False	benzofuran
4179	420	0	0	False	5-iodotubercidin
4185	420	0	0	False	7_8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin
4881	420	0	0	False	elinogrel
5247	420	0	0	False	(2s)-2-{[hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic_acid
5347	420	0	0	False	4-(1_3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]-6-methylpyrimidine
5357	420	0	0	False	(2s)-n-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
5550	420	0	0	False	n-[(1s)-2-amino-1-(2_4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
5572	420	0	0	False	4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3_4-e]indole-1_3(2h_6h)-dione
5650	420	0	0	False	3-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3_4-d]pyrimidin-3-yl]phenol
5996	420	0	0	False	1-(2_3-dihydro-1_4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
6038	420	0	0	False	s-[5-(trifluoromethyl)-4h-1_2_4-triazol-3-yl]_5-(phenylethynyl)furan-2-carbothioate
6046	420	0	0	False	(2s)-1-[4-({6-[(2_6-difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol
6055	420	0	0	False	(2r)-1-[4-({6-[(2_6-difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol
6325	420	0	0	False	n~4~-methyl-n~4~-(3-methyl-1h-indazol-6-yl)-n~2~-(3_4_5-trimethoxyphenyl)pyrimidine-2_4-diamine
6380	420	0	0	False	2-(2_6-difluorophenoxy)-n-(2-fluorophenyl)-9-isopropyl-9h-purin-8-amine
6477	420	0	0	False	(5e_7s)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7_8-dihydroquinazolin-5(6h)-one_oxime
6484	420	0	0	False	3-diphenol-6-nitro-3h-benzo[de]isochromen-1-one
6700	420	0	0	False	phenyl_ethenesulfonate
6792	420	0	0	False	7-benzyl-1_3-dimethyl-8-piperazin-1-yl-3_7-dihydro-purine-2_6-dione
6984	420	0	0	False	(2r_3r)-n^1^-[(1s)-2_2-dimethyl-1-(methylcarbamoyl)propyl]-n^4^-hydroxy-2-(2-methylpropyl)-3-{[(1_3-thiazol-2-ylcarbonyl)amino]methyl}butanediamide
7367	420	0	0	False	mepiprazole
7763	420	0	0	True	phthalofyne
8146	420	1	0	False	ilaprazole
8157	420	0	0	False	golvatinib
8164	420	0	0	True	entrectinib
8233	420	0	0	False	bms-394136
8250	420	0	0	False	vanillyl_alcohol
8276	420	0	0	False	avoralstat
8290	420	0	0	False	elubrixin
8402	420	2	0	False	ecopipam
8423	420	1	0	False	bavisant
8610	420	0	0	False	glyceryl_trierucate
8673	420	0	0	False	netivudine
8679	420	0	0	False	reparixin
8755	420	0	0	False	seletalisib
8950	420	0	22	False	prothipendyl
9343	420	1	0	False	clofenotane
9445	420	0	0	False	isepamicin
9512	420	1	0	False	carbaspirin_calcium
9708	420	0	0	False	meprotixol
9818	420	0	0	False	5_7_2′-trihydroxy-6_8-dimethoxyflavone
9951	420	2	0	True	propylparaben
10234	420	0	0	False	filgotinib
10281	420	0	0	False	mavacamten
10290	420	0	0	False	gdc-0927
10329	420	0	0	False	umbralisib
10430	420	0	0	False	jnj-42165279
10568	420	0	0	False	acebilustat
10769	420	0	0	False	1-hydroxyphenylcarvedilol
10868	420	0	0	False	4'-n-desmethylolanzapine
10983	420	0	0	False	desethylzaleplon
11253	420	0	0	False	2_8-bis-trifluoromethyl-4-quinoline_carboxylic_acid
11360	420	0	0	False	clomipramine_n-oxide
11593	420	0	0	False	4-thioifosfamide
11728	420	0	0	False	methoxyzolpidem_derivative_(m4)
11774	420	0	0	False	lumiracoxib_metabolite_m8
11860	420	0	0	False	gs-563117
11958	420	0	0	False	nortrimebutine
11961	420	0	0	False	2-methylamino-2-phenylbutan-1-ol
12952	420	0	0	False	m4_(ketoconazole)
13052	420	0	0	False	7-hydroxyquetiapine
51	421	0	7	True	citrulline
76	421	57	320	True	baclofen
137	421	7	27	True	ranolazine
149	421	12	8	True	diethylstilbestrol
157	421	2	1	True	sulfisoxazole
395	421	0	4	True	nitazoxanide
575	421	36	2	True	phentolamine
587	421	1	17	True	delavirdine
931	421	10	0	True	acetophenazine
977	421	12	110	True	miconazole
1104	421	29	114	True	aripiprazole
1352	421	1	20	True	clotiazepam
1434	421	0	0	False	n-acetylmethionine
1531	421	0	0	False	s-adenosyl-l-homocysteine
1627	421	0	0	False	pimelic_acid
1801	421	0	0	False	n-[(furan-2-yl)carbonyl]-(s)-leucyl-(r)-[1-amino-2(1h-indol-3-yl)ethyl]-phosphonic_acid
1804	421	0	0	False	2-{4-[4-(4-chloro-phenoxy)-benzenesulfonyl]-tetrahydro-pyran-4-yl}-n-hydroxy-acetamide
1883	421	0	0	False	n-1-methylheptylformamide
2112	421	0	0	False	beta-d-glucose
2229	421	0	0	False	n-(r-carboxy-ethyl)-alpha-(s)-(2-phenylethyl)
2456	421	0	0	False	tosyl-d-proline
2560	421	0	0	False	glucosamine_4-phosphate
2604	421	0	0	False	2_4-diamino-6-phenyl-5_6_7_8_-tetrahydropteridine
2632	421	0	0	False	inositol_1_3-bisphosphate
2730	421	0	0	False	7-methoxy-8-[1-(methylsulfonyl)-1h-pyrazol-4-yl]naphthalene-2-carboximidamide
2923	421	0	0	False	2'-o-methyl-3'-methyl-3'-deoxy-arabinofuranosyl-thymine-5'-phosphate
3000	421	0	0	False	n-naphthalen-1-ylmethyl-2'-[3_5-dimethoxybenzamido]-2'-deoxy-adenosine
3117	421	0	0	False	n(4)-adenosyl-n(4)-methyl-2_4-diaminobutanoic_acid
3253	421	0	0	False	4-(trifluoromethyl)phenol
3267	421	0	0	False	5-methoxy-1_2-dimethyl-3-(phenoxymethyl)indole-4_7-dione
3436	421	0	0	False	9-butyl-8-(3-methoxybenzyl)-9h-purin-6-amine
3607	421	0	0	False	d-allopyranose
3738	421	0	0	False	beta-d-arabinofuranose_5-phosphate
3948	421	0	0	False	beta-d-ribose-5-phosphate
4045	421	0	0	False	3-(4-amino-1-tert-butyl-1h-pyrazolo[3_4-d]pyrimidin-3-yl)phenol
4177	421	0	0	False	puromycin_aminonucleoside-5'-monophosphate
4213	421	0	0	False	7-{2_6-dichloro-4-[3-(2-chloro-benzoyl)-ureido]-phenoxy}-heptanoic_acid
4325	421	0	0	False	guanosine-2'_3'-o-methylidenephosphonate
4374	421	0	0	False	4-nitrophenyl-(6-s-alpha-d-xylopyranosyl)-beta-d-glucopyranoside
4436	421	2	0	False	oleoyl-estrone
4720	421	0	0	False	hcv-086
4768	421	0	0	False	sns-314
4828	421	1	0	False	vadimezan
5188	421	0	0	False	n-(3-chlorobenzyl)-1-(4-methylpentanoyl)-l-prolinamide
5293	421	0	0	False	5-hydroxy-4-(7-methoxy-1_1-dioxido-2h-1_2_4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2h)-one
5310	421	0	0	False	(3_3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
5372	421	0	0	False	(2r)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
5374	421	0	0	False	2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-n_n-diethylacetamide
5513	421	0	0	False	4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thiophene-2-carboxylic_acid
5566	421	0	0	False	n'-(3-chloro-4-methoxy-phenyl)-n-(3_4_5-trimethoxyphenyl)-1_3_5-triazine-2_4-diamine
5992	421	0	0	False	n-(3_5-dibromo-4-hydroxyphenyl)-2_6-dimethylbenzamide
6228	421	1	0	False	ph-797804
6230	421	0	0	False	2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1h-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol
6334	421	0	0	False	(2r)-4-(2-benzoyl-1_2-diazepan-1-yl)-4-oxo-1-(2_4_5-trifluorophenyl)butan-2-amine
6469	421	0	0	False	emivirine
6511	421	0	0	False	[5-(5-amino-1h-pyrrolo[3_2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-3-biphenylyl]acetic_acid
6817	421	0	0	False	1-(3-bromophenyl)-7-chloro-6-methoxy-3_4-dihydroisoquinoline
6871	421	0	0	False	1_1_1-trifluoro-3-(octylthio)acetone
6910	421	0	0	False	9-acetyl-2_3_4_9-tetrahydro-1h-carbazol-1-one
7116	421	0	0	False	arbaclofen
7141	421	2	0	False	amperozide
7774	421	0	0	True	sulfaethoxypyridazine
7846	421	0	0	True	bilastine
7980	421	0	0	False	funapide
7983	421	0	0	False	bms-903452
8112	421	0	0	False	decoglurant
8259	421	0	0	False	l-baclofen
8304	421	0	0	False	brincidofovir
8590	421	0	0	False	e-7820
8631	421	0	49	True	mebeverine
8876	421	0	0	False	pradigastat
9062	421	0	0	False	scyx-7158
9154	421	0	0	True	oxolamine
9165	421	0	0	False	tribenoside
9246	421	0	0	False	sulfaperin
9272	421	0	0	True	bufexamac
9303	421	0	0	False	chlorproethazine
9383	421	0	0	False	phanquinone
9614	421	1	0	False	cypermethrin
9899	421	0	0	False	osbond_acid
9927	421	0	0	False	macelignan
10223	421	0	0	False	sb-649868
10478	421	0	0	False	nm-404_i-131
10705	421	0	0	False	8-hydroxy-r-acenocoumarol
11082	421	0	0	False	s-adenosylhomocysteine
11219	421	0	0	False	acetaminophen_sulfate
11401	421	0	0	False	hydroxyclomipramine
11484	421	0	0	False	4-hydroxy_ketorolac
11686	421	0	0	False	flunarizine_metabolite_m1
11816	421	0	0	False	indapamide_metabolite_m1
12088	421	0	0	False	10-oh-clomipramine
12136	421	0	0	False	5-chloro-n-ethyl-4-hydroxy-n-(4-hydroxyphenyl)-1-methyl-2-oxo-1_2-dihydroquinoline-3-carboxamide
12253	421	0	0	False	2-trans-hydroxycyclohexyl_glyburide
12497	421	0	0	False	α-d-galactose
12719	421	0	0	False	6-oxo-methylphenidate
12800	421	0	0	False	tamsulosin_m-4_metabolite
12935	421	0	0	False	m14_(ketoconazole)
12951	421	0	0	False	m3_(ketoconazole)
12990	421	0	0	False	tamoxifen_metabolite_e_glucuronide
38	422	0	0	True	glutamic_acid
40	422	1	0	True	phosphatidyl_serine
174	422	17	37	True	disopyramide
267	422	27	58	True	trihexyphenidyl
282	422	5	0	True	profenamine
325	422	6	112	True	bendroflumethiazide
337	422	28	142	True	lansoprazole
1339	422	0	0	False	etryptamine
1456	422	0	0	False	p-hydroxymercuribenzoic_acid
1768	422	0	0	False	n-(phosphonoacetyl)-l-ornithine
2045	422	0	0	False	5-monophosphate-9-beta-d-ribofuranosyl_xanthine
2241	422	0	0	False	d-glutamic_acid
2585	422	0	0	False	l-2-amino-6-methylene-pimelic_acid
2662	422	0	0	False	4-(5-bromo-2-oxo-2h-indol-3-ylazo)-benzenesulfonamide
2791	422	0	0	False	glucosamine_1-phosphate
3069	422	0	0	False	4-nitrocatechol
3403	422	0	0	False	2-hexyloxy-6-hydroxymethyl-tetrahydro-pyran-3_5-diol
3474	422	0	0	False	benzenesulfinic_acid
3840	422	0	0	False	2-amino-3-(1h-indol-3-yl)-propan-1-ol
4098	422	0	0	False	3-[4-(2_4-dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol
4198	422	0	0	True	apramycin
4583	422	0	36	True	dexlansoprazole
4594	422	0	0	False	emricasan
4633	422	3	0	False	piclidenoson
4757	422	0	0	False	friulimicin_b
4872	422	0	0	False	r-348
4957	422	1	0	False	pafuramidine
5003	422	1	0	False	zibotentan
5013	422	0	0	False	anamorelin
5168	422	0	0	False	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide
5175	422	0	0	False	n-cycloheptylglycyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
5229	422	0	0	False	[4-r-(4-alpha_6-beta_7-beta]-hexahydro-5_6-di(hydroxy)-1_3-di(allyl)-4_7-bisphenylmethyl)-2h-1_3-diazepinone
5436	422	3	0	False	hymecromone
5565	422	0	0	False	n'-(5-chloro-1_3-benzodioxol-4-yl)-n-(3_4_5-_trimethoxyphenyl)pyrimidine-2_4-diamine
5632	422	0	0	False	(3e)-3-[(phenylamino)methylidene]dihydrofuran-2(3h)-one
5792	422	0	0	False	4_4'-cyclohexane-1_1-diyldiphenol
5868	422	0	0	False	1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7h-pyrrolo[2_3-d]pyrimidin-2-yl}methanamine
5945	422	0	0	False	5-{[1-(2_3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2_4-diamine
6020	422	0	0	False	3-(5-methoxy-1h-indol-3-yl)propanoic_acid
6061	422	14	0	False	ferulic_acid
6102	422	0	0	False	n-cyclopropyl-2'_6-dimethyl-4'-(5-methyl-1_3_4-oxadiazol-2-yl)biphenyl-3-carboxamide
6128	422	0	0	False	n~2~-1_3-benzoxazol-2-yl-3-cyclohexyl-n-{2-[(4-methoxyphenyl)amino]ethyl}-l-alaninamide
6266	422	0	0	False	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1r)-1-(hydroxymethyl)propyl]acetamide
6269	422	0	0	False	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-n-[(1s)-1-(hydroxymethyl)propyl]acetamide
6288	422	0	0	False	4-{[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino}-n-ethylpiperidine-1-carboxamide
6340	422	0	0	False	n-(2-chloro-6-methylphenyl)-8-[(3s)-3-methylpiperazin-1-yl]imidazo[1_5-a]quinoxalin-4-amine
6390	422	0	0	False	n-{[6-(pentyloxy)naphthalen-2-yl]sulfonyl}-d-glutamic_acid
6430	422	0	0	False	1-[4-(4-chlorophenyl)-1-(7h-pyrrolo[2_3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
6437	422	0	0	False	n-{2-[4-(aminosulfonyl)phenyl]ethyl}acetamide
6546	422	0	0	False	6-amino-4-[2-(4-methylphenyl)ethyl]-1_7-dihydro-8h-imidazo[4_5-g]quinazolin-8-one
6625	422	0	0	False	2-(cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1_5-a][1_3_5]triazine-8-carbonitrile
6726	422	0	0	False	3-{5-[(6-amino-1h-pyrazolo[3_4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile
6757	422	0	0	False	s-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl}_6-methyl-3_4-dihydroquinoline-1(2h)-carbothioate
7070	422	0	18	True	lomitapide
7395	422	1	0	False	barnidipine
7448	422	3	0	False	ramosetron
8224	422	0	0	False	recoflavone
8232	422	2	0	False	orteronel
8583	422	0	0	False	sgi-1776
8812	422	0	0	False	higenamine
8882	422	1	0	False	quizartinib
8888	422	10	0	False	indole-3-carbinol
8897	422	2	0	False	dihydrexidine
9393	422	1	0	False	tenidap
9524	422	0	1	True	methoxyphenamine
9529	422	0	0	False	mofebutazone
9579	422	0	0	False	quinisocaine
9956	422	14	0	True	cinnamaldehyde
10178	422	0	0	False	phenolsulfonic_acid
10476	422	0	0	False	mk-0533
10704	422	0	0	False	7-hydroxy-r-acenocoumarol
10767	422	0	0	False	5'-hydroxyphenylcarvedilol
11203	422	0	0	False	3_4-dihydroxyphenylacetone
11609	422	0	0	False	2-phthalimidoglutaric_acid
11862	422	0	0	False	vortioxetine_metabolite_1
12015	422	0	0	False	5'-oh-carvedilol
12079	422	0	0	False	chlorpromazine_s-oxide
12082	422	0	0	False	cinnamaldehyde
12247	422	0	0	False	zotepine_n-oxide
12327	422	0	0	False	o-demethylated_acemetacin
12335	422	0	0	False	m1_(blonanserin)
12337	422	0	0	False	m3_(blonanserin)
26	423	0	28	True	l-glutamine
104	423	0	44	True	trospium
301	423	94	137	True	rosiglitazone
588	423	8	132	True	tamsulosin
725	423	21	9	True	levamisole
842	423	4	32	True	alosetron
1169	423	13	8	True	cilazapril
1209	423	15	25	True	methotrimeprazine
1295	423	0	0	False	barbituric_acid_derivative
1765	423	0	0	False	1-(2-fluorobenzyl)-3-butyl-8-(n-acetyl-4-aminobenzyl)-xanthine
1919	423	0	0	False	1_8-di-hydroxy-4-nitro-xanthen-9-one
1922	423	0	0	False	d-glutamine
2291	423	1	0	False	pd150606
2329	423	0	0	False	balanol_analog_1
2529	423	0	0	False	[4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
2710	423	0	0	False	1-tert-butyl-3-(4-chloro-phenyl)-1h-pyrazolo[3_4-d]pyrimidin-4-ylamine
3427	423	0	0	False	2'-deoxycytidine-5'-monophosphate
3495	423	0	0	False	5'-o-(l-serylsulfamoyl)adenosine
3563	423	0	0	False	carboxylic_prpp
3592	423	0	0	False	l-homoarginine
3676	423	0	0	False	alpha-amino-2-indanacetic_acid
4265	423	0	0	False	4-chloro-3'_3''-dibromophenol-1_8-naphthalein
4322	423	0	0	False	guanosine-2'_3'-o-ethylidenephosphonate
4577	423	0	0	False	tetomilast
4741	423	0	0	False	raf-265
4912	423	1	0	False	ravuconazole
4980	423	1	101	True	pazopanib
5276	423	0	0	False	4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1h-pyrazol-5-yl)benzene-1_3-diol
5689	423	0	0	False	5-(dimethylamino)-1-naphthalenesulfonic_acid(dansyl_acid)
5726	423	0	0	False	4-[(1s)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1h-imidazol-2-amine
5797	423	0	0	False	2-[1-(4-chloro-phenyl)-ethyl]-4_6-dinitro-phenol
5861	423	0	0	False	n-hydroxy-2(r)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanamide_hydrochloride
5934	423	0	0	False	5-(2-chlorophenyl)-1_3_4-thiadiazole-2-sulfonamide
5977	423	0	0	False	3-({[(3s)-3_4-dihydroxybutyl]oxy}amino)-1h_2'h-2_3'-biindol-2'-one
6205	423	0	0	False	2-heptyl-4-hydroxyquinoline_n-oxide
6218	423	0	0	False	hexestrol
6336	423	0	0	False	1-cyclobutyl-3-(3_4-dimethoxyphenyl)-1h-pyrazolo[3_4-d]pyrimidin-4-amine
6431	423	0	0	False	1-[4-(4-chlorobenzyl)-1-(7h-pyrrolo[2_3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
6459	423	0	0	False	(e)-3-(5((5-(4-chlorophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic_acid
6523	423	0	0	False	1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole
6829	423	0	0	False	3-pyridin-4-yl-2_4-dihydro-indeno[1_2-.c.]_pyrazole
7144	423	0	29	True	riociguat
7739	423	0	0	True	gleptoferron
7815	423	0	0	True	propiopromazine
8055	423	0	0	False	leukotriene_d4
8210	423	0	0	False	ibodutant
8222	423	0	0	False	mk-0767
8653	423	1	0	False	jnj-37822681
9060	423	2	0	False	talarozole
9500	423	2	0	False	deltamethrin
9852	423	0	0	False	pzm21
10498	423	0	0	False	cb-103
10668	423	6	0	False	zingerone
10730	423	0	0	False	n-desmethylterbinafine
10878	423	0	0	False	s-nirvanol
10903	423	0	0	False	4'-hydroxypropanolol
10939	423	0	0	False	ortho-hydroxyatorvastatin
11394	423	0	0	False	gemcitabine_triphosphate
11468	423	0	0	False	nor-ketotifen
11756	423	0	0	False	ortho-hydroxyatorvastatin_lactone
11948	423	0	0	False	m-iodohippuric_acid
13144	423	0	0	False	acalabrutinib_m14_metabolite_(acp-5825)
138	424	21	150	True	mesalazine
711	424	7	56	True	cefaclor
767	424	0	0	True	dienestrol
796	424	15	46	True	ketotifen
900	424	28	44	True	irbesartan
1020	424	1	3	True	sertaconazole
1250	424	0	0	False	4-methylaminorex
1316	424	0	0	False	clonitazene
1366	424	0	0	False	benzylmorphine
1445	424	0	0	False	3-(1_10-phenanthrol-2-yl)-l-alanine
1497	424	0	0	False	7_8-diamino-nonanoic_acid
1582	424	0	0	False	1-ter-butyl-3-p-tolyl-1h-pyrazolo[3_4-d]pyrimidin-4-ylamine
1859	424	0	0	False	[3_5-dibromo-4-(4-hydroxy-3-phenethylcarbamoyl-phenoxy)-phenyl]-acetic_acid
1882	424	0	0	False	vanillic_acid
1884	424	0	0	False	zenarestat
2333	424	0	0	False	fr117016
2354	424	0	0	False	4-methylumbelliferyl_α-d-glucoside
2395	424	0	0	False	5'-o-(l-cysteinylsulfamoyl)adenosine
2417	424	0	0	True	resveratrol
2758	424	0	0	False	3-[[(3r_4s_5s_6r)-7-benzyl-4_5-dihydroxy-1_1-dioxo-3_6-bis(phenoxymethyl)-1_2_7-thiadiazepan-2-yl]methyl]-n-methylbenzamide
2770	424	0	0	False	ethylaminobenzylmethylcarbonyl_group
2781	424	0	0	False	ribose-1-phosphate
3004	424	0	0	False	bia
3191	424	0	0	False	10-propargyl-5_8-dideazafolic_acid
3522	424	0	0	False	9-butyl-8-(4-methoxybenzyl)-9h-purin-6-amine
4573	424	6	22	True	vandetanib
4643	424	0	0	False	bms-488043
5292	424	0	0	False	4_4'-propane-2_2-diyldiphenol
5326	424	0	0	False	4-(1_3-benzodioxol-5-yloxy)-2-[4-(1h-imidazol-1-yl)phenoxy]pyrimidine
5712	424	0	0	False	methyl_(2z)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate
5769	424	0	0	False	3-amino-3-benzyl-9-carboxamide[4.3.0]bicyclo-1_6-diazanonan-2-one
5886	424	0	0	False	(4r_2s)-5'-(4-(4-chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
6045	424	0	0	False	(2r)-1-[4-({4-[(2_5-dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol
6049	424	0	0	False	(2s)-1-[4-({4-[(2_5-dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol
6083	424	0	0	False	4-{[4-(1-cyclopropyl-2-methyl-1h-imidazol-5-yl)pyrimidin-2-yl]amino}-n-methylbenzenesulfonamide
6206	424	0	0	False	7-methoxy-1-methyl-9h-beta-carboline
6356	424	0	0	False	(2s)-1-(1h-indol-3-yl)-3-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}propan-2-amine
6368	424	0	0	False	1-(4-hexylphenyl)prop-2-en-1-one
6395	424	0	0	False	n-({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic_acid
6594	424	0	0	False	(1s_2s_3r_6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1_2_3-triol
6627	424	0	0	False	1-methyl-8-(phenylamino)-4_5-dihydro-1h-pyrazolo[4_3-h]quinazoline-3-carboxylic_acid
6640	424	0	0	False	octane-1_3_5_7-tetracarboxylic_acid
6692	424	0	0	False	[5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl](3-{[(2r)-2_3-dihydroxypropyl]oxy}phenyl)methanone
6750	424	0	0	False	3-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide
6895	424	0	0	False	dapivirine
6999	424	0	0	False	4-(dimethylamino)benzoic_acid
7176	424	0	0	True	dimetotiazine
7459	424	0	0	False	aptazapine
7657	424	0	0	False	triethoxycaprylylsilane
7721	424	0	0	True	decoquinate
7929	424	0	0	False	adomeglivant
8080	424	0	0	False	infigratinib
8327	424	0	0	False	sapitinib
8523	424	0	0	False	fozivudine_tidoxil
8556	424	0	0	False	ralinepag
8661	424	0	0	False	indiplon
8774	424	0	0	False	asp-3026
8817	424	0	0	False	ns-018
9131	424	0	0	False	4-methylumbelliferyl_beta-d-glucoside
9462	424	3	0	False	thiopropazate
9553	424	0	0	False	eberconazole
9723	424	0	0	False	doxefazepam
10607	424	0	0	False	setogepram
10634	424	0	0	False	cerdulatinib
10685	424	0	0	False	sulfamethoxazole_n4-hydroxylamine
10748	424	0	0	False	2-chloroticlopidine
10949	424	0	0	False	n-desmethyldiltiazem
10986	424	0	0	False	5-aminosalicylic_acid
11397	424	0	0	False	hydralazine_pyruvate_hydrazone
11403	424	0	0	False	hydroxydesmethyl_doxepin
11405	424	0	0	False	(e)-2-hydroxy-n-desmethyldoxepin
11667	424	0	0	False	carboxyterbinafine
11772	424	0	0	False	4'-hydroxy-5-carboxylumiracoxib_(m5)
12053	424	0	0	False	16-hete
12099	424	0	0	False	n-demethyldiltiazem
12597	424	0	0	False	glasdegib_m10
12813	424	0	0	False	5-hydroxy_duloxetine
12819	424	0	0	False	deacetyldiltiazem
12837	424	0	0	False	reduced_o-desmethyl-3-hydroxy-nabumetone
12945	424	0	0	False	ketoconazole_ketone_intermediate
13139	424	0	0	False	acalabrutinib_m5_metabolite_(acp-5530)
119	425	6	67	True	indinavir
210	425	27	126	True	gefitinib
311	425	31	159	True	methylphenidate
574	425	2	18	True	moexipril
648	425	4	36	True	olopatadine
1116	425	2	8	True	olsalazine
1147	425	0	0	True	sulfacytine
1482	425	4	0	False	aica_ribonucleotide
1707	425	0	0	False	1-(2_6-dichlorophenyl)-5-(2_4-difluorophenyl)-7-piperidin-4-yl-3_4-dihydroquinolin-2(1h)-one
1931	425	0	0	False	adenosine-5'-ditungstate
2282	425	0	0	False	[(1s)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2s)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron
2450	425	10	0	False	uridine
2561	425	0	0	False	dansylamide
2608	425	0	0	False	[(2r_3s_4r_5r)-5-(6-amino-9h-purin-9-yl)-3_4-dihydroxytetrahydro-2-furanyl]methyl_sulfamate
2703	425	0	0	False	cra_1801
2847	425	0	0	False	tubercidin
2892	425	0	0	False	n-acetyl-n'-beta-d-glucopyranosyl_urea
3040	425	0	0	False	zk-806711
3185	425	0	0	False	3-[(acetyl-methyl-amino)-methyl]-4-amino-n-methyl-n-(1-methyl-1h-indol-2-ylmethyl)-benzamide
3250	425	0	0	False	[(1r)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2s)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron
3539	425	0	0	False	4-{2-[4-(2-aminoethyl)piperazin-1-yl]pyridin-4-yl}-n-(3-chloro-4-methylphenyl)pyrimidin-2-amine
4057	425	0	0	False	trencam-3_2-hopo
4186	425	0	0	False	n-methylalanyl-3-methylvalyl-4-phenoxy-n-(1_2_3_4-tetrahydronaphthalen-1-yl)prolinamide
4196	425	0	0	False	2-ethoxyethyl_(2s_3s)-4-((s)-2-benzyl-3-oxo-4-((3ar_8r_8as)-2-oxo-3_3a_8_8a-tetrahydro-2h-indeno[1_2-d]oxazol-8-yl)-2_3-dihydro-1h-pyrrol-2-yl)-3-hydroxy-1-phenylbutan-2-ylcarbamate
4455	425	0	14	True	bepotastine
4771	425	3	5	True	sertindole
4950	425	0	0	False	edaglitazone
5045	425	0	37	True	dexmethylphenidate
5166	425	0	0	False	2'_5'-dideoxy-adenosine_3'-monophosphate
5286	425	0	0	False	6-ethyl-5-[9-(3-methoxypropyl)-9h-carbazol-2-yl]pyrimidine-2_4-diamine
5296	425	0	0	False	n'-[(1e)-(3_5-dibromo-2_4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
5370	425	0	0	False	5'-s-ethyl-5'-thioadenosine
5569	425	0	0	False	n-[3-[[4-[(5-chloro-1_3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
5579	425	0	0	False	(s)-n-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide
5843	425	0	0	False	n'-(6-aminopyridin-3-yl)-n-(2-cyclopentylethyl)-4-methyl-benzene-1_3-dicarboxamide
6314	425	0	0	False	n-[(13-cyclohexyl-6_7-dihydroindolo[1_2-d][1_4]benzoxazepin-10-yl)carbonyl]-2-methyl-l-alanine
6355	425	0	0	False	4-(2-aminoethoxy)-3_5-dichloro-n-[3-(1-methylethoxy)phenyl]benzamide
6432	425	0	0	False	4-(4-chlorobenzyl)-1-(7h-pyrrolo[2_3-d]pyrimidin-4-yl)piperidin-4-aminium
6621	425	0	0	False	n-cyclopropyl-3-{[1-(2_4-difluorophenyl)-7-methyl-6-oxo-6_7-dihydro-1h-pyrazolo[3_4-b]pyridin-4-yl]amino}-4-methylbenzamide
6791	425	0	0	False	(6e_11e)-heptadeca-6_11-diene-9_9-diylbis(phosphonic_acid)
6837	425	0	0	False	3-[(3-(2-carboxyethyl)-4-methylpyrrol-2-yl)methylene]-2-indolinone
6963	425	0	0	False	methyl_vanillate
7398	425	3	0	False	benidipine
7725	425	0	0	True	diclazuril
8052	425	0	0	False	tegobuvir
8142	425	0	0	False	carboxyamidotriazole
8225	425	0	0	False	jnj-40411813
8535	425	1	0	False	vofopitant
8979	425	0	0	False	ly-518674
9130	425	0	0	False	rheinanthrone
9262	425	0	0	False	dimethylphthalate
9267	425	0	0	False	fenozolone
10239	425	0	0	False	2-(aminomethyl)phenol
10703	425	0	0	False	6-hydroxy-r-acenocoumarol
10766	425	0	0	False	4'-hydroxyphenylcarvedilol
10928	425	0	0	False	norfentanyl
11301	425	0	0	False	4'-hydroxyphenyl_carvedilol
11897	425	0	0	False	uridine
12157	425	0	0	False	4-hydroxyminaprine
12549	425	0	0	False	empagliflozin-2-glucuronide
12814	425	0	0	False	6-hydroxy_duloxetine
12867	425	0	0	False	prochlorperazine_7-hydroxide
12912	425	0	0	False	2-(2_6-dichlorophenylamino)-benzyl-s-thioether_glutathione
13133	425	0	0	False	acalabrutinib_m16_metabolite
506	426	27	104	True	nicardipine
507	426	12	35	True	fluphenazine
518	426	0	10	True	sulfacetamide
567	426	32	120	True	tobramycin
628	426	0	10	True	carbinoxamine
856	426	0	135	True	formoterol
950	426	24	50	True	streptomycin
1054	426	0	0	True	iophendylate
1133	426	0	13	True	arformoterol
1507	426	2	0	False	2-aminophenol
1536	426	0	0	False	3-iodo-tyrosine
1837	426	0	0	False	cra_17312
1915	426	0	0	False	propidium
1955	426	0	0	False	metanitrophenyl-alpha-d-galactoside
1977	426	0	0	False	glycinamide_ribonucleotide
1997	426	0	0	False	3-(3_5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic_acid_(4-sulfamoyl-phenyl)-amide
2091	426	0	0	False	ly374571
2098	426	0	0	False	1_10-phenanthroline
2290	426	0	0	False	2'_3'-dehydro-2'_3'-deoxy-thymidine_5'-diphosphate
2371	426	0	0	False	glucosamine_6-phosphate
2415	426	0	0	False	mercaptocarboxylate_inhibitor
2446	426	0	0	False	cd564
2474	426	0	0	False	(3-chloro-4-propoxy-phenyl)-acetic_acid
2720	426	0	0	False	1_8-di-hydroxy-4-nitro-anthraquinone
2735	426	2	0	False	dazoxiben
3565	426	0	0	False	5-[1-(3_4-dimethoxy-benzoyl)-1_2_3_4-tetrahydro-quinolin-6-yl]-6-methyl-3_6-dihydro-[1_3_4]thiadiazin-2-one
4174	426	4	0	False	aniracetam
4215	426	0	0	False	4-{4-[3-(2_4-dichloro-benzoyl)-ureido]-2_3-dimethyl-phenoxy}-butyric_acid
4419	426	0	0	False	binodenoson
4668	426	0	0	False	ddp-225
4817	426	0	64	True	regadenoson
4932	426	0	0	False	fradafiban
4987	426	4	7	True	panobinostat
5170	426	0	0	False	1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3_4'-piperidin]-5-yl)methanamine
5278	426	0	0	False	(2s)-1-(3h-indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine
5318	426	0	0	False	n-{2_4-difluoro-3-[(5-pyridin-3-yl-1h-pyrrolo[2_3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide
5329	426	0	0	False	(3s)-1-(1_3-benzodioxol-5-ylmethyl)-3-[4-(1h-imidazol-1-yl)phenoxy]piperidine
5470	426	0	0	False	n-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1h-imidazol-2-yl]acetamide
5535	426	0	0	False	n-[5-(1_1-dioxidoisothiazolidin-2-yl)-1h-indazol-3-yl]-2-(4-piperidin-1-ylphenyl)acetamide
5570	426	0	0	False	n'-(5-chloro-1_3-benzodioxol-4-yl)-n-(3-morpholin-4-ylphenyl)pyrimidine-2_4-diamine
5675	426	0	0	False	1-{5-[2-(thieno[3_2-d]pyrimidin-4-ylamino)ethyl]-1_3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
5786	426	0	0	False	(1s)-1_2_3_4-tetrahydro-benzo[c]phenanthrene-2_3_4-triol
5896	426	0	0	False	1-(phenylmethyl)cyclopentyl[(1s)-1-formylpentyl]carbamate
5986	426	0	0	False	4-{[5-(cyclohexylamino)[1_2_4]triazolo[1_5-a]pyrimidin-7-yl]amino}benzenesulfonamide
6096	426	0	0	False	3-chloro-2_2-dimethyl-n-[4-(trifluoromethyl)phenyl]propanamide
6388	426	0	0	False	n-[(6-butoxynaphthalen-2-yl)sulfonyl]-l-glutamic_acid
6389	426	0	0	False	n-[(6-butoxynaphthalen-2-yl)sulfonyl]-d-glutamic_acid
6418	426	0	0	False	4-(acetylamino)-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide
6452	426	0	0	False	(1r)-n_6-dihydroxy-7-methoxy-2-[(4-methoxyphenyl)sulfonyl]-1_2_3_4-tetrahydroisoquinoline-1-carboxamide
6466	426	0	0	False	2-methylthio-n6-isopentenyl-adenosine-5'-monophosphate
6528	426	0	0	False	(5s)-5-(3-aminopropyl)-3-(2_5-difluorophenyl)-n-ethyl-5-phenyl-4_5-dihydro-1h-pyrazole-1-carboxamide
6893	426	0	0	False	4-(2-methoxyphenyl)-2-oxobut-3-enoic_acid
6905	426	0	0	False	(1s)-1-amino-2-(1h-indol-3-yl)ethanol
6906	426	0	0	False	3'-thio-thymidine-5'-phosphate
7066	426	0	0	True	azilsartan_medoxomil
7221	426	0	0	False	captodiame
7639	426	0	0	True	ethylhexyl_methoxycrylene
7884	426	0	0	True	bremelanotide
8002	426	0	0	False	gsk-2636771
8036	426	0	0	False	crenolanib
8144	426	0	0	False	gsk-1059615
8262	426	0	0	False	cc-220
8351	426	0	0	False	psi-697
8386	426	0	0	False	gdc-0810
8396	426	0	0	True	brigatinib
8434	426	0	0	False	cp1-1189
8687	426	0	0	False	octenidine
9117	426	0	1	True	inosine_pranobex
9210	426	0	0	False	idanpramine
9211	426	0	0	True	benziodarone
9274	426	1	0	False	tiadenol
9492	426	0	0	False	metopimazine
9516	426	1	0	False	melagatran
9739	426	12	9	True	anethole_trithione
9770	426	0	0	False	toyocamycin
10671	426	0	0	True	aminopromazine
10752	426	0	0	False	dehydrogenated_ticlopidine
10866	426	0	0	False	8-hydroxymirtazapine
11347	426	0	0	False	beta-(2-methoxyphenoxy)-lactic_acid
11348	426	0	0	False	captopril-cysteine_disulfide
11547	426	0	0	False	sulfamethoxazole_gsh_conjugate
11815	426	0	0	False	indapamide_metabolite_m2
12140	426	0	0	False	5-chloro-n-ethyl-4_7-dihydroxy-1-methyl-2-oxo-n-phenyl-1_2-dihydroquinoline-3-carboxamide
12242	426	0	0	False	3-hydroxycyclopentyl_n-[3-({2-methoxy-4-[(2-methylbenzenesulfonyl)carbamoyl]phenyl}methyl)-1-methylindol-5-yl]carbamate
12479	426	0	0	False	4-hydroxy-3-methoxyanisole
12600	426	0	0	False	glasdegib_m11
12618	426	0	0	False	cvt-4736
169	427	17	70	True	olmesartan
555	427	7	10	True	chlorpropamide
605	427	13	108	True	imiquimod
807	427	0	58	True	tipranavir
970	427	0	0	True	arbutamine
1041	427	54	110	True	phenobarbital
1196	427	0	0	True	glymidine
1240	427	1	0	True	glutethimide
1290	427	1	0	False	aminorex
1512	427	0	0	False	(4r_5s_6s_7r)-1_3-dibenzyl-4_7-bis(phenoxymethyl)-5_6-dihydroxy-1_3_diazepan-2-one
1869	427	0	0	False	olomoucine
1938	427	0	0	False	(7as_12ar_12bs)-1_2_3_4_7a_12_12a_12b-octahydroindolo[2_3-a]quinolizin-7(6h)-one
2182	427	0	0	False	fluoresceinylthioureido
2303	427	0	0	False	n6-(2_5-dimethoxy-benzyl)-n6-methyl-pyrido[2_3-d]pyrimidine-2_4_6-triamine
2755	427	0	0	False	3-methoxybenzamide
3275	427	0	0	False	1_3-di(n-propyloxy-a-mannopyranosyl)-carbomyl_5-methyazido-benzene
3332	427	0	0	False	4-sulfonamide-[1-(4-aminobutane)]benzamide
3634	427	0	0	False	2-[3-({methyl[1-(2-naphthoyl)piperidin-4-yl]amino}carbonyl)-2-naphthyl]-1-(1-naphthyl)-2-oxoethylphosphonic_acid
4366	427	0	0	False	6-hydroxy-5-undecyl-4_7-benzothiazoledione
4446	427	0	0	False	elacridar
4488	427	0	0	False	tecadenoson
4738	427	0	0	False	inosine_5'-sulfate
4773	427	1	0	True	sulfathiazole
4775	427	0	0	True	sulfadimethoxine
4838	427	0	0	False	dersalazine
5172	427	0	0	False	(s)-n-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide
5459	427	0	0	False	5-[(3r)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2_4-diamine
5548	427	0	0	False	n-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-d-tryptophan
6011	427	0	0	False	6-(3-methyl-1_4-dioxo-1_4-dihydronaphthalen-2-yl)hexanoic_acid
6439	427	0	0	False	ethyl_3-[4-(aminosulfonyl)phenyl]propanoate
6547	427	0	0	False	n-(2-aminoethyl)-n~2~-{(1s)-1-[4'-(aminosulfonyl)biphenyl-4-yl]-2_2_2-trifluoroethyl}-l-leucinamide
6600	427	0	0	False	2-(3_6-dihydroxyphenyl)acetic_acid
6753	427	0	0	False	cts-1027
6870	427	0	0	False	2-[(2'_3'_4'-trifluorobiphenyl-2-yl)oxy]ethanol
7046	427	0	0	False	sulfamoxole
7049	427	1	16	True	dimetindene
7187	427	0	0	False	fenspiride
7267	427	2	2	True	lenvatinib
8018	427	0	0	False	mipsagargin
8241	427	0	0	False	enobosarm
8273	427	0	0	False	azd-9164
8305	427	6	13	True	citicoline
8452	427	0	0	False	gdc-0917
8541	427	0	0	False	theanine
8587	427	0	0	True	fedratinib
8792	427	2	0	False	bucindolol
8815	427	0	0	False	sch-486757
8931	427	0	0	False	granotapide
9112	427	0	0	False	methallenestril
9129	427	1	0	False	rhein
9431	427	0	0	False	propyphenazone
9534	427	0	0	False	tiracizine
9655	427	0	0	False	vorozole
9779	427	0	0	False	relcovaptan
10508	427	1	0	False	epalrestat
10694	427	0	0	False	cgp71422
10818	427	0	0	False	lansoprazole_sulfone
10883	427	0	0	False	phenobarbital
10900	427	0	0	False	zafirlukast_metabolite_m5
11550	427	0	0	False	irbesartan_derivative_m3
11702	427	0	0	False	3-hydroxypromazine
11747	427	0	0	False	4'_5-dihydroxydiclofenac
12278	427	0	0	False	8-oh-mirtazapine
12383	427	0	0	False	m1_(piperaquine)
12440	427	0	0	False	m24
13075	427	0	0	False	acetylhydrazinophthalazinone
235	428	65	103	True	diltiazem
389	428	7	1	True	tolmetin
391	428	63	163	True	haloperidol
526	428	5	77	True	pemetrexed
1140	428	6	47	True	fenoterol
1534	428	0	0	False	n-[isoleucinyl]-n'-[adenosyl]-diaminosufone
1764	428	0	0	False	alpha-d-glucose_6-phosphate
2048	428	0	0	False	beta-d-galactose_6-phosphate
2262	428	0	0	False	(10s)-10-formyl-5_8_10-trideazafolic_acid
2580	428	0	0	False	2'_3'-dehydro-2'_3'-deoxy-thymidine_5'-triphosphate
2593	428	0	0	False	alpha-d-mannose_6-phosphate
2762	428	0	0	False	[n-[n-(4-methoxy-2_3_6-trimethylphenylsulfonyl)-l-aspartyl]-d-(4-amidino-phenylalanyl)]-piperidine
3124	428	21	0	False	naringenin
3179	428	0	0	False	al5927
3285	428	0	0	False	3-hydroxyanthranilic_acid
3297	428	0	0	False	1-deoxy-1-methoxycarbamido-beta-d-glucopyranose
3733	428	0	0	False	beta-d-glucose_6-phosphate
3857	428	0	0	False	4-(1-amino-1-carboxy-ethyl)-benzoic_acid
3886	428	0	0	False	{4-[(2s_4e)-2-(1_3-benzothiazol-2-yl)-2-(1h-1_2_3-benzotriazol-1-yl)-5-phenylpent-4-enyl]phenyl}(difluoro)methylphosphonic_acid
4003	428	0	0	False	p-nitrophenol
4076	428	0	0	False	ru81843
4534	428	0	0	False	rilapladib
4893	428	0	0	False	nicaraven
5125	428	0	0	True	mafenide
5162	428	0	0	False	n-(ethoxycarbonyl)-l-leucine
5239	428	0	0	False	eribaxaban
5363	428	0	0	False	(2r_3r_4s_5r)-2-[6-amino-8-[(3_4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3_4-diol
5425	428	0	0	False	(1s)-2-(1h-indol-3-yl)-1-[({5-[(e)-2-pyridin-4-ylvinyl]pyridin-3-yl}oxy)methyl]ethylamine
5554	428	0	0	False	7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1h-benzimidazole-5-carbonitrile
5591	428	0	0	False	5-cyano-n-(2_5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide
5595	428	0	0	False	5-[4-(dimethylamino)phenyl]-6-[(6-morpholin-4-ylpyridin-3-yl)ethynyl]pyrimidin-4-amine
5677	428	0	0	False	thiophene-2_5-disulfonic_acid_2-amide-5-(4-methyl-benzylamide)
5747	428	0	0	False	1-((2-hydroxyethoxy)methyl)-5-benzylpyrimidine-2_4(1h_3h)-dione
6159	428	0	0	False	(2s)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic_acid
6161	428	0	0	False	5-chloro-n-[(3r)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2h)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
6359	428	0	0	False	4-[1-(2_6-dichlorobenzyl)-2-methyl-1h-imidazol-4-yl]pyrimidin-2-amine
6467	428	0	0	False	(3e)-4-(1-methyl-1h-indol-3-yl)but-3-en-2-one
6768	428	0	0	False	methyl_4-bromo-n-[8-(hydroxyamino)-8-oxooctanoyl]-l-phenylalaninate
6874	428	0	0	False	2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1_3-benzothiazol-3-ium
6894	428	0	0	False	2-amino-3-(1-hydroperoxy-1h-indol-3-yl)propan-1-ol
6902	428	0	0	False	trw3-(2-amino-3-hydroxy-propyl)-6-(n'-cyclohexyl-hydrazino)octahydro-indol-7-ol
6937	428	0	0	False	rel-(9r_12s)-9_10_11_12-tetrahydro-9_12-epoxy-1h-diindolo[1_2_3-fg:3'_2'_1'-kl]pyrrolo[3_4-i][1_6]benzodiazocine-1_3(2h)-dione
6941	428	0	0	False	fg-2216
7040	428	0	0	False	1-[(2-nitrophenyl)sulfonyl]-1h-pyrrolo[3_2-b]pyridine-6-carboxamide
7095	428	1	0	False	dpdpe
7808	428	0	0	True	hygromycin_b
7899	428	0	0	False	azd-4877
7902	428	2	0	False	equol
7961	428	0	0	False	otenabant
8065	428	0	0	False	rg-4733
8591	428	0	0	False	fenamole
8703	428	0	0	False	azd-2066
8855	428	0	0	False	tetrasul
9088	428	0	0	False	jnj-38877605
9097	428	0	0	False	trabodenoson
9451	428	0	0	False	nizofenone
9580	428	0	0	False	omoconazole
9691	428	1	0	False	xipamide
9794	428	0	0	False	n-(2-hydroxybenzyl)-2_5-dimethoxy-4-cyanophenylethylamine
10305	428	0	0	False	bms-929075
10344	428	0	0	False	apararenone
10663	428	13	0	False	luteolin
10747	428	0	0	False	eletriptan_n-oxide
11248	428	0	0	False	2-hydroxy-4-trifluoromethyl_benzoic_acid
11493	428	0	0	False	phenylacetic_acid-n-isopropylnortropine-ester_methobromide
11797	428	0	0	False	licofelone_metabolite_m4
11959	428	0	0	False	n-didesmethyltrimebutine
11990	428	0	0	False	prt062982
12395	428	0	0	False	4-_hydroxyphenelzine
12478	428	0	0	False	3-hydroxy-4-methoxyanisole
12929	428	0	0	False	levocetirizine_n-oxide_metabolite_(m3)
13074	428	0	0	False	hydrazinophthalazinone
234	429	13	4	True	terfenadine
273	429	16	1	True	tacrine
548	429	0	0	True	sulfametopyrazine
561	429	66	69	True	losartan
584	429	1	49	True	amprenavir
726	429	2	4	True	methylphenobarbital
788	429	1	38	True	repaglinide
921	429	23	64	True	benzylpenicillin
1051	429	19	67	True	domperidone
1700	429	0	0	False	balanol_analog_2
1779	429	0	0	False	8-oxo-dgmp
2014	429	0	0	False	(s)-2-(phosphonoxy)caproyl-l-leucyl-p-nitroanilide
2015	429	0	0	False	1-(5-tert-butyl-2-methyl-2h-pyrazol-3-yl)-3-(4-chloro-phenyl)-urea
2071	429	0	0	False	ru83876
2095	429	0	0	True	aminobenzoic_acid
2203	429	0	0	False	n-({4-[4-(2-methyl-1h-imidazol-1-yl)butyl]phenyl}acetyl)-l-seryl-n-(2-cyclohexylethyl)-l-lysinamide
2348	429	0	0	False	4-nitrophenyl-beta-d-galactoside
2535	429	0	0	False	2_4-dihydroxybenzoic_acid
2568	429	0	0	False	1-(2_6-dichlorophenyl)-5-(2_4-difluorophenyl)-7-piperazin-1-yl-3_4-dihydroquinazolin-2(1h)-one
2817	429	0	0	False	3-{[(5r_6r)-5-benzyl-6-hydroxy-2_4-bis(4-hydroxybenzyl)-3-oxo-1_2_4-triazepan-1-yl]sulfonyl}benzonitril
2916	429	0	0	False	p-aminophenyl-alpha-d-galactopyranoside
3317	429	0	0	False	2-hydroxy-tryptophan
3853	429	0	0	False	n-carbamoyl-l-aspartate
3955	429	0	0	False	adenosine_diphosphate_5-(beta-ethyl)-4-methyl-thiazole-2-carboxylic_acid
4019	429	0	0	False	3-fluoro-l-tyrosine
4034	429	0	0	False	aminoquinuride
4328	429	0	0	False	pyrimidine-4_6-dicarboxylic_acid_bis-(4-fluoro-3-methyl-benzylamide)
4699	429	0	0	False	daglutril
4724	429	0	0	False	dovitinib
4835	429	0	0	False	amelubant
4911	429	0	0	False	semaxanib
4960	429	5	0	False	tesaglitazar
5160	429	0	0	False	(2r)-n~4~-hydroxy-2-(3-hydroxybenzyl)-n~1~-[(1s_2r)-2-hydroxy-2_3-dihydro-1h-inden-1-yl]butanediamide
5242	429	0	0	False	2-(3-methylphenyl)-1h-indole-5-carboximidamide
5281	429	0	0	False	(5-(aminomethyl)-2h-spiro[benzofuran-3_4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone
5368	429	0	0	False	5-[(phenylsulfonyl)amino]-1_3_4-thiadiazole-2-sulfonamide
5568	429	0	0	False	n'-(5-chloro-1_3-benzodioxol-4-yl)-n-(3-methylsulfonylphenyl)pyrimidine-2_4-diamine
5729	429	0	0	False	s-23
5821	429	0	0	False	3-(2-aminoquinazolin-6-yl)-1-(3_3-dimethylindolin-6-yl)-4-methylpyridin-2(1h)-one
6247	429	0	0	False	1-(4-cyano-phenyl)-3-[2-(2_6-dichloro-phenyl)-1-imino-ethyl]-thiourea
6365	429	0	0	False	n-(2-aminoethyl)-p-chlorobenzamide
6456	429	0	0	False	5-chloro-n-((1r_2s)-2-(4-(2-oxopyridin-1(2h)-yl)benzamido)_cyclopentyl)thiophene-2-carboxamide
6662	429	0	0	False	2-[5_6-bis-(4-methoxy-phenyl)-furo[2_3-d]pyrimidin-4-ylamino]-ethanol
6667	429	0	0	False	6-(difluoro-phosphono-methyl)-naphthalene-2-carboxylic_acid
6718	429	0	0	False	n-(quinolin-8-yl)methanesulfonamide
6719	429	0	0	False	2-nonyl-4-quinolinol_1-oxide
6949	429	0	0	False	3-(4-nitrophenyl)-1h-pyrazole
7183	429	0	0	False	flubendazole
7370	429	0	0	False	rivoglitazone
7427	429	0	0	True	picosulfuric_acid
7468	429	0	0	True	procaine_benzylpenicillin
8066	429	0	0	False	pf-00610355
8476	429	0	0	False	azd-3839
8581	429	1	0	True	piritramide
8607	429	0	0	False	bi-671800
8833	429	0	0	False	gsk-1004723
8844	429	0	0	False	tecarfarin
8853	429	0	0	True	grapiprant
9090	429	0	0	False	saroglitazar
9170	429	0	0	False	suxibuzone
9216	429	0	0	False	sulfaisodimidine
9258	429	0	0	False	dibutylsuccinate
9380	429	0	0	False	deptropine
9958	429	0	0	True	cinnamyl_alcohol
10161	429	0	0	False	cinazepam
10164	429	0	0	False	pyrazolam
10199	429	0	0	False	lgd-6972
10291	429	0	0	False	serabelisib
10380	429	0	0	False	gs-9191
10393	429	0	0	False	tipranavir_c-14
10528	429	0	0	False	orm-13070_c-11
10549	429	0	0	False	slv-334
10657	429	0	0	False	desfesoterodine
10790	429	0	0	False	5-hydroxymethyl_tolterodine
10838	429	0	0	False	n-deisopropyl-fluvastatin
11261	429	0	0	False	3-(4-hydroxy-3-methoxyphenyl)-2-methylpropionic_acid
11483	429	0	0	False	p-chlorobenzene_sulfonamide
11763	429	0	0	False	lumiracoxib_metabolite_m21
11892	429	0	0	False	para-aminobenzoic_acid
12028	429	0	0	False	4'-oh-aceclofenac
12102	429	0	0	False	2-oh-doxepin
12433	429	0	0	False	pci-48303_(m26)
12476	429	0	0	False	small_fragment_metabolite_(atosiban)
12751	429	0	0	False	homovanillic_acid
12836	429	0	0	False	reduced_3-hydroxy-nabumetone
12915	429	0	0	False	3'-hydroxy-2'glutathione_conjugated_monoclofenac
13076	429	0	0	False	unnamed_hydralazine_metabolite
887	430	2	114	True	sulfamethoxazole
981	430	18	78	True	chlorpheniramine
1276	430	0	0	False	haloxazolam
1282	430	0	0	False	fenethylline
1385	430	0	0	False	cinolazepam
1934	430	0	0	False	n-acetyl-d-galactosamine_6-sulfate
2056	430	0	0	False	n-beta-d-glucopyranosylacetamide
2749	430	0	0	False	4-{2_4-bis[(3-nitrobenzoyl)amino]phenoxy}phthalic_acid
2844	430	0	0	False	(s)-hmg-coa
3130	430	0	0	False	n5-methylglutamine
3384	430	0	0	False	p-(2'-iodo-5'-thenoyl)hydrotropic_acid
3653	430	0	0	False	n_n-bis(4-chlorobenzyl)-1h-1_2_3_4-tetraazol-5-amine
4164	430	0	0	False	n-[4-(aminosulfonyl)benzyl]-5-(5-chloro-2_4-dihydroxyphenyl)-1h-pyrazole-4-carboxamide
4214	430	0	0	False	4-{3-chloro-4-[3-(2_4-dichloro-benzoyl)-ureido]-phenoxy}-butyric_acid
4329	430	0	0	False	pyrimidine-4_6-dicarboxylic_acid_bis-[(pyridin-3-ylmethyl)-amide]
4559	430	1	11	True	methsuximide
4578	430	6	0	True	pimavanserin
4622	430	0	0	False	vx-702
4660	430	0	0	False	mkc-1
4999	430	4	26	False	flupirtine
5069	430	0	0	False	aniline
5246	430	0	0	False	[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile
5264	430	0	0	False	n-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2h-pyran-4-carboxamide
5414	430	0	0	False	6-amino-benzo[de]isoquinoline-1_3-dione
5452	430	0	0	False	5-(4-chloro-5-phenyl-3-thienyl)-1_2_5-thiadiazolidin-3-one_1_1-dioxide
5456	430	0	0	False	neflamapimod
5668	430	0	0	False	4-(2_5-diamino-5-hydroxy-pentyl)-phenol
5701	430	0	0	False	n-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide
5779	430	0	0	False	5-[5_6-bis(methyloxy)-1h-benzimidazol-1-yl]-3-{[1-(2-chlorophenyl)ethyl]oxy}-2-thiophenecarboxamide
5833	430	0	0	False	n-[(2r_3s)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2_3_6-trimethylbenzenesulfonamide
5876	430	0	0	False	3-{[(4-methylphenyl)sulfonyl]amino}propyl_pyridin-4-ylcarbamate
5984	430	0	0	False	5-(dimethylamino)-2-naphthalenesulfonic_acid
6185	430	0	0	False	1-(hydroxymethyleneamino)-8-hydroxy-octane
6308	430	0	0	False	n-{2'-[(4-fluorophenyl)amino]-4_4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide
6819	430	0	0	False	2-[(2-methoxyethyl)amino]-4-(4-oxo-1_2_3_4-tetrahydro-9h-carbazol-9-yl)benzamide
6908	430	0	0	False	2-(1h-indol-3-yl)ethanamine
6953	430	0	0	False	2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1_3(2h)-dione
7439	430	0	0	True	lumacaftor
7553	430	0	0	True	dexchlorpheniramine_maleate
8051	430	0	0	False	bafetinib
8212	430	0	0	False	mk-0893
8322	430	0	0	False	eplivanserin
8332	430	0	0	False	zicronapine
8343	430	2	0	False	tivantinib
8350	430	0	0	False	azd-6280
8440	430	6	21	False	benzbromarone
8699	430	0	0	False	cp-609754
8898	430	0	0	False	mgb-bp-3
8902	430	0	0	False	mk-7622
8927	430	1	34	False	opipramol
9575	430	0	52	False	dexchlorpheniramine
9596	430	0	0	False	tibezonium_iodide
9661	430	0	0	False	sulfamethoxypyridazine
9799	430	6	0	True	estradiol_benzoate
10366	430	0	0	False	bifenthrin
10684	430	0	0	False	n-acetyldapsone
11258	430	0	0	False	3-(3-hydroxyphenyl)-2-methylpropionic_acid
11259	430	0	0	False	3-(3_4-dihydroxyphenyl)-2-methylpropionic_acid
11365	430	0	0	False	demonomethylchlorpromazine
11393	430	0	0	False	gemcitabine_diphosphate
11698	430	0	0	False	ticlopidine_lactam_analog_(m8)
11730	430	0	0	False	zolpidem_carboxylic_acid_derivative_(m2)
11857	430	0	0	False	gs-461203
12601	430	0	0	False	glasdegib_m4
12798	430	0	0	False	tamsulosin_am-1_metabolite
12984	430	0	0	False	aniline
13136	430	0	0	False	acalabrutinib_m23_metabolite_(acp-5134)
13137	430	0	0	False	acalabrutinib_m45_metabolite
366	431	55	112	True	chlorpromazine
715	431	7	0	False	progabide
1375	431	0	1	True	sulfamethazine
1744	431	0	0	False	n-acetyl-l-arginine
1973	431	0	0	False	1_2-dihydroxybenzene
2271	431	0	0	False	3'-o-acetylthymidine-5'-diphosphate
2323	431	0	0	False	2-deoxy-glucose-6-phosphate
2546	431	0	0	False	das869
2832	431	0	0	False	n_o-didansyl-l-tyrosine
2869	431	0	0	False	phosphoric_acid_mono-[3-fluoro-5-(5-methyl-2_4-dioxo-3_4-dihydro-2h-pyrimidin-1-yl)-tetrahyro-furan-2-ylmethyl]_ester
2907	431	0	0	False	3'-deoxy-3'-aminothymidine_monophosphate
2913	431	0	0	False	3'_5'-dinitro-n-acetyl-l-thyronine
3860	431	0	0	False	7n-methyl-8-hydroguanosine-5'-monophosphate
3865	431	0	0	False	(10r)-10-formyl-5_8_10-trideazafolic_acid
3932	431	2	0	False	inosine
4602	431	1	0	False	cp-122721
4642	431	0	0	False	alpha-pyrrolidinononanophenone
4661	431	0	0	False	apilimod
4798	431	0	0	False	zosuquidar
4819	431	2	84	True	asenapine
5227	431	0	0	False	(2s)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1_3-oxazol-4-yl]methyl}-1h-indol-5-yl)-2-ethoxypropanoic_acid
5324	431	0	0	False	9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo[3_4-c]carbazole-1_3(2h_6h)-dione
5332	431	0	0	False	2-(1_3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1_3_4-oxadiazole
5383	431	0	0	False	5-(2_3-dichlorophenyl)-n-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1_5-a]pyrimidin-7-amine
5658	431	0	0	False	4-[4-amino-6-(2_6-dichloro-phenoxy)-[1_3_5]triazin-2-ylamino]-benzonitrile
6002	431	0	0	False	6-amino-4-[2-(4-methoxyphenyl)ethyl]-1_7-dihydro-8h-imidazo[4_5-g]quinazolin-8-one
6300	431	0	0	False	3-methoxy-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine
6337	431	0	0	False	1-(1-methylethyl)-3-quinolin-6-yl-1h-pyrazolo[3_4-d]pyrimidin-4-amine
6515	431	0	0	False	(2s)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1_3-thiazolidin-4-one
6642	431	0	0	False	s-(4-bromobenzyl)cysteine
6748	431	0	0	False	(1s_4s_5s)-1_4_5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic_acid
6875	431	0	0	False	4-(2_2_2-trifluoroethyl)-l-phenylalanine
6912	431	0	0	False	2-(4-(2-((3-(5-(pyridin-2-ylthio)thiazol-2-yl)ureido)methyl)-1h-imidazol-4-yl)phenoxy)acetic_acid
7023	431	0	0	False	1-[(2s)-4-(5-phenyl-1h-pyrazolo[3_4-b]pyridin-4-yl)morpholin-2-yl]methanamine
7154	431	0	0	True	isoconazole
7405	431	2	12	True	manidipine
7809	431	0	0	True	imidocarb
9074	431	0	0	False	ct-2584
9287	431	0	0	False	pheneturide
9365	431	0	0	False	tioclomarol
9421	431	0	0	False	clefamide
9549	431	0	0	False	bunaftine
9569	431	0	0	False	bekanamycin
9652	431	0	0	False	monoxerutin
9671	431	0	19	True	acemetacin
10365	431	0	0	False	abt-639
10465	431	0	0	False	cnv-2197944
10526	431	0	0	False	tefinostat
10989	431	0	0	False	4'-hydroxytrazodone
11065	431	0	0	False	inosine
11576	431	0	0	False	catechol
11711	431	0	0	False	donepezil_metabolite_m3
11864	431	0	0	False	vortioxetine_metabolite_2
12029	431	0	0	False	5-oh-aceclofenac
12269	431	0	0	False	p-oh-gavestinel
12524	431	0	0	False	sch_57871
12770	431	0	0	False	aripiprazole_unnamed_metabolite_4
13096	431	0	0	False	phenol-dronedarone
251	432	12	31	True	sulfadiazine
474	432	19	81	True	doxazosin
610	432	8	1	True	thiabendazole
824	432	16	25	True	felbamate
825	432	0	58	True	fexofenadine
898	432	57	117	True	ketoconazole
1074	432	0	0	False	ridogrel
1101	432	46	86	True	levodopa
1174	432	1	0	True	spirapril
1404	432	0	0	True	acepromazine
1682	432	0	0	False	1-o-[o-nitrophenyl]-beta-d-galactopyranose
2215	432	0	0	False	4-[4-(1-amino-1-methylethyl)phenyl]-5-chloro-n-[4-(2-morpholin-4-ylethyl)phenyl]pyrimidin-2-amine
2235	432	0	0	False	2-hydroxy-5-({1-[(2-naphthyloxy)methyl]-3-oxoprop-1-enyl}amino)tyrosine
2414	432	0	0	False	6-[n-(1-isopropyl-1_2_3_4-tetrahydro-7-isoquinolinyl)carbamyl]-2-naphthalenecarboxamidine
2565	432	0	0	False	n-allyl-aniline
2715	432	0	0	False	4-(2-thienyl)-1-(4-methylbenzyl)-1h-imidazole
2721	432	0	0	False	oxidized_acetyl_dithranol
2790	432	0	0	False	2-chlorophenol
2988	432	0	0	False	6-hydro-1-methyladenosine-5'-monophosphate
3042	432	0	0	False	5'-o-(n-(alanyl)sulfamoyl)adenosine
3434	432	0	0	False	1-(2-chlorophenyl)-3_5-dimethyl-1h-pyrazole-4-carboxylic_acid_ethyl_ester
3684	432	0	0	False	5_6-dihydro-benzo[h]cinnolin-3-ylamine
3716	432	0	0	False	n-heptylformamide
3792	432	0	0	False	n'-(pyrrolidino[2_1-b]isoindolin-4-on-8-yl)-n-(pyridin-2-yl)urea
4041	432	0	0	False	3_4-dichloroisocoumarin
4674	432	0	0	False	levoketoconazole
4871	432	0	0	False	sgx-523
4997	432	0	0	False	aplindore
5000	432	1	0	False	taranabant
5145	432	0	0	True	sulfameter
5299	432	0	0	False	(2s)-2-(1h-indol-3-yl)pentanoic_acid
5457	432	0	0	False	3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic_acid
5474	432	0	0	False	(4z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1_3(2h_4h)-dione
5590	432	0	0	False	3-(1_1-dioxido-4h-1_2_4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1h)-one
5795	432	0	0	False	{4-amino-2-[(4-methoxyphenyl)amino]-1_3-thiazol-5-yl}(4-methoxyphenyl)methanone
5818	432	0	0	False	4-(4-methyl-1_3-dioxo-1_3-dihydro-2h-isoindol-2-yl)benzonitrile
5942	432	0	0	False	2-decyl-5_6-dimethoxy-3-methylcyclohexa-2_5-diene-1_4-dione
6184	432	0	0	False	(2s)-hydroxy(4-hydroxyphenyl)ethanoic_acid
6427	432	0	0	False	6-(2_6-dimethoxyphenyl)pyrido[2_3-d]pyrimidine-2_7-diamine
6503	432	0	0	False	n-{(1s_2r)-1-benzyl-3-[(cyclopropylmethyl)(2-furylsulfonyl)amino]-2-hydroxypropyl}-n'-methylsuccinamide
6780	432	0	0	False	(2s)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2_3-dihydro-4h-chromen-4-one
6844	432	0	0	False	6-{[6-(1-methyl-1h-pyrazol-4-yl)[1_2_4]triazolo[4_3-b]pyridazin-3-yl]sulfanyl}quinoline
7109	432	3	117	True	vemurafenib
7552	432	0	0	True	thonzonium
7928	432	0	0	True	acalabrutinib
7931	432	0	0	False	raxatrigine
8021	432	0	0	False	omecamtiv_mecarbil
8187	432	0	0	False	pf-04457845
8744	432	0	0	False	gusperimus
8752	432	0	0	False	omipalisib
8769	432	0	0	False	ro-5028442
8862	432	0	0	False	etalocib
8982	432	0	0	False	deoxyspergualin
9339	432	0	0	False	thiazinam
9469	432	0	0	False	sequifenadine
9682	432	0	0	False	dimethoxanate
10358	432	0	0	False	ly-2881835
10693	432	0	0	False	afn911
10854	432	0	0	False	3'-hydroxygenistein
10865	432	0	0	False	n-desmethylmirtazapine
10977	432	0	0	False	fexofenadine
11404	432	0	0	False	(e)-2-hydroxydoxepin
11553	432	0	0	False	irbesartan_derivative_m6
11594	432	0	0	False	2_3-dihydroxycarbamazepine
11848	432	0	0	False	dapagliflozin_3-o-glucuronide
12020	432	0	0	False	2-cyclohexyl-2-phenylglycolic_acid
12222	432	0	0	False	o-cresol
12468	432	0	0	False	glucuronide_conjugate_(oxyquinoline)
12730	432	0	0	False	gentisic_acid
12894	432	0	0	False	2-oh-iminoistilbene
12895	432	0	0	False	iminoquinone
12896	432	0	0	False	carbamazepine-o-quinione
12898	432	0	0	False	demethylated_metabolite__doxazosin
12899	432	0	0	False	hydroxylated_metabolite__doxazosin
12909	432	0	0	False	5-hydroxy-4-glutathione_conjugated_diclofenac
12931	432	0	0	False	levocetirizine_taurine_conjugated_metabolite_(m8)
140	433	13	128	True	ziprasidone
404	433	20	49	True	trandolapril
497	433	4	2	True	amodiaquine
563	433	2	0	True	moricizine
632	433	15	0	True	tranylcypromine
910	433	32	78	True	fenofibrate
1233	433	8	0	False	aprindine
1272	433	0	0	False	4-methoxyamphetamine
1739	433	0	0	False	para-iodo-d-phenylalanine_hydroxamic_acid
1855	433	0	0	False	dmp450
2127	433	0	0	False	o-(n-acetyl-alpha-d-galactosaminyl)-l-serine
2181	433	0	0	False	5-(6-amino-9h-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl_dihydrogen_phosphate
2607	433	0	0	False	4-(2_4-dimethyl-1_3-thiazol-5-yl)-n-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
2746	433	0	0	False	3-decyl-2_5-dioxo-4-hydroxy-3-pyrroline
3342	433	0	0	False	s-ethyl-n-phenyl-isothiourea
3567	433	0	0	False	3_4-dihydroxybenzoic_acid
3813	433	0	0	False	3-(3_4-dimethoxyphenyl)propionic_acid
3935	433	0	0	False	sb220025
4438	433	2	0	False	osanetant
4619	433	0	0	False	opc-28326
4680	433	0	0	False	sivifene
4791	433	0	0	False	talotrexin
5198	433	0	0	False	1-[(2r)-2-aminobutanoyl]-n-(3-chlorobenzyl)-l-prolinamide
5267	433	0	0	False	2-anilino-6-cyclohexylmethoxypurine
5514	433	0	0	False	5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile
5539	433	0	0	False	n-{[(2s_3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-alanine
5567	433	0	0	False	3-({4-[(5-chloro-1_3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide
5802	433	0	0	False	5-(5-chloro-2_4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)-1h-pyrazole-3-carboxamide
6331	433	0	0	False	4-(6-hydroxy-1h-indazol-3-yl)benzene-1_3-diol
6559	433	0	0	False	(2r_3r_4r_5s)-2-(hydroxymethyl)-1-nonylpiperidine-3_4_5-triol
6569	433	0	0	False	2-(4-hydroxy-3-nitrophenyl)acetic_acid
6691	433	0	0	False	[5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone
6758	433	0	0	False	4-({4-[(6-chloro-1-benzothien-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide
6872	433	0	0	False	2_2_2-trifluoro-1-{5-[(3-phenyl-5_6-dihydroimidazo[1_2-a]pyrazin-7(8h)-yl)carbonyl]thiophen-2-yl}ethane-1_1-diol
7134	433	0	0	False	aleglitazar
7277	433	0	0	True	amylocaine
7688	433	0	0	False	ascorbyl_glucoside
8033	433	2	0	False	ruboxistaurin
8531	433	0	0	False	cc-401
8543	433	0	0	False	derenofylline
8613	433	0	0	True	oxetacaine
8682	433	27	0	False	apocynin
8763	433	0	0	False	nerispirdine
8985	433	4	0	False	acteoside
9305	433	0	0	False	melitracen
9353	433	1	0	False	endralazine
9377	433	0	0	False	oxetorone
9397	433	0	0	False	sulfametomidine
9463	433	0	0	False	morclofone
9467	433	0	0	False	zipeprol
9622	433	6	0	False	camostat
9706	433	0	0	False	oxomemazine
10232	433	0	0	False	centanafadine
10265	433	0	0	False	vibegron
10439	433	0	0	False	abt-288
10566	433	0	0	False	sar-125844
10579	433	0	0	False	glpg-0974
10857	433	0	0	False	2-hydroxyimipramine
11262	433	0	0	False	3-o-methyl-a-methyldopa
11302	433	0	0	False	4r-hydroxy_solifenacin
11327	433	0	0	False	8-hydroxyamoxapine
11381	433	0	0	False	doxepin_n-oxide
11601	433	0	0	False	2-propylglutaric_acid
12030	433	0	0	False	3-hydroxyacetaminophen
12610	433	0	0	False	torasemide_m2
12748	433	0	0	False	levodopa_methylated_metabolite
13053	433	0	0	False	quetiapine_sulfoxide
13077	433	0	0	False	3-methyl-s-triazolophthalazine
13080	433	0	0	False	triazolophthalazine
13142	433	0	0	False	acalabrutinib_m25_metabolite
523	434	0	0	True	butoconazole
546	434	1	24	True	trimethobenzamide
809	434	12	53	True	maprotiline
968	434	16	28	True	pimozide
972	434	30	307	True	sertraline
1091	434	38	136	True	quetiapine
1144	434	2	0	False	bevantolol
1226	434	2	0	False	nitroxoline
1228	434	2	2	True	aminophenazone
1588	434	0	0	False	nz-(dicarboxymethyl)lysine
1784	434	0	0	False	(1r_2r_3s_4r_6s)-3_4_6-trihydroxy-5-{[(s)-hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}-1_2-cyclohexanediyl_bis[dihydrogen_(phosphate)]
2050	434	0	0	False	uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine-d-glutamate
2502	434	0	0	False	a-98881
2589	434	0	0	False	methylthioinosine
3229	434	1	0	True	oxyphenbutazone
3795	434	0	0	False	n2-(carboxyethyl)-l-arginine
3869	434	0	0	False	methylumbelliferyl_chitotriose
4004	434	0	0	False	adenylosuccinic_acid
4184	434	0	0	False	inhibitor_q8467_of_dupont_merck
4216	434	0	0	False	5-{3-[3-(2_4-dichloro-benzoyl)-ureido]-2-methyl-phenoxy}-pentanoic_acid
4395	434	9	0	False	zomepirac
4409	434	5	0	True	fluspirilene
4490	434	8	0	False	tipifarnib
4886	434	0	0	False	sapacitabine
4979	434	0	0	False	triphendiol
5228	434	0	0	False	1-ethyl-n-(phenylmethyl)-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3_4-b]pyridine-5-carboxamide
5272	434	0	0	False	2-chloro-5-(3-chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3h-imidazol-4-yl)-_methoxymethyl]-nicotinonitrile
5290	434	0	0	False	n-{2-[(4'-cyano-1_1'-biphenyl-4-yl)oxy]ethyl}-n'-hydroxy-n-methylurea
5388	434	0	0	False	(2s)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic_acid
5445	434	0	0	False	{4-[2_2-bis(5-methyl-1_2_4-oxadiazol-3-yl)-3-phenylpropyl]phenyl}sulfamic_acid
5507	434	0	0	False	3-cyclohexyl-d-alanyl-n-(3-chlorobenzyl)-l-prolinamide
5634	434	0	0	False	6-(3-bromo-2-naphthyl)-1_3_5-triazine-2_4-diamine
6234	434	0	0	False	isoquinoline-5-sulfonic_acid_(2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide
6252	434	0	0	False	[4-({4-[(5-cyclopropyl-1h-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile
6632	434	0	0	False	2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1_5-a][1_3_5]triazine-8-carbonitrile
6665	434	0	0	False	2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]isoxazol-5(2h)-one
6666	434	0	0	False	4-{[(e)-(5-oxo-2-phenyl-1_3-oxazol-4(5h)-ylidene)methyl]amino}butanoic_acid
7012	434	0	0	False	(3s_6s)-3_6-bis(4-hydroxybenzyl)piperazine-2_5-dione
7204	434	0	0	False	dimetacrine
7318	434	0	0	True	sonidegib
7325	434	0	0	True	flutemetamol_(18f)
7350	434	0	0	False	thienylfentanyl
7391	434	1	0	False	blonanserin
7804	434	1	0	True	dihydrostreptomycin
8357	434	1	0	False	org-25935
8370	434	0	0	False	iguratimod
8453	434	0	0	False	n-acetylsulfanilyl_chloride
8620	434	0	0	False	lecozotan
8691	434	0	0	False	3_5-diiodothyropropionic_acid
8708	434	0	0	False	l-deprenyl-d2_c-11
8787	434	0	0	False	akn-028
9116	434	1	0	True	esculin
9428	434	5	0	True	metergoline
9457	434	0	0	False	trifluperidol
9482	434	0	0	False	succinylsulfathiazole
9528	434	1	0	True	ethyl_hydroxybenzoate
9777	434	0	0	False	anle138b
9949	434	0	0	True	alpha-amyl_cinnamaldehyde
10122	434	0	0	False	bisoxatin_acetate
10368	434	0	0	False	flutemetamol
10674	434	0	0	False	n-desmethylaminopyrine
10682	434	0	0	False	e-3179
11364	434	0	0	False	dedimethylchlorpromazine
11440	434	0	0	False	n-dedimethylchlorpromazine
11561	434	0	0	False	bortezomib_metabolite_m8
11651	434	0	0	False	6-methylmercaptopurine-riboside
11962	434	0	0	False	2-amino-2-phenylbutan-1-ol
12089	434	0	0	False	7-hydroxycoumarin
12284	434	0	0	False	dehydronicardipine
12333	434	0	0	False	u7_semaglutide
12596	434	0	0	False	glasdegib_m3
13138	434	0	0	False	acalabrutinib_m24_metabolite
107	435	1	0	False	remikiren
185	435	6	33	True	etomidate
275	435	5	32	True	triamterene
396	435	1	0	True	triflupromazine
634	435	0	0	True	ethotoin
650	435	33	74	True	alprostadil
718	435	27	80	True	dobutamine
747	435	0	0	True	suprofen
965	435	8	176	True	leflunomide
1003	435	71	111	True	carvedilol
1105	435	8	34	True	chlorprothixene
1430	435	0	0	False	methyl_beta-d-glucopyranoside
1738	435	0	0	False	methyl_alpha-d-mannoside
1789	435	0	0	False	n-(3-cyclopropyl(5_6_7_8_9_10-hexahydro-2-oxo-2h-cycloocta[b]pyran-3-yl)methyl)phenylbenzensulfonamide
1853	435	0	0	False	methyl_alpha-galactoside
2330	435	0	0	False	decylamine-n_n-dimethyl-n-oxide
2463	435	0	0	False	4-methyl-umbelliferyl-n-acetyl-chitobiose
2677	435	0	0	False	imino-tryptophan
2977	435	0	0	False	4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide
3122	435	0	0	False	formycin-5'-monophosphate
3380	435	0	0	False	methyl-[4-(4-piperidine-1-ylmethyl-phenyl)-cyclohexyl]-carbaminic_acid-(4-chlorophenyl)-ester
3413	435	0	0	False	phenacetin
3429	435	0	0	False	deoxyuridine_monophosphate
3662	435	0	0	False	methyl_beta-galactoside
4018	435	0	0	False	naphthyridine_inhibitor
4690	435	0	0	False	varespladib_methyl
4712	435	0	0	False	opc-51803
4836	435	2	0	True	arzoxifene
5091	435	13	0	False	ginsenoside_rg1
5476	435	0	0	False	5-ethyl-3-methyl-1_5-dihydro-4h-pyrazolo[4_3-c]quinolin-4-one
5556	435	0	0	False	7-carboxy-5-hydroxy-12_13-dihydro-6h-indolo[2_3-a]pyrrolo[3_4-c]carbazole
5571	435	0	0	False	3-({4-[(5-chloro-1_3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
5887	435	0	0	False	n-[2-(5-methyl-4h-1_2_4-triazol-3-yl)phenyl]-7h-pyrrolo[2_3-d]pyrimidin-4-amine
6009	435	0	0	False	3-ethyl-2-(4-hydroxyphenyl)-2h-indazol-5-ol
6348	435	0	0	False	2-(1h-pyrazol-3-yl)-1h-benzimidazole
6612	435	0	0	False	6-(2_6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2_3-d]pyrimidin-7(8h)-one
6704	435	0	0	False	puromycin
6749	435	0	0	False	efaproxiral
6805	435	0	0	False	1-[2-hydroxy-3-(4-cyclohexyl-phenoxy)-propyl]-4-(2-pyridyl)-piperazine
7001	435	0	0	False	1-[4-(aminomethyl)benzoyl]-5'-fluoro-1'h-spiro[piperidine-4_2'-quinazolin]-4'-amine
7017	435	0	0	False	2-(4-methoxyphenyl)acetamide
7203	435	8	31	True	diosmin
7243	435	0	0	True	netupitant
7304	435	0	0	True	brexpiprazole
7606	435	1	0	True	anthralin
7652	435	0	0	False	diosmetin
7681	435	0	2	True	glycol_salicylate
7773	435	0	0	True	sulfachlorpyridazine
7826	435	7	0	True	toluene
7876	435	0	0	True	tafamidis
7888	435	0	0	False	qav-680
8007	435	0	0	False	tivozanib
8130	435	0	0	False	azd-1981
8307	435	1	0	False	napabucasin
8313	435	17	0	False	sarpogrelate
8391	435	0	0	False	radiprodil
8428	435	0	0	False	dasotraline
8432	435	0	0	False	gi-181771x
8643	435	0	0	False	camicinal
8776	435	0	0	False	daporinad
8783	435	0	0	False	amuvatinib
8834	435	0	0	True	trifarotene
8953	435	1	0	False	leukotriene_b4
9003	435	0	0	False	ly-2300559
9080	435	0	0	False	x-396
9542	435	1	0	False	loprazolam
9884	435	0	0	False	desmethylsertraline
10129	435	0	0	False	loperamide_oxide
10162	435	0	0	False	clonazolam
10165	435	0	0	False	bentazepam
10270	435	0	0	False	jhu-75528_c-11
10907	435	0	0	False	2-hydroxydesipramine
10925	435	0	0	False	norsertraline
10947	435	0	0	False	n-desalkyl_delavirdine
10950	435	0	0	False	mono-isopropyl-disopyramide
11217	435	0	0	False	ritalinic_acid
11326	435	0	0	False	7-hydroxyamoxapine
11350	435	0	0	False	10_11-dihydroxycarbamazepine
11352	435	0	0	False	carboxy-ibuprofen
11543	435	0	0	False	dapsone_mercaptal_intermediate
11731	435	0	0	False	zolpidem_carboxylic_acid_derivative_(m1)
11817	435	0	0	False	indapamide_metabolite_m3
12063	435	0	0	False	dehydro-aripiprazole
12346	435	0	0	False	m-8
12402	435	0	0	False	dehydrobenidipine
12495	435	0	0	False	prostaglandin_e1
12636	435	0	0	False	diiodothyronine
12654	435	0	0	False	α-phenyl-2-piperidine_acetic_acid_(ritalinic_acid)
12687	435	0	0	False	5-methoxyindole-3-carboxylic_acid
12910	435	0	0	False	5-hydroxy-6-glutathione_conjugated_diclofenac
12957	435	0	0	False	labetalol_3-hydroxylated_metabolite_(vi)
12982	435	0	0	False	5-oh_pap
13055	435	0	0	False	reduced_fenofibric_acid
316	436	4	0	True	triprolidine
416	436	1	1	True	mephenytoin
1108	436	28	111	True	clomipramine
1249	436	0	0	False	indopan
1457	436	4	0	False	2_3-dihydroxy-benzoic_acid
1533	436	0	0	False	3_4-dihydroxy-1-methylquinolin-2(1h)-one
1623	436	14	0	False	kaempherol
1870	436	0	0	False	cp-271485
1878	436	0	0	False	4-carboxycinnamic_acid
2438	436	0	0	False	ethylmercurithiosalicylic_acid
2728	436	0	0	False	1-(5-tert-butyl-2-p-tolyl-2h-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea
3493	436	0	0	False	meta-nitro-tyrosine
3629	436	0	0	False	2'-(4-dimethylaminophenyl)-5-(4-methyl-1-piperazinyl)-2_5'-bi-benzimidazole
3823	436	0	0	False	1-deaza-adenosine
4083	436	0	0	False	wrr-204
4758	436	0	0	False	bradanicline
4864	436	0	0	False	hydronidone
5164	436	0	0	False	d-phenylalanyl-n-[(1s)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-l-prolinamide
5171	436	0	0	False	1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3_4'-piperidin]-5-yl]methanamine
5255	436	0	0	False	n-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-l-prolinamide
5256	436	0	0	False	4-(6-hydroxy-benzo[d]isoxazol-3-yl)benzene-1_3-diol
5257	436	0	0	False	4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3h-benzimidazol-5-yl]oxy]-n-methyl-pyridine-2-carboxamide
5298	436	0	0	False	(2s)-2-(1h-indol-3-yl)hexanoic_acid
5522	436	0	0	False	6-[2-(1h-indol-6-yl)ethyl]pyridin-2-amine
5647	436	0	0	False	alpha-(2_6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide
5812	436	0	0	False	n-({(3r_4r)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-n-(2-methylpropyl)benzenesulfonamide
5913	436	0	0	False	decane-1-thiol
6129	436	0	0	False	(e)-[4-(3_5-difluorophenyl)-3h-pyrrolo[2_3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
6229	436	0	0	False	2-fluoro-4-[4-(4-fluorophenyl)-1h-pyrazol-3-yl]pyridine
6284	436	0	0	False	2-(carboxymethyl)-1-oxo-1_2-dihydronaphtho[1_2-d]isothiazole-4-carboxylic_acid_3_3-dioxide
6379	436	0	0	False	8-(2-chlorophenylamino)-2-(2_6-difluorophenylamino)-9-ethyl-9h-purine-1_7-diium
6671	436	0	0	False	(2e)-2-({(2s)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic_acid
6919	436	0	0	False	({3-[1-(4-hydroxy-2-oxo-2h-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic_acid_tert-butyl_ester
7384	436	0	0	False	droxicam
7794	436	0	0	True	sarafloxacin
8126	436	0	0	False	tasisulam
8291	436	0	0	False	gsk-256066
8369	436	0	0	False	krn-7000
8571	436	4	26	False	piribedil
8654	436	0	0	False	tradipitant
8938	436	1	14	False	lactitol
8955	436	0	0	False	ccx-354
8997	436	0	0	False	carbendazim
9979	436	0	0	False	trandolaprilat
9980	436	0	0	False	moexiprilat
10104	436	0	0	False	triciribine_phosphate
10322	436	0	0	False	azd-6482
10557	436	0	0	False	ly-2623091
10594	436	0	0	False	giripladib
10597	436	0	0	False	m-2698
10649	436	0	0	False	cilazaprilat
10881	436	0	0	False	2-phenyl-1_3-propanediol_monocarbamate
10901	436	0	0	False	2-hydroxymethylolanzapine
11515	436	0	0	False	trandolaprilat
11630	436	0	0	False	cilazaprilat
11632	436	0	0	False	moexiprilat
11700	436	0	0	False	haloperidol_reduced_pyridinium_ion_derivative
11880	436	0	0	False	10-hydroxycarbazepine_glucuronide
11881	436	0	0	False	eslicarbazepine-o-glucuronide
12035	436	0	0	False	4-(dimethylamino)-5-methyl-2-phenyl-1_2-dihydro-3h-pyrazol-3-one
12141	436	0	0	False	5-chloro-n-ethyl-4_6-dihydroxy-1-methyl-2-oxo-n-phenyl-1_2-dihydroquinoline-3-carboxamide
12250	436	0	0	False	zotepine_-oxide
12455	436	0	0	False	netarsudil-m1
12843	436	0	0	False	4-(6-hydroxy-2-naphthyl)-_butan-2-ol
264	437	4	16	True	thiethylperazine
573	437	3	62	True	flurazepam
651	437	1	4	True	clidinium
763	437	2	0	False	omapatrilat
764	437	10	51	True	bumetanide
1038	437	5	43	True	moclobemide
1374	437	0	0	True	sulfamerazine
1484	437	0	0	False	2-(3_4-dihydroxyphenyl)acetic_acid
1911	437	0	0	False	5'-o-(n-ethyl-sulfamoyl)adenosine
2273	437	0	0	False	6-[n-(4-ethyl-1_2_3_4-tetrahydro-6-isoquinolinyl)carbamyl]-2-naphthalenecarboxamidine
2537	437	0	0	False	[(2-ethoxy-1-naphthoyl)amino]methylboronic_acid
2789	437	0	0	False	2-acetylamino-2-deoxy-b-d-allopyranose
2968	437	0	0	False	phenylphosphate
3213	437	0	0	False	alpha-n-acetyl-d-galactosamine
3373	437	0	0	False	n-acetyl-alpha-d-glucosamine
3389	437	0	0	False	n-{[(2-methyl-2-propanyl)oxy]carbonyl}-l-alanyl-l-alaninamide
3430	437	0	0	False	lysine_nz-carboxylic_acid
3681	437	5	0	False	para-coumaric_acid
4258	437	0	0	False	2-{5-[3-(6-benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-yl}ethanoic_acid
4287	437	0	0	False	(1r_2r_3s_4r_6s)-4_6-diamino-2-{[3-o-(2_6-diamino-2_6-dideoxy-beta-l-idopyranosyl)-2-o-{2-[(piperidin-3-ylmethyl)amino]ethyl}-beta-d-ribofuranosyl]oxy}-3-hydroxycyclohexyl_2-amino-2-deoxy-alpha-d-glucopyranoside
4393	437	1	0	True	thenalidine
4434	437	8	153	True	nilotinib
4714	437	0	0	False	tasquinimod
5012	437	2	0	False	perifosine
5266	437	0	0	False	1-[(2r)-2-aminobutanoyl]-n-(4-carbamimidoylbenzyl)-l-prolinamide
5369	437	0	0	False	3_5-dimethyl-1-phenyl-1h-pyrazole-4-carboxylic_acid_ethyl_ester
5970	437	0	0	False	2_3-dimethyl-1_4-naphthoquinone
5993	437	0	0	False	2_5-dichloro-n-(3_5-dibromo-4-hydroxyphenyl)benzamide
6239	437	0	0	False	n-[1h-indol-3-yl-acetyl]valine_acid
6270	437	0	0	False	+--methyl_4-(aminoiminomethyl)-beta-[3-_inh_(aminoimino)phenyl]benzene_pentanoate
6374	437	0	0	False	3-fluoro-5-morpholin-4-yl-n-[3-(2-pyridin-4-ylethyl)-1h-indol-5-yl]benzamide
6580	437	0	0	False	3-[(3-nitrophenyl)sulfamoyl]-2-thiophenecarboxylic_acid
6825	437	0	0	False	(2e)-n-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
7082	437	0	2	False	tyramine
7393	437	5	30	True	zotepine
7444	437	0	0	False	morniflumate
7453	437	1	0	True	ombitasvir
7699	437	0	0	True	selexipag
7848	437	0	0	False	isatoic_anhydride
9053	437	0	0	True	macimorelin
9753	437	0	0	False	2-methoxy-6-{(e)-[(4-methylphenyl)imino]methyl}phenol
9781	437	0	0	True	netarsudil
10095	437	0	0	True	oxyphenisatin_acetate
10169	437	0	70	False	dabigatran
10189	437	0	0	False	rivoceranib
10371	437	0	0	False	inarigivir_soproxil
10531	437	0	0	False	abivertinib
10625	437	0	0	False	mexazolam
10755	437	0	0	False	clozapine_n-oxide
11299	437	0	0	False	4'-hydroxyclobazam
12046	437	0	0	False	7-hete
12048	437	0	0	False	13-hete
12139	437	0	0	False	5-chloro-n-ethyl-4_8-dihydroxy-1-methyl-2-oxo-n-phenyl-1_2-dihydroquinoline-3-carboxamide
12334	437	0	0	False	u6_semaglutide
12560	437	0	0	False	moclobemide_m1
12755	437	0	0	False	3_4-dihydroxyphenylacetic_acid_(dopac)
12841	437	0	0	False	4-(6-methoxy-2-naphthyl)-_butan-2-ol
128	438	7	20	True	reboxetine
226	438	53	265	True	olanzapine
433	438	25	20	True	zafirlukast
990	438	0	0	True	proflavine
1136	438	3	62	True	nelarabine
1363	438	0	0	False	ohmefentanyl
1447	438	0	0	False	trans-o-hydroxy-alpha-methyl_cinnamate
1720	438	0	0	False	cytidine_3'-monophosphate
2228	438	0	0	False	[3-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-propyl-]-phosphonic_acid
2396	438	0	0	False	3-methylphenylalanine
2472	438	0	0	False	7-alpha-d-ribofuranosyl-2-aminopurine-5'-phosphate
2478	438	0	0	False	2_5-anhydroglucitol-1_6-biphosphate
2617	438	1	13	True	piretanide
2699	438	0	0	False	adenosine-5'-(dithio)phosphate
2804	438	0	0	False	benzamidine
3047	438	0	0	False	5-chloro-1h-indole-2-carboxylic_acid_[1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1yl)-2-oxoethyl]amide
3106	438	0	0	False	n-benzyl-3-(alpha-d-galactopyranosyloxy)benzamide
3240	438	0	0	False	n-[2-(1h-indol-5-yl)-butyl]-4-sulfamoyl-benzamide
3244	438	0	0	False	5-deoxyflavanone
3307	438	0	0	False	6-oxouridine_5'-phosphate
3983	438	0	0	False	bishydroxy[2h-1-benzopyran-2-one_1_2-benzopyrone]
4002	438	0	0	False	r-2-{[4'-methoxy-(1_1'-biphenyl)-4-yl]-sulfonyl}-amino-6-methoxy-hex-4-ynoic_acid
4084	438	0	0	False	sp-722
4180	438	0	0	False	5-aminoisoquinoline
4240	438	0	0	False	triazolopyrimidine
4346	438	0	0	False	ethyl_(1e)-2-phenyl-n-(sulfooxy)ethanimidothioate
4600	438	0	0	False	cardarine
4648	438	2	0	False	tg100-115
4750	438	0	0	False	trofinetide
4756	438	0	0	False	tapinarof
5174	438	0	0	False	4-[(3s)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1h-benzimidazol-2-yl)-6-chloroquinolin-2(1h)-one
5181	438	0	0	False	2-(2-chloropyridin-4-yl)-4-methyl-1h-isoindole-1_3(2h)-dione
5283	438	0	0	False	5-(5-chloro-2_4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide
5378	438	0	0	False	3-(indol-3-yl)_lactate
5563	438	0	0	False	7-pyridin-2-yl-n-(3_4_5-trimethoxyphenyl)-7h-pyrrolo[2_3-d]pyrimidin-2-amine
5607	438	0	0	False	4-(2-amino-1_3-thiazol-4-yl)phenol
5714	438	0	0	False	4-[(3-chloro-4-{[(2r)-3_3_3-trifluoro-2-hydroxy-2-methylpropanoyl]amino}phenyl)sulfonyl]-n_n-dimethylbenzamide
6029	438	0	0	False	n-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
6181	438	0	0	False	phenyl[1-(n-succinylamino)pentyl]phosphonate
6416	438	0	0	False	4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
6676	438	0	0	False	[n-(2_4-diaminopteridin-6-yl)-methyl]-dibenz[b_f]azepine
6696	438	0	0	False	n-({(2s)-1-[(3r)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
6811	438	0	0	False	(3r)-methylcarbamoyl-7-sulfoamino-3_4-dihydro-1h-isoquinoline-2-carboxylic_acid_benzyl_ester
6869	438	0	0	False	n-(2-aminoethyl)-2-{3-chloro-4-[(4-isopropylbenzyl)oxy]phenyl}_acetamide
7048	438	0	0	False	chloropyramine
7247	438	2	10	True	idelalisib
7545	438	0	0	True	mequinol
7976	438	0	0	False	spebrutinib
8001	438	0	0	False	berzosertib
8101	438	0	0	False	galunisertib
8236	438	0	0	True	letermovir
8347	438	0	0	False	n-6022
8388	438	0	0	False	vadadustat
8499	438	0	0	False	esreboxetine
9050	438	0	0	False	surinabant
9164	438	0	0	False	acetylleucine
9183	438	3	0	True	quinupramine
9227	438	0	0	False	idrocilamide
9583	438	0	0	False	niaprazine
9646	438	1	0	False	epanolol
10085	438	0	0	False	caprylyl_glycol
10284	438	0	0	False	tenofovir_exalidex
10578	438	0	0	False	fet_f-18
10938	438	0	0	False	para-hydroxyatorvastatin
11001	438	0	0	False	clofarabind-5'-monophosphate
11400	438	0	0	False	hydroxy-hydrocinnamic_acid
11697	438	0	0	False	thienopyridinium
11755	438	0	0	False	para-hydroxyatorvastatin_lactone
11760	438	0	0	False	6-hydroxymethyletoricoxib_1'-n'-oxide
11989	438	0	0	False	prt062799
12071	438	0	0	False	2-(4-hydroxyphenyl)acetaldehyde
12162	438	0	0	False	4-hydroxy-4-(6-methoxy-2-naphthyl)-2-butanone
12436	438	0	0	False	m17
12439	438	0	0	False	pci-45752_(m34)
12914	438	0	0	False	2'-hydroxy-3'-glutathione_conjugated_diclofenac
9	439	48	341	True	octreotide
163	439	2	0	False	chlorotrianisene
177	439	4	49	True	clemastine
216	439	7	15	True	tolcapone
441	439	6	127	True	hydroxyzine
886	439	3	32	True	balsalazide
941	439	12	172	True	fludarabine
1112	439	0	39	True	alimemazine
1123	439	3	102	True	lapatinib
1134	439	23	109	True	hydralazine
1421	439	0	0	True	5-o-phosphono-alpha-d-ribofuranosyl_diphosphate
1609	439	0	0	False	[4-(6-chloro-naphthalene-2-sulfonyl)-piperazin-1-yl]-(3_4_5_6-tetrahydro-2h-[1_4']bipyridinyl-4-yl)-methanone
1709	439	0	0	False	n-(4-methoxybenzyl)-n'-(5-nitro-1_3-thiazol-2-yl)urea
1721	439	0	0	False	phosphonotyrosine
1729	439	0	0	False	hg9a-9__nonanoyl-n-hydroxyethylglucamide
1820	439	0	0	False	triglu-5-formyl-tetrahydrofolate
2106	439	0	0	False	adenosine_monotungstate
2356	439	0	0	False	heptanamide
2516	439	0	0	False	mono-[3_4-dihydroxy-5-(5-methyl-benzoimidazol-1-yl)-tetrahydor-furan-2-ylmethyl]_ester
2754	439	0	0	False	2-{3-[4-(4-fluorophenyl)-3_6-dihydro-1(2h)-pyridinyl]propyl}-8-methyl-4(3h)-quinazolinone
2784	439	0	0	False	2-[4-[(z)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-formylphenyl]acetic_acid
3598	439	0	0	False	4-(fluorophenyl)-1-cyclopropylmethyl-5-(2-amino-4-pyrimidinyl)imidazole
4024	439	0	0	False	2-fluoroadenosine
4212	439	0	0	False	3_7-dihydroxynaphthalene-2-carboxylic_acid
4305	439	0	0	False	(s)-hydroxy(phenyl)acetonitrile
4364	439	0	0	False	triazolopyridine
4408	439	21	23	True	flunarizine
4410	439	0	0	True	mepenzolate
4647	439	4	0	False	ino-1001
4780	439	26	0	True	rimonabant
4969	439	0	0	False	rebimastat
5463	439	0	0	False	(2r)-n-hydroxy-2-[(3s)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide
5630	439	0	0	False	5-chloro-n-{4-[(1r)-1_2-dihydroxyethyl]phenyl}-1h-indole-2-carboxamide
5849	439	0	0	False	(2s)-1-(9h-carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
5859	439	0	0	False	9_9_9-trifluoro-8-oxo-n-phenylnonanamide
5965	439	0	0	False	5-amino-3-{[4-(aminosulfonyl)phenyl]amino}-n-(2_6-difluorophenyl)-1h-1_2_4-triazole-1-carbothioamide
6077	439	0	0	False	1-{(1r_2s)-2-hydroxy-1-[2-(2-naphthyloxy)ethyl]propyl}-1h-imidazone-4-carboxamide
6079	439	0	0	False	5-fluoro-1-[4-(4-phenyl-3_6-dihydropyridin-1(2h)-yl)butyl]quinazoline-2_4(1h_3h)-dione
6123	439	0	0	False	n-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1_3_4-oxadiazol-2-yl)biphenyl-4-carboxamide
6263	439	0	0	False	3-({[3_5-difluoro-3'-(trifluoromethoxy)biphenyl-4-yl]amino}carbonyl)thiophene-2-carboxylic_acid
6378	439	0	0	False	3-(2-chlorophenyl)-1-(2-{[(1s)-2-hydroxy-1_2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
6529	439	0	0	False	4-[5-(2-carboxy-1-formyl-ethylcarbamoyl)-pyridin-3-yl]-benzoic_acid
6605	439	0	0	False	9-(2-carboxyethyl)-10-methylanthracene_endoperoxide
6707	439	0	0	False	n-1_10-phenanthrolin-5-ylacetamide
6858	439	0	0	False	n-[(4-methoxyphenyl)sulfonyl]-d-alanine
6907	439	0	0	False	2-(1h-indol-3-yl)acetamide
7000	439	0	0	False	3-(2-amino-6-benzoylquinazolin-3(4h)-yl)-n-cyclohexyl-n-methylpropanamide
7027	439	0	0	False	[4-amino-2-(tert-butylamino)-1_3-thiazol-5-yl](phenyl)methanone
7250	439	2	34	True	atosiban
7698	439	1	0	True	guaiacol
7950	439	0	0	False	fedovapagon
8100	439	0	0	False	mk-0249
8139	439	0	0	False	delanzomib
8555	439	0	0	False	glpg-0492
8686	439	0	0	False	taprenepag
8804	439	0	0	True	gaxilose
9256	439	0	0	False	amezinium_metilsulfate
9293	439	0	0	False	benzilone
10231	439	0	0	False	ripretinib
10277	439	0	0	False	flortaucipir_f-18
10350	439	0	0	False	flortaucipir
10352	439	0	0	True	zanubrutinib
10455	439	0	0	False	pemafibrate
11587	439	0	0	False	3-carbamoyl-2-phenylpropionaldehyde
11591	439	0	0	False	5-phenyl-1_3-oxazinane-2_4-dione
11743	439	0	0	False	zafirlukast_metabolite_m8
12172	439	0	0	False	n-dealkylated_perphenazine
12246	439	0	0	False	norzotepine
12434	439	0	0	False	pci-45227_(m37)
12731	439	0	0	False	salicyluric_acid
12865	439	0	0	False	n-desmethyl_prochlorperazine
12908	439	0	0	False	5_n-dihydroxy_diclofenac
13060	439	0	0	False	trans-10_11-dihydro-10_11-dihydroxycarbamazepine
13061	439	0	0	False	cis-10_11-dihydro-10_11-dihydroxycarbamazepine
339	440	20	62	True	droperidol
362	440	0	0	True	hexylcaine
370	440	27	121	True	raloxifene
664	440	0	0	False	marimastat
744	440	5	42	True	ritodrine
907	440	4	74	True	tolterodine
994	440	3	47	True	econazole
1411	440	0	0	False	thioproperazine
1431	440	0	0	False	thymidine_monophosphate
1636	440	0	0	False	3-(6-aminopyridin-3-yl)-n-methyl-n-[(1-methyl-1h-indol-2-yl)methyl]acrylamide
1648	440	0	0	False	(s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinicacid
1724	440	0	0	False	2'-deoxyuridine_5'-alpha_beta-imido-triphosphate
2375	440	0	0	False	adenosine-5'-diphosphate-2'_3'-vanadate
3882	440	0	0	False	2-[4-(4-chlorophenyl)cyclohexylidene]-3_4-dihydroxy-1(2h)-naphthalenone
3905	440	0	0	False	5-[(4-methylphenyl)sulfanyl]-2_4-quinazolinediamine
4063	440	0	0	False	cmp-2-keto-3-deoxy-octulosonic_acid
4347	440	0	0	False	sulfatide
4448	440	2	0	False	darusentan
4683	440	0	0	False	gts-21
4831	440	1	0	False	tariquidar
4833	440	5	0	False	exisulind
5158	440	0	0	False	(2s)-2-[3-(aminomethyl)phenyl]-3-{(s)-hydroxy[(1r)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic_acid
5433	440	0	0	False	n-(4-chlorobenzyl)-n-methylbenzene-1_4-disulfonamide
5454	440	0	0	False	(2s)-2-[3-(aminomethyl)phenyl]-3-{(r)-hydroxy[(1r)-2-methyl-1-{[(3-phenylpropyl)sulfonyl]amino}propyl]phosphoryl}propanoic_acid
5541	440	0	0	False	n-[4-(2-chlorophenyl)-1_3-dioxo-1_2_3_6-tetrahydropyrrolo[3_4-c]carbazol-9-yl]formamide
5627	440	0	0	False	2_5-dichloro-n-(5-chloro-1_3-benzoxazol-2-yl)benzenesulfonamide
5819	440	0	0	False	7-[(3-chlorobenzyl)oxy]-2-oxo-2h-chromene-4-carbaldehyde
5826	440	0	0	False	(6r)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3_6-dimethyl-5_6-dihydropyrimidin-4(3h)-one
5847	440	0	0	False	4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic_acid
6003	440	0	0	False	1-[(2s)-2-[(4-chlorobenzyl)oxy]-2-(2_4-dichlorophenyl)ethyl]-1h-imidazole
6140	440	0	0	False	(3r_4s)-1-(3_4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine
6198	440	0	0	False	(3e)-2_6-dioxo-6-phenylhex-3-enoate
6232	440	0	0	False	5-(3-carbamoylbenzyl)-5_6_7_8_9_10-hexahydrocyclohepta[b]indole-4-carboxylic_acid
6486	440	0	0	False	4-(1_3-benzoxazol-2-yl)-2_6-dibromophenol
6725	440	0	0	False	3-chloro-5-[2-chloro-5-(1h-pyrazolo[3_4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile
6779	440	0	0	False	(s)-(+)-2-[4-(fluorobenzyloxy-benzylamino)propionamide]
7055	440	1	0	False	bopindolol
7129	440	0	0	True	glycerol_phenylbutyrate
7223	440	0	0	True	butriptyline
7227	440	0	91	True	bisacodyl
7360	440	0	0	False	talopram
7361	440	0	0	False	talsupram
7673	440	0	0	False	2-ethylhexyl_benzoate
7723	440	1	0	True	dichlorophen
7989	440	0	0	False	tosedostat
8026	440	0	0	False	danegaptide
8047	440	0	0	False	lucitanib
8069	440	14	0	False	crocin
8990	440	0	0	False	tinoridine
9089	440	1	0	True	amitriptylinoxide
9402	440	0	0	False	hidrosmin
9415	440	0	0	False	carfecillin
9447	440	0	0	False	bevonium
9730	440	0	0	False	pipenzolate
9936	440	0	0	True	distearyldimonium
10464	440	0	0	False	tirabrutinib
10768	440	0	0	False	o-desmethylcarvedilol
10847	440	0	0	False	desmethylclomipramine
10965	440	0	0	False	hydroxynefazodone
11427	440	0	0	False	n-desmethyl_olopatadine
11508	440	0	0	False	sulindac_sulfone
11513	440	0	0	False	desacetyl-nitazoxanide
12128	440	0	0	False	p-fluorobenzoylpropionic_acid_and_4-(4-chlorophenyl)-4-hydroxypiperidine
12384	440	0	0	False	byproduct_(piperaquine)
12903	440	0	0	False	3'_4'-hydroxy_diclofenac
258	441	0	28	True	doxylamine
262	441	0	151	True	mirtazapine
287	441	12	32	True	phenylpropanolamine
919	441	51	256	True	ibuprofen
937	441	17	208	True	promethazine
1093	441	0	2	True	levacetylmethadol
1236	441	0	0	False	methadyl_acetate
1286	441	0	0	False	cathine
1315	441	0	0	False	betacetylmethadol
1338	441	1	37	False	ethyl_loflazepate
1348	441	0	0	False	alphacetylmethadol
1774	441	0	0	False	amido_phenyl_pyruvic_acid
1786	441	0	0	False	alpha-ribazole-5'-phosphate
2103	441	0	0	False	nz-(1-carboxyethyl)-lysine
2111	441	0	0	False	mmi-175
2150	441	0	0	False	[[4-(aminomethyl)phenyl]amino]oxo-acetic_acid_
2288	441	0	0	False	pd173955
2325	441	0	0	False	adenosine_phosphonoacetic_acid
2345	441	0	0	False	1-[3_3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-pyrrolidine-2-carboxylic_acid(1_2_3_4-tetrahydro-naphthalen-1-yl)-amide
2389	441	0	0	False	d-naphthyl-1-acetamido_boronic_acid_alanine
2960	441	0	0	False	l-naphthyl-1-acetamido_boronic_acid_alanine
3393	441	0	0	False	5-fluoro-2'-deoxyuridine-5'-monophosphate
3528	441	0	0	False	succinamide-coa
3701	441	0	0	False	2-[{4-[(2s)-2-{[(allyloxy)carbonyl]amino}-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenyl}(carboxycarbonyl)amino]benzoic_acid
4067	441	0	0	False	(2s)-2_8-diaminooctanoic_acid
4115	441	0	0	False	l-tryptophanamide
4181	441	0	0	False	2-[2-ethanesulfonylamino-3-(5-propoxy-1h-indol-3-yl)-propionylamino]-pentanedioic_acid_5-amide_1-(4-carbamimidoyl-benzylamide)
4267	441	0	0	False	n-(1_4-dihydro-5h-tetrazol-5-ylidene)-9-oxo-9h-xanthene-2-sulfonamide
4300	441	0	0	False	n-(4-morpholine)carbonyl-b-(1-naphthyl)-l-alanine-l-leucine_boronic_acid
5028	441	0	0	False	esmirtazapine
5144	441	0	0	True	sulconazole
5670	441	0	0	False	3-(heptyloxy)benzoic_acid
5733	441	0	0	False	(2s)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
5750	441	0	0	False	3-{[(9-cyano-9_10-dihydro-10-methylacridin-9-yl)carbonyl]amino}propanoic_acid
5764	441	0	0	False	3-(1h-indol-3-yl)-4-(1-{2-[(2s)-1-methylpyrrolidinyl]ethyl}-1h-indol-3-yl)-1h-pyrrole-2_5-dione
5766	441	0	0	False	3-(1h-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1h-indol-3-yl}-1h-pyrrole-2_5-dione
6027	441	0	0	False	2-[(2-naphthylsulfonyl)amino]ethyl_dihydrogen_phosphate
6108	441	0	0	False	1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1_3-thiazol-2-yl)urea
6125	441	0	0	False	1-decyl-3-trifluoro_ethyl-sn-glycero-2-phosphomethanol
6196	441	0	0	False	(1s_2s_5s)2-(4-glutaridylbenzyl)-5-phenyl-1-cyclohexanol
6319	441	0	0	False	6_7_12_13-tetrahydro-5h-indolo[2_3-a]pyrrolo[3_4-c]carbazol-5-one
6623	441	0	0	False	n-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
6960	441	0	0	False	n-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1_2_4]triazolo[4_3-b]pyridazin-6-amine
7382	441	0	0	True	dexibuprofen
7664	441	0	0	True	dl-methylephedrine
8054	441	0	0	True	revefenacin
8095	441	0	0	False	flumatinib
8407	441	0	0	False	azd-5423
8457	441	0	0	False	ly-2456302
8485	441	0	0	False	gdc-0152
8486	441	0	0	False	merestinib
8750	441	0	0	False	solamargine
8893	441	0	0	False	gsk-1521498
8926	441	0	0	False	jnj-39220675
9151	441	0	0	True	butaperazine
9506	441	1	0	False	phenazocine
9635	441	1	0	False	fazadinium_bromide
9837	441	1	0	False	hispidulin
9971	441	0	0	True	2_2'-dibenzothiazyl_disulfide
10327	441	0	0	False	linrodostat
10355	441	0	0	False	iti-214
10571	441	0	0	False	telatinib
10608	441	0	0	False	acumapimod
11108	441	0	0	False	norephedrine
11588	441	0	0	False	atropaldehyde
11634	441	0	0	False	spiraprilat
11746	441	0	0	False	5-carboxylic_acid_tolterodine
11863	441	0	0	False	m0
12001	441	0	0	False	(2s)-n-[(2s_3r)-4-[(3s_4ar_8as)-3-(tert-butylcarbamoyl)-6-hydroxy-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-[(quinolin-2-yl)formamido]butanediamide
12002	441	0	0	False	(2s)-n-[(2s_3r)-4-[(3s_4as_8as)-3-(tert-butylcarbamoyl)-7-hydroxy-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-[(quinolin-2-yl)formamido]butanediamide
12047	441	0	0	False	10-hete
12417	441	0	0	False	5-fluorodeoxyuridine-monophosphate
12960	441	0	0	False	labetalol_theoretical_metabolite_(ix)
13070	441	0	0	False	hydralazine_pyruvate_hydrazone_tricyclic_dehydration_product
178	442	10	50	True	acarbose
600	442	3	1	True	azatadine
699	442	0	4	True	carprofen
939	442	2	0	False	mequitazine
980	442	9	28	True	papaverine
1351	442	7	74	True	bromazepam
1378	442	0	0	True	ketazolam
1480	442	30	2	True	rutin
1664	442	0	0	False	2-(2f-benzothiazolyl)-5-styryl-3-(4f-phthalhydrazidyl)tetrazolium_chloride
1808	442	0	0	False	gabaculine
1848	442	0	0	False	isatin
2764	442	0	0	False	ic261
2910	442	0	0	False	(2s)-4-(beta-alanylamino)-2-aminobutanoic_acid
2929	442	12	13	True	phenol
3019	442	0	0	False	sri-9439
3200	442	0	0	False	3-tyrosine
3908	442	0	0	False	2-[(formyl-hydroxy-amino)-methyl]-heptanoic_acid_[1-(2-hydroxymethyl-pyrrolidine-1-carbonyl)-2-methyl-propyl]-amide
4014	442	0	0	False	3-(4-phenylamino-phenylamino)-2-(1h-tetrazol-5-yl)-acrylonitrile
4171	442	0	0	False	4-o-{4_6-o-[(1s)-1-carboxyethylidene]-β-d-mannopyranosyl}-d-glucopyranuronic_acid
4272	442	19	16	True	hesperidin
4277	442	0	0	False	(s)-tetrahydrofuran-3-yl_(2s_3s)-4-((s)-4-((1r_3r)-3-(2-amino-2-oxoethyl)-2_3-dihydro-1h-inden-1-yl)-2-benzyl-3-oxo-2_3-dihydro-1h-pyrrol-2-yl)-3-hydroxy-1-phenylbutan-2-ylcarbamate
4457	442	0	0	False	phenserine
4894	442	1	7	True	bazedoxifene
4917	442	0	0	False	dotarizine
4966	442	1	0	False	siramesine
5036	442	10	2	True	mepyramine
5320	442	0	0	False	4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
5465	442	0	0	False	methyl_(1r_2s)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
5503	442	0	0	False	4-(4-methylpiperazin-1-yl)-n-[5-(2-thienylacetyl)-1_5-dihydropyrrolo[3_4-c]pyrazol-3-yl]benzamide
5521	442	0	0	False	n6-isopentenyl-adenosine-5'-monophosphate
5542	442	0	0	False	4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1h-imidazol-1-yl)methyl]benzonitrile
5620	442	0	0	False	5-(2-chloro-4-nitrophenyl)-2-furoic_acid
5672	442	0	0	False	4-amino-2-hexyloxy-6-hydroxymethyl-tetrahydro-pyran-3_5-diol
6021	442	0	0	False	indeglitazar
6023	442	0	0	False	2-[2-(2-fluorophenyl)pyridin-4-yl]-1_5_6_7-tetrahydro-4h-pyrrolo[3_2-c]pyridin-4-one
6042	442	0	0	False	(3r)-n-(4-chlorophenyl)-3-(hydroxymethyl)-1_2_3_4-tetrahydroisoquinoline-7-sulfonamide
6391	442	0	0	False	n-({6-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-d-glutamic_acid
6487	442	0	0	False	2-(3_5-dimethylphenyl)-1_3-benzoxazole
6892	442	0	0	False	2-hydroxybenzalpyruvate
8016	442	0	0	False	arhalofenate
8098	442	0	0	False	rociletinib
8158	442	0	0	True	glasdegib
8163	442	0	0	False	dapaconazole
8562	442	0	0	False	pf-04531083
8640	442	0	0	False	gemcitabine_elaidate
8704	442	0	0	False	givinostat
8777	442	0	0	False	firategrast
8869	442	0	0	False	ly-377604
9189	442	0	0	False	tropatepine
9610	442	0	0	False	phenothrin
9670	442	0	0	False	imipramine_oxide
9978	442	4	0	False	ramiprilat
10523	442	0	0	False	posiphen
10981	442	0	0	False	1'-hydroxytriazolam
11456	442	0	0	False	n-isopropylterephthalamic_acid
11501	442	0	0	False	ramiprilat
11541	442	0	0	False	nitroso-dapsone
12397	442	0	0	False	imipramine_n-oxide
12797	442	0	0	False	tamsulosin_m-1_metabolite
89	443	2	38	True	vidarabine
524	443	21	78	True	adenosine
540	443	32	83	True	trazodone
686	443	14	70	True	indapamide
888	443	18	58	True	glyburide
949	443	0	63	True	diphenoxylate
1138	443	5	0	True	lumiracoxib
1175	443	0	0	False	tasosartan
1412	443	5	51	True	thiothixene
2021	443	0	0	False	2-phenylamino-ethanesulfonic_acid
2060	443	0	0	False	5-iodo-2'-deoxyuridine-5'-monophosphate
2072	443	0	0	False	s-(d-carboxybutyl)-l-homocysteine
2145	443	0	0	False	n-octyl-2-hydroxyethyl_sulfoxide
2200	443	0	0	False	6-[n-(1-isopropyl-3_4-dihydro-7-isoquinolinyl)carbamyl]-2-naphthalenecarboxamidine
2336	443	0	0	False	bromo-dodecanol
2517	443	0	0	False	1-azepan-1-yl-2-phenyl-2-(4-thioxo-1_4-dihydro-pyrazolo[3_4-d]pyrimidin-5-yl)ethanone_adduct
2646	443	0	0	False	orotidine-5'-monophosphate
2652	443	0	0	False	(5-chloropyrazolo[1_5-a]pyrimidin-7-yl)-(4-methanesulfonylphenyl)amine
2905	443	0	0	False	3-(5-amino-7-oxo-3_7-dihydro-2h-[1_2_3]triazolo[4_5-d]pyrimidin-2-yl)-n-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide
3104	443	0	0	False	6-bromoindirubin-3'-oxime
3180	443	0	0	False	9-beta-d-xylofuranosyl-adenine
3235	443	0	0	False	ru82209
3266	443	0	0	False	7-(carboxyamino)-8-amino-nonanoic_acid
3396	443	0	0	False	2'-cytidylic_acid
3408	443	0	0	False	rbt205_inhibitor
3431	443	0	0	False	1-[4-(octahydro-pyrido[1_2-a]pyrazin-2-yl)-phenyl]-2-phenyl-1_2_3_4-tetrahydro-isoquinolin-6-ol
3518	443	2	0	False	malachite_green
4134	443	4	0	False	arachidonic_acid
4923	443	0	0	False	tecastemizole
4955	443	0	0	False	ocinaplon
5026	443	0	0	False	almorexant
5141	443	1	0	True	pyrvinium
5284	443	0	0	False	hexylphosphonic_acid_(r)-2-methyl-3-phenylpropyl_ester
5285	443	0	0	False	hexylphosphonic_acid_(s)-2-methyl-3-phenylpropyl_ester
5432	443	0	0	False	4-[(methylsulfonyl)amino]benzoic_acid
5496	443	0	0	False	3-((3-bromo-5-o-tolylpyrazolo[1_5-a]pyrimidin-7-ylamino)methyl)pyridine_1-oxide
5538	443	0	0	False	methyl_n-({(2s_3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate
5721	443	0	0	False	[2-(3-dibenzofuran-4-yl-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic_acid
5775	443	0	0	False	4-chloro-n-[(2s)-2-methyl-2_3-dihydro-1h-indol-1-yl]-3-sulfamoylbenzamide
6291	443	0	0	False	5-methyl-n-[4-(trifluoromethyl)phenyl][1_2_4]triazolo[1_5-a]pyrimidin-7-amine
6305	443	0	0	False	(2s)-1_3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile
6347	443	0	0	False	n-(3-tert-butyl-1h-pyrazol-5-yl)-n'-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea
6670	443	0	0	False	4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic_acid
7185	443	3	0	True	floctafenine
7192	443	0	0	False	etofenamate
7266	443	0	3	True	umeclidinium
7562	443	0	10	True	cetylpyridinium
7635	443	0	0	True	arbutin
7919	443	0	0	False	ilorasertib
8068	443	0	0	False	verinurad
8078	443	0	0	False	sb-705498
8540	443	0	0	False	sonedenoson
9135	443	0	0	False	methylbenactyzium
9915	443	0	0	True	alpha-arbutin
10385	443	0	0	False	ly-2624803
10423	443	0	0	False	pittsburgh_compound_b
10510	443	0	0	False	tenalisib
10586	443	0	0	False	cm-4307
10676	443	0	0	False	3-hydroxymethylantipyrine
10718	443	0	0	False	e-10-hydroxynortriptyline
10761	443	0	0	False	promazine_5-sulfoxide
10801	443	0	0	False	o-desmethylnaproxen
10910	443	0	0	False	demethylmaprotiline
11034	443	0	0	False	4-hydroxymethyl_ambrisentan
11282	443	0	0	False	4-aminobenzoyl-(beta)-alanine
12040	443	0	0	False	3-oh-methylantipyrine
12059	443	0	0	False	12-hete
12062	443	0	0	False	8-hete
12163	443	0	0	False	desmethylnaproxen
12171	443	0	0	False	e-10-oh-nortriptyline
12305	443	0	0	False	secondary_metabolite_of_vemurafenib
12905	443	0	0	False	4'-hydroxy-3'-glutathione_conjugated_diclofenac
12906	443	0	0	False	4'-hydroxy-2'-glutathione_conjugated_monoclofenac
12971	443	0	0	False	4'-hydroxy-3'-methoxy-butyrfentanyl
13038	443	0	0	False	quinapril_metabolite_pd109488
607	444	3	55	True	trimipramine
995	444	3	71	True	bicalutamide
1118	444	0	0	False	mitiglinide
2157	444	0	0	False	2_4-diamino-6-[n-(2'_5'-dimethoxybenzyl)-n-methylamino]quinazoline
2320	444	0	0	False	4-hydroxyphenylglycine
2557	444	0	0	False	4-(aminosulfonyl)-n-[(3_4_5-trifluorophenyl)methyl]-benzamide
2623	444	0	0	False	(r)-bicalutamide
2631	444	0	0	False	3-(1-aminoethyl)nonanedioic_acid
2822	444	0	0	False	2-deazo-6-thiophosphate_guanosine-5'-monophosphate
3109	444	0	0	False	n-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
3472	444	0	0	False	2'-deoxy-5-(hydroxymethyl)uridine_5'-(dihydrogen_phosphate)
3799	444	0	0	False	chitotriose
3891	444	0	0	False	oxfenicine
3907	444	0	0	False	d-4-hydroxyphenylglycine
3971	444	0	0	False	n-methyl-n-(methylbenzyl)formamide
4253	444	0	0	False	bis(hexamethylene)triamine
4293	444	0	0	False	(s)-2-((s)-3-isobutyl-2_5-dioxo-4-quinolin-3-ylmethyl-[1_4]diazepan-1yl)-n-methyl-3-naphtalen-2-yl-propionamide
4327	444	0	0	False	pyrimidine-4_6-dicarboxylic_acid_bis-(3-methyl-benzylamide)
4345	444	0	0	False	sc45647
4552	444	1	0	False	alisertib
4733	444	0	0	False	ppl-100
4940	444	0	0	False	sufugolix
4951	444	0	0	False	ertiprotafib
5149	444	0	0	True	unoprostone
5512	444	0	0	False	n-methyl-1-(2-thiophen-2-ylphenyl)methanamine
5552	444	0	0	False	{4-[(2r)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone
5963	444	0	0	False	n-[4-(3-bromo-phenylamino)-quinazolin-6-yl]-acrylamide
5968	444	0	0	False	2-((3'_5'-dimethyl-4'-hydroxyphenyl)azo)benzoic_acid
6163	444	0	0	False	(6s)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3_6-dimethyl-5_6-dihydropyrimidin-4(3h)-one
6473	444	0	0	False	2-(3-nitrophenyl)acetic_acid
6522	444	0	0	False	(1s)-1-cyclopropyl-2-[(2s)-4-(2_5-difluorophenyl)-2-phenyl-2_5-dihydro-1h-pyrrol-1-yl]-2-oxoethanamine
6655	444	0	0	False	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic_acid
6680	444	0	0	False	para-nitrobenzyl_glutaryl_glycinic_acid
6820	444	0	0	False	2-hydroxymethyl-6-octylsulfanyl-tetrahydro-pyran-3_4_5-triol
7186	444	1	0	False	fentonium
7264	444	5	1	True	olaparib
7489	444	0	0	True	hydroxyamphetamine
7842	444	0	0	True	etafedrine
8196	444	0	0	False	pf-04418948
8302	444	0	0	False	s-3304
8436	444	1	0	True	dopexamine
8466	444	1	0	False	netazepide
8628	444	0	0	False	taladegib
8632	444	0	0	False	nelotanserin
8785	444	0	0	False	cgi-1842
9236	444	0	0	False	ormeloxifene
9568	444	0	0	False	dimethylaminopropionylphenothiazine
9601	444	0	0	False	fenquizone
10407	444	0	0	False	tepotinib
10519	444	0	0	False	vactosertib
10630	444	0	0	True	edotreotide_gallium_ga-68
10717	444	0	0	False	e-10-hydroxyamitriptyline
10776	444	0	0	False	5-o-desmethyldonepezil
10777	444	0	0	False	6-o-desmethyldonepezil
11290	444	0	0	False	4-hydroxyamphetamine
11374	444	0	0	False	didesmethylclomipramine
11436	444	0	0	False	n-acetyl-5-asa_(ac-5-asa)
11717	444	0	0	False	donepezil_metabolite_m9
11741	444	0	0	False	zafirlukast_metabolite_m4
11969	444	0	0	False	northiaden
11973	444	0	0	False	northiaden_s-oxide
12036	444	0	0	False	e-10-oh-amitriptyline
12828	444	0	0	False	3-oh-nabumetone
12840	444	0	0	False	o-desmethyl-3-hydroxy-nabumetone
12866	444	0	0	False	prochlorperazine_sulfoxide
13000	444	0	0	False	6-o-desmethyl_donepezil
368	445	36	62	True	amikacin
427	445	1	48	True	amoxapine
710	445	0	0	True	phensuximide
1096	445	4	9	True	pemoline
1205	445	0	0	False	magnesium_salicylate
1208	445	0	0	True	choline_magnesium_trisalicylate
1222	445	10	73	True	acenocoumarol
1669	445	0	0	False	5-bromo-2'-deoxyuridine_5'-(dihydrogen_phosphate)
1672	445	0	0	False	ru85493
1750	445	0	0	False	tu-514
1759	445	0	0	False	5-(4-morpholin-4-yl-phenylsulfanyl)-2_4-quinazolinediamine
1776	445	0	0	False	alrestatin
1963	445	0	0	False	4-(aminosulfonyl)-n-[(2_4_6-trifluorophenyl)methyl]-benzamide
2012	445	0	0	False	7-keto-8-aminopelargonic_acid
2268	445	25	45	True	vorinostat
2810	445	0	0	False	2-aminopimelic_acid
3719	445	0	0	False	(2s_3r)-3-amino-2-hydroxy-5-(ethylsulfanyl)pentanoyl-((s)-(-)-(1-naphthyl)ethyl)amide
3804	445	0	0	False	1-monohexanoyl-2-hydroxy-sn-glycero-3-phosphate
3810	445	0	0	False	thymidine-3'_5'-diphosphate
3926	445	0	0	False	isoquinoline
4939	445	0	0	False	enzastaurin
5154	445	0	0	False	2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3h)-one
5240	445	0	0	False	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-hydroxy{(1r)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic_acid
5344	445	0	0	False	(1s_5s_7r)-n~7~-(biphenyl-4-ylmethyl)-n~3~-hydroxy-6_8-dioxa-3-azabicyclo[3.2.1]octane-3_7-dicarboxamide
5473	445	0	0	False	(3s)-1-cyclohexyl-5-oxo-n-phenylpyrrolidine-3-carboxamide
5480	445	0	0	False	4-(3-amino-1h-indazol-5-yl)-n-tert-butylbenzenesulfonamide
5574	445	0	0	False	1-(4-thiophen-2-ylphenyl)methanamine
5641	445	0	0	False	6-chloro-n-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1_2-benzisoxazole-7-carboxamide
5665	445	0	0	False	(2e)-n-hydroxy-3-[1-methyl-4-(phenylacetyl)-1h-pyrrol-2-yl]prop-2-enamide
5898	445	0	0	False	(5z)-5-(3-bromocyclohexa-2_5-dien-1-ylidene)-n-(pyridin-4-ylmethyl)-1_5-dihydropyrazolo[1_5-a]pyrimidin-7-amine
5944	445	0	0	False	5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2_4-diamine
5948	445	0	0	False	undecylamine-n_n-dimethyl-n-oxide
6121	445	0	0	False	4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1_3-thiazole-2-carbaldehyde
6268	445	0	0	False	1-(4-iodobenzoyl)-5-methoxy-2-methyl_indole-3-acetic_acid
6375	445	0	0	False	3-fluoro-n-1h-indol-5-yl-5-morpholin-4-ylbenzamide
6518	445	0	0	False	(2s)-4-(2_5-difluorophenyl)-n-methyl-2-phenyl-n-piperidin-4-yl-2_5-dihydro-1h-pyrrole-1-carboxamide
6661	445	0	0	False	6_7-dimethoxy-4-[(3r)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline
6732	445	0	0	False	5-[2-(4-hydroxyphenyl)ethyl]benzene-1_3-diol
6784	445	0	0	False	4-(4-fluorophenyl)-1-cycloropropylmethyl-5-(4-pyridyl)-imidazole
7045	445	0	23	True	salicylamide
7165	445	6	17	True	ifenprodil
7346	445	0	0	False	mirfentanil
7348	445	0	0	False	phenaridine
7550	445	0	23	True	methyl_salicylate
7677	445	0	0	True	phenoxyethanol
8394	445	0	0	False	atevirdine
8498	445	0	0	False	eleclazine
8533	445	0	0	True	steviolbioside
8545	445	0	0	False	lifibrol
8649	445	0	0	False	ly-295501
8746	445	0	0	False	ce-326597
8747	445	4	0	False	phenethyl_isothiocyanate
8856	445	0	0	True	pegvaliase
9022	445	0	0	False	glyceryl_trioleate
9835	445	0	0	True	choline_salicylate
9856	445	0	0	False	englitazone
10144	445	0	0	False	fagrocorat
10262	445	0	0	False	derazantinib
10347	445	0	0	False	mk-1064
10382	445	0	0	False	ocrylate
11649	445	0	0	False	methyl-thioinosine_5'-monophospate
11907	445	0	0	False	5-hydroxy-lasofoxifene_(5-ohlas)
12024	445	0	0	False	(s)-4'-hydroxypropafenone
12060	445	0	0	False	11-hete
12061	445	0	0	False	9-hete
12907	445	0	0	False	5-hydroxy_diclofenac
13071	445	0	0	False	phthalazinone
65	446	6	0	True	menadione
144	446	30	81	True	dapsone
214	446	45	122	True	amitriptyline
683	446	3	0	True	minaprine
695	446	0	0	True	rosoxacin
1322	446	0	3	False	dextromoramide
2186	446	0	0	False	4-guanidinobenzoic_acid
2248	446	0	0	False	2'_3'-o-{4-[hydroxy(oxido)-λ5-azanylidene]-2_6-dinitro-2_5-cyclohexadiene-1_1-diyl}adenosine_5'-(tetrahydrogen_triphosphate)
2932	446	0	0	False	2'-deoxycytidine_5'-triphosphate
3300	446	0	0	False	4-iodo-l-phenylalanine
3446	446	0	0	False	salicylhydroxamic_acid
3456	446	0	0	False	pseudouridine-5'-monophosphate
3569	446	0	0	False	6-chloropurine_riboside__5'-monophosphate
3661	446	0	0	False	methylmalonyl-coenzyme_a
3892	446	0	0	False	4-[(isopropylamino)methyl]phenylalanine
4011	446	0	0	False	alpha-methyl-n-acetyl-d-glucosamine
4039	446	0	0	False	2'-deoxyguanosine-5'-monophosphate
4154	446	0	0	False	(s)-2-[(r)-3-amino-4-(2-fluorophenyl)butyryl]-1_2_3_4-tetrahydroisoquinoline-3-carboxamide
4232	446	0	0	False	cis-tetracosenoyl_sulfatide
4282	446	0	0	False	4-iodo-d-phenylalanine
4468	446	0	0	False	idronoxil
4844	446	0	0	True	hexaminolevulinate
5121	446	4	51	True	lanreotide
5275	446	0	0	False	n-(4-acetylphenyl)-5-(5-chloro-2_4-dihydroxyphenyl)-1h-pyrazole-4-carboxamide
5343	446	0	0	False	3-(5-{[4-(aminomethyl)piperidin-1-yl]methyl}-1h-indol-2-yl)quinolin-2(1h)-one
5346	446	0	0	False	(2-{[(4-bromo-2-fluorobenzyl)amino]carbonyl}-5-chlorophenoxy)acetic_acid
5407	446	0	0	False	n-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide
5423	446	0	0	False	2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide
5448	446	0	0	False	4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic_acid
5458	446	0	0	False	5-[(3r)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2_4-diamine
5656	446	0	0	False	octyl_3-amino-3-deoxy-2-o-(2_6-dideoxy-alpha-l-lyxo-hexopyranosyl)-beta-d-galactopyranoside
5892	446	0	0	False	n-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-n~2~-[(1s)-2_2_2-trifluoro-1-(4-hydroxyphenyl)ethyl]-l-alaninamide
6010	446	0	0	False	(1s)-1-{[(4'-methoxy-1_1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic_acid
6063	446	0	0	False	s-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
6066	446	0	0	False	(1r)-1-{[(4'-methoxy-1_1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic_acid
6124	446	0	0	False	n~3~-cyclopropyl-n~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3_4'-dicarboxamide
6201	446	0	0	False	2-hydroxy-6-oxo-6-phenyl-2_4-hexadienoic_acid
6202	446	0	0	False	(2e_4e)-2-hydroxy-6-oxo-6-phenyl-2_4-hexadienoic_acid
6384	446	0	0	False	2_6-dibromo-4-[(e)-2-phenylethenyl]phenol
6674	446	0	0	False	s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3_3-dimethylbutanoyl)-beta-alanyl]amino}ethyl)_hexanethioate
6826	446	0	0	False	l-1-naphthyl-2-acetamido-ethane_boronic_acid
6827	446	0	0	False	d-1-naphthyl-2-acetamido-ethane_boronic_acid
7004	446	0	0	False	4-{(1e)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}-1_2-phenylene_diacetate
7005	446	0	0	False	(2e)-3-(3_4-dihydroxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]acrylamide
7105	446	0	52	True	cabozantinib
7722	446	0	0	True	deracoxib
7885	446	0	0	False	t-2000
7991	446	6	18	False	imidapril
8057	446	0	0	False	aramchol
8330	446	0	0	False	srt-2104
8371	446	0	0	False	bms-214662
8473	446	0	0	True	betrixaban
8641	446	0	0	False	abexinostat
8714	446	0	0	False	sj-733
8770	446	0	0	False	azd-7295
9124	446	0	6	True	zofenopril
9150	446	0	0	False	phenolsulfonphthalein
11544	446	0	0	False	dapsone_gsh_conjugate
12045	446	0	0	False	5-hete
12955	446	0	0	False	labetalol_hydroxylated_metabolite_(iv)
160	447	9	1	True	dicoumarol
322	447	11	126	True	prochlorperazine
432	447	11	0	True	azelaic_acid
532	447	4	39	True	mitotane
1009	447	13	69	True	doxepin
1346	447	1	0	False	cloxazolam
1662	447	0	0	False	aspartyl-adenosine-5'-monophosphate
1705	447	0	0	False	3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1-methyl-1h-indol-3-yl)-1h-pyrrole-2_5-dione
1823	447	0	0	False	l-2-amino-4-[2-aminophenyl]-4-oxobutanoic_acid
1865	447	0	0	False	zk-806450
1936	447	0	0	False	2'_3'-dideoxyadenosine-5'-triphosphate
1999	447	0	0	False	platelet_activating_factor
2183	447	0	0	False	aracytidine_5'-monophosphate
2210	447	0	0	False	cytidine-5'-monophosphate-5-n-acetylneuraminic_acid
2360	447	0	0	False	3_4-epoxybutyl-alpha-d-glucopyranoside
2496	447	0	0	False	alpha-methylene_adenosine_monophosphate
2874	447	0	0	False	7-alpha-d-ribofuranosyl-purine-5'-phosphate
3066	447	0	0	False	cytidine-5'-monophosphate
3282	447	0	0	False	2'-deoxyuridine_5'-alpha_beta-imido-diphosphate
3329	447	0	0	False	n-phenylthiourea
4228	447	0	0	True	carboxin
4254	447	0	0	False	1-{(2s_5s)-4-fluoro-5-[(trityloxy)methyl]tetrahydrofuran-2-yl}pyrimidine-2_4(1h_3h)-dione
4418	447	0	0	False	implitapide
4480	447	22	0	False	tamibarotene
4814	447	1	85	True	eltrombopag
5002	447	1	52	True	axitinib
5078	447	0	0	False	zaltoprofen
5520	447	0	0	False	(1s)-1-(1h-indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1_7]naphtyridin-5-yloxy)-ehylamine
5619	447	0	0	False	5-[2-(trifluoromethoxy)phenyl]-2-furoic_acid
5730	447	0	0	False	(1r)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic_acid
5765	447	0	0	False	3-[1-(3-aminopropyl)-1h-indol-3-yl]-4-(1h-indol-3-yl)-1h-pyrrole-2_5-dione
5823	447	0	0	False	(2z_4e)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2_4-dienoic_acid
5914	447	0	0	False	6-(3-aminophenyl)-n-(tert-butyl)-2-(trifluoromethyl)quinazolin-4-amine
6118	447	0	0	False	4-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]pyridine
6341	447	0	0	False	4-[3-(1_4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2h)-one
6527	447	0	0	False	3_6_9_12_15-pentaoxatricosan-1-ol
6622	447	0	0	False	5-[3-(2-methoxyphenyl)-1h-pyrrolo[2_3-b]pyridin-5-yl]-n_n-dimethylpyridine-3-carboxamide
6760	447	0	0	False	(1s)-2-oxo-1-phenyl-2-[(1_3_4-trioxo-1_2_3_4-tetrahydroisoquinolin-5-yl)amino]ethyl_acetate
6981	447	0	0	False	3-fluoro-5-morpholin-4-yl-n-[1-(2-pyridin-4-ylethyl)-1h-indol-6-yl]benzamide
7021	447	0	0	False	3_4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine_acetic_acid
7120	447	1	106	True	regorafenib
7140	447	0	0	False	acediasulfone
7338	447	7	65	True	dosulepin
7388	447	0	0	True	bisoxatin
8465	447	0	0	False	imrecoxib
8511	447	0	0	False	pf-03635659
8827	447	0	0	False	laniquidar
8832	447	0	0	False	ataciguat
8837	447	2	0	False	palomid_529
8879	447	0	0	False	eliprodil
9021	447	5	0	False	ramatroban
9030	447	0	0	False	pac-1
9067	447	0	0	False	tiropramide
9093	447	0	0	False	paquinimod
9416	447	0	0	False	poldine
9449	447	0	0	False	ethenzamide
9908	447	0	0	True	1_2-distearoyllecithin
10181	447	0	0	False	cidoxepin
10303	447	0	0	False	bms-986020
10511	447	0	0	False	d-fluoromethyltyrosine_f-18
10562	447	0	0	False	atb-346
10810	447	0	0	False	dihydro-5-hydroxyrofecoxib
11021	447	0	0	False	alpha-hydroxymidazolam
11273	447	0	0	False	3-hydroxyvalproic_acid_coa
11512	447	0	0	False	6-thioxanthine_5'-monophosphate
11642	447	0	0	False	thioxanthine_monophosphate
11814	447	0	0	False	indapamide_metabolite_m4
13040	447	0	0	False	bibf_1053
13134	447	0	0	False	acalabrutinib_m3_metabolite
445	448	4	5	True	doxapram
1300	448	0	0	True	difenoxin
1380	448	2	14	True	quazepam
1517	448	0	0	False	nalpha-(2-naphthylsulfonylglycyl)-3-amidino-d_l-phenylalanine-isopropylester
1754	448	0	0	False	5-methylcytidine_5'-monophosphate
1898	448	0	0	False	glutathione_s-atrazine
2123	448	0	0	False	d-gluco-2_5-anhydro-1-deoxy-1-phosphonohexitol-6-phosphate
2162	448	0	0	False	ru90395
2185	448	0	0	False	s-(2_4-dinitrophenyl)glutathione
2936	448	0	0	False	thiocellobiose
3315	448	0	0	False	n-cyclohexyl-n'-decylurea
4200	448	0	0	False	allosamidin
4312	448	3	0	False	lawsone
4376	448	0	0	False	salophen-10-propionate_iron_chelate
4383	448	0	0	True	dantron
4474	448	5	20	True	permethrin
4599	448	0	0	False	pipendoxifene
4679	448	0	0	False	iodofiltic_acid_i-123
4852	448	4	6	True	alvimopan
5011	448	0	0	False	fispemifene
5021	448	8	0	False	saredutant
5156	448	0	0	False	1-cyclohexyl-n-{[1-(4-methylphenyl)-1h-indol-3-yl]methyl}methanamine
5197	448	0	0	False	n_n-dimethyl-4-(4-phenyl-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide
5392	448	0	0	False	6-carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic_acid_methyl_ester
5724	448	0	0	False	5'-s-[2-(decylamino)ethyl]-5'-thioadenosine
5946	448	0	0	False	5-[(1s)-1-(3-chlorophenyl)ethoxy]quinazoline-2_4-diamine
6087	448	6	0	False	fisetin
6343	448	0	0	False	4-(2-aminophenyl)-4-oxobutanoic_acid
6493	448	0	0	False	1-methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1h-indole-2_3-dione
6845	448	0	0	False	s-[2-({n-[(2s)-2-hydroxy-3_3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]_hexanethioate
7139	448	0	0	False	amfecloral
7194	448	1	12	False	etifoxine
7418	448	0	0	False	phenoxypropazine
7753	448	0	0	True	nequinate
7982	448	0	0	False	pilaralisib
8059	448	0	0	False	alvelestat
8251	448	0	0	False	tt-232
8277	448	0	0	False	entospletinib
8356	448	0	0	False	gsk-424887
8405	448	4	28	True	propiverine
8549	448	0	0	False	caprylic_alcohol
8668	448	4	0	False	nafamostat
8700	448	0	0	False	tedatioxetine
8865	448	0	0	False	bms-908662
8907	448	0	0	False	debio-1347
9648	448	0	0	False	fenpiverinium
9772	448	0	0	False	diclofop-methyl
10326	448	0	0	False	enarodustat
10409	448	1	0	False	rebaudioside_a
10615	448	1	0	False	urolithin_a
10760	448	0	0	False	haloperidol_1_2_3_6-tetrahydropyridine
11051	448	0	0	False	e-10-hydroxydesmethylnortriptyline
11269	448	0	0	False	3-hydroxycarbamazepine
11292	448	0	0	False	4-hydroxymethamphetamine
11373	448	0	0	False	didesmethyl_doxepin
11798	448	0	0	False	licofelone_metabolite_m2
12587	448	0	0	False	thrx-195518
12969	448	0	0	False	β-hydroxy-butyrfentanyl
236	449	5	7	True	protriptyline
347	449	44	75	True	imipramine
424	449	21	52	True	nortriptyline
1275	449	0	0	False	dioxaphetyl_butyrate
1463	449	0	0	False	ru84687
1773	449	0	0	False	imidazole-derived_cellobiose
1809	449	0	0	False	n-butyl-benzenesulfonamide
2240	449	0	0	False	(r)-carnitinyl-coa_betaine
2483	449	0	0	False	n-(bromoacetyl)-beta-alanyl-n-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-l-serinamide
2872	449	0	0	False	thio-maltohexaose
2928	449	0	0	False	4-phenyl-1h-imidazole
3206	449	0	0	False	sp-876
3218	449	0	0	False	fr230513
3319	449	0	0	False	dibenzofuran-4_6-dicarboxylic_acid
3674	449	0	0	False	8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide
3806	449	0	0	False	histidyl-adenosine_monophosphate
4127	449	0	0	False	4-(aminosulfonyl)-n-[(2_3_4-trifluorophenyl)methyl]-benzamide
4261	449	0	0	False	ethyl_(2e)-4-({(2s)-2-[(n-{[(2-methyl-2-propanyl)oxy]carbonyl}-l-valyl)amino]-2-phenylacetyl}amino)-5-[(3s)-2-oxo-3-pyrrolidinyl]-2-pentenoate
4958	449	3	0	False	ragaglitazar
5082	449	0	0	False	gavestinel
5314	449	0	0	False	d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide
5340	449	0	0	False	3-hydroxypropyl_3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate
5387	449	0	0	False	3-hydroxyhippuric_acid
5530	449	0	0	False	2-methyl-2-(4-{[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1_3-thiazol-5-yl}carbonyl)amino]methyl}phenoxy)propanoic_acid
5808	449	0	0	False	(2s)-1-{4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol
5811	449	0	0	False	(2r)-1-{4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol
5820	449	0	0	False	7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2h-chromen-2-one
5891	449	0	0	False	3_4-di-1h-indol-3-yl-1h-pyrrole-2_5-dicarboxylic_acid
5976	449	0	0	False	(2s)-2-ethoxy-3-{4-[2-(10h-phenoxazin-10-yl)ethoxy]phenyl}propanoic_acid
6101	449	0	0	False	3-(4-hydroxyphenyl)-1-(2_4_6-trihydroxyphenyl)propan-1-one
6168	449	0	0	False	n-hydroxy-5-[(3-phenyl-5_6-dihydroimidazo[1_2-a]pyrazin-7(8h)-yl)carbonyl]thiophene-2-carboxamide
6383	449	0	0	False	2_6-dimethyl-4-[(e)-2-phenylethenyl]phenol
6438	449	0	0	False	3-[4-(aminosulfonyl)phenyl]propanoic_acid
6454	449	0	0	False	(2z)-n-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide
6455	449	0	0	False	5-chloro-n-(2-(4-(2-oxopyridin-1(2h)-yl)benzamido)ethyl)thiophene-2-carboxamide
6517	449	0	0	False	5-amino-naphtalene-2-monosulfonate
6560	449	0	0	False	o-[2-(1_3-dioxo-1_3-dihydro-2h-isoindol-2-yl)ethyl]_(4-iodophenyl)thiocarbamate
6835	449	0	0	False	2-[(1s)-1-benzyl-2-sulfanylethyl]-1h-imidazo[4_5-c]pyridin-5-ium
6917	449	0	0	False	3-[1-(4-bromo-phenyl)-2-methyl-propyl]-4-hydroxy-chromen-2-one
7008	449	0	0	False	5-(2-chlorophenyl)furan-2-carbohydrazide
7230	449	3	0	False	benactyzine
7340	449	0	0	False	3-allylfentanyl
8046	449	0	0	False	pritelivir
8195	449	0	0	False	evatanepag
8701	449	0	0	False	olumacostat_glasaretil
8873	449	1	0	False	sivelestat
8987	449	0	0	False	pf-00217830
9070	449	0	0	False	pruvanserin
9234	449	0	0	False	oxametacin
9796	449	15	0	False	win_55212-2
9981	449	3	0	True	methylparaben
10135	449	0	0	False	phenyl_hydrogen_sulfate
10220	449	18	0	False	ginsenoside_b2
10896	449	0	0	False	dapsone_hydroxylamine
11243	449	0	0	False	2-hydroxycarbamazepine
11283	449	0	0	False	4-anilino-4-oxobutanoic_acid
11879	449	0	0	False	10-hydroxycarbazepine_sulfate
12437	449	0	0	False	pci-45741_(m25)
12438	449	0	0	False	m20
12812	449	0	0	False	4-hydroxy_duloxetine
12848	449	0	0	False	4-(6-hydroxy-2-naphthyl)-_butan-2-one
73	450	25	145	True	ramipril
203	450	5	30	True	chlorthalidone
237	450	0	0	True	aminohippuric_acid
350	450	1	54	True	nabumetone
455	450	0	141	True	propranolol
645	450	0	0	True	metyrosine
709	450	15	40	True	trifluoperazine
1259	450	0	0	False	bezitramide
1438	450	0	0	False	trans-2-hydroxycinnamic_acid
1621	450	0	0	False	(2s_3s_8s_9s)-3-amino-9-methoxy-2_6_8-trimethyl-10-phenyldeca-4_6-dienoic_acid
1630	450	0	0	False	4-cdp-2-c-methyl-d-erythritol_2-phosphate
2080	450	0	0	False	3'-o-n-octanoyl-a-d-glucopyranosyl-b-d-fructofuranoside
2531	450	0	0	False	alpha-d-glucose_1_6-bisphosphate
2532	450	0	0	False	guanosine_5'-diphosphate_2':3'-cyclic_monophosphate
2574	450	0	0	False	n-[(1r)-1-(4-bromophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
2797	450	0	0	False	2-carboxypropyl-coenzyme_a
2854	450	0	0	False	sinapoyl_coenzyme_a
2992	450	0	0	False	dexpropranolol
2994	450	0	0	False	tyrosyladenylate
3343	450	0	0	False	adenosine_5'-phosphosulfate
3562	450	0	0	False	heptanyl-p-phenol
3596	450	0	0	False	tyrosinal
3632	450	0	0	False	alsterpaullone
3775	450	0	0	False	aceglutamide
3784	450	0	0	False	phosporic_acid_mono-[3_4-dihydroxy-5-(5-methoxy-benzoimidazol-1-yl)-tetrahydro-furan-2-ylmethyl]_ester
4032	450	0	0	False	heptyl_1-thiohexopyranoside
4334	450	0	0	False	n-[1-(4-carbamimidoyl-benzylcarbamoyl)-3-methylsulfanyl-propyl]-3-hydroxy-2-propoxyamino-butyramid
4403	450	3	0	False	amineptine
4677	450	0	0	False	slx-4090
5007	450	0	0	False	otamixaban
5224	450	0	0	False	(2s_3s_4e_6e_8s_9s)-3-amino-9-methoxy-2_6_8-trimethyl-10-phenyldeca-4_6-dienoic_acid
5376	450	0	0	False	5-[1-(4-methoxyphenyl)-1h-benzimidazol-6-yl]-1_3_4-oxadiazole-2(3h)-thione
5396	450	0	0	False	(3z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1h-pyrrol-2-ylmethylene)-1_3-dihydro-2h-indol-2-one
5493	450	0	0	False	5-aminonaphthalene-1-sulfonic_acid
5636	450	0	0	False	2_5-dichloro-n-[5-methoxy-7-(6-methoxypyridin-3-yl)-1_3-benzoxazol-2-yl]benzenesulfonamide
6146	450	0	0	False	(2r)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine
6147	450	0	0	False	(2s)-2-(4-chlorophenyl)-2-[4-(1h-pyrazol-4-yl)phenyl]ethanamine
6209	450	0	0	False	n-oxo-2-(phenylsulfonylamino)ethanamide
6237	450	0	0	False	n-[1h-indol-3-yl-acetyl]aspartic_acid
6238	450	0	0	False	n-[1h-indol-3-yl-acetyl]glycine_acid
6329	450	0	0	False	2-chloro-5-[(1s)-1-hydroxy-3-oxo-2h-isoindol-1-yl]benzenesulfonamide
6369	450	0	0	False	n-[12-(1h-imidazol-1-yl)dodecanoyl]-l-leucine
6516	450	0	0	False	2'-deoxy-n-(naphthalen-1-ylmethyl)guanosine_5'-(dihydrogen_phosphate)
6783	450	0	0	False	4-[5-(4-fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-3h-imidazol-4-yl]-pyridine
7246	450	5	46	True	ibrutinib
7268	450	0	2	True	nintedanib
7359	450	0	0	False	daledalin
8734	450	0	0	False	wp_1066
9041	450	0	0	False	mln8054
9481	450	0	0	False	mepixanox
9678	450	0	0	False	fipexide
9776	450	0	0	True	dotatate_gallium_ga-68
9877	450	1	0	False	emopamil
10212	450	0	0	False	amy-101
10612	450	0	0	False	snubh-nm-333_f-18
10677	450	0	0	False	4-hydroxyantipyrine
10686	450	0	0	False	n-acetylsulfamethoxazole
10902	450	0	0	False	5-hydroxypropafenone
11251	450	0	0	False	2_3-diene-valproic_acid-coa
11266	450	0	0	False	3-ene-valproic_acid_coa
11871	450	0	0	False	act-333679
11906	450	0	0	False	7-hydroxy-lasofoxifene_(7-ohlas)
11972	450	0	0	False	dosulepin_s-oxide
11985	450	0	0	False	o-desmethylbetrixaban
12000	450	0	0	False	(2s)-n-[(2s_3r)-4-[(3s_4as_8as)-3-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-[(quinolin-2-yl)formamido]butanediamide
12022	450	0	0	False	(s)-5-hydroxypropafenone
12435	450	0	0	False	pci-45773_(m35)
309	451	4	52	True	promazine
341	451	0	5	True	framycetin
675	451	4	0	True	tolazoline
693	451	0	0	True	sodium_lauryl_sulfate
984	451	7	24	True	atovaquone
1238	451	1	4	True	antipyrine
1291	451	1	0	False	dipipanone
1294	451	1	49	True	dichloralphenazone
1297	451	0	0	False	alphamethadol
1337	451	9	82	True	flunitrazepam
1414	451	0	0	True	isopropamide
1545	451	0	0	False	hemi-babim
2368	451	0	0	False	6-hydroxy-fad
2445	451	0	0	False	3-indolebutyric_acid
2553	451	0	0	False	guanosine
2633	451	0	0	False	n-(4-aminobutanoyl)-s-(4-methoxybenzyl)-l-cysteinylglycine
2801	451	0	0	False	5-[4-(1-carboxymethyl-2-oxo-propylcarbamoyl)-benzylsulfamoyl]-2-hydroxy-benzoic_acid
2845	451	0	0	False	dephospho_coenzyme_a
3044	451	0	0	False	l-tyrosinamide
3113	451	0	0	False	methyl_(2s)-2-[[2-[(3r)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate
3690	451	0	0	False	n-acetyl-l-glutamate
3786	451	0	0	False	di-stearoyl-3-sn-phosphatidylcholine
4378	451	0	0	False	salophen_iron_chelate
4544	451	1	0	False	vintafolide
4603	451	2	0	False	opc-14523
4770	451	0	0	False	suvn-502
5217	451	0	0	False	4-(2-amino-1-methyl-1h-imidazo[4_5-b]pyridin-6-yl)phenol
5297	451	0	0	False	5-(dodecylthio)-1h-1_2_3-triazole-4-carboxylic_acid
5705	451	0	0	False	2-(2-phenyl-3-pyridin-2-yl-4_5_6_7-tetrahydro-2h-isophosphindol-1-yl)pyridine
5909	451	0	0	False	4-[5-(3-iodo-phenyl)-2-(4-methanesulfinyl-phenyl)-1h-imidazol-4-yl]-pyridine
5918	451	0	0	False	4-{[4-(4-fluoro-3-methylphenyl)-1_3-thiazol-2-yl]amino}-2-hydroxybenzoic_acid
6258	451	0	0	False	1-(3-methylphenyl)-1h-benzimidazol-5-amine
6313	451	0	0	False	3-[(4'-cyanobiphenyl-4-yl)oxy]-n-hydroxypropanamide
6814	451	0	0	False	(1r)-1-(2-thienylacetylamino)-1-phenylmethylboronic_acid
7258	451	2	19	True	vortioxetine
7298	451	1	0	True	eslicarbazepine_acetate
7747	451	2	0	True	maropitant
7764	451	5	0	True	pimobendan
7803	451	0	0	True	difloxacin
7816	451	0	0	True	ractopamine
8245	451	1	0	False	vesnarinone
8481	451	0	0	False	ricolinostat
8561	451	0	0	False	tu-100
8646	451	0	0	False	rimacalib
8814	451	0	0	False	balaglitazone
8877	451	2	8	True	benperidol
9314	451	0	0	False	eprozinol
9505	451	1	0	False	phenoperidine
9521	451	0	0	False	tetragalacturonic_acid_hydroxymethylester
10196	451	0	0	False	balipodect
10362	451	0	0	False	ethaselen
10389	451	0	0	False	gw-468816
10609	451	0	0	False	citarinostat
10627	451	0	0	False	oxazolam
10793	451	0	0	False	3'-hydroxydiclofenac
10887	451	0	0	False	desethylamodiaquine
11022	451	0	0	False	4-hydroxymidazolam
11536	451	0	0	False	sorafenib_n-oxide
11590	451	0	0	False	3-carbamoyl-2-phenylpropionic_acid
11804	451	0	0	False	nateglinide_metabolite_m11-m12
11826	451	0	0	False	valdecoxib_metabolite_m3
11988	451	0	0	False	prt062803
12262	451	0	0	False	desethylaprindine
12631	451	0	0	False	n-desmethyl-4'-hydroxy_benztropine
12933	451	0	0	False	levocetirizine_4-chloro-4'-hydroxybenzhydryl_mercapturate_metabolites_(m10a_and_m10b)
46	452	0	7	True	tryptophan
233	452	11	121	True	cetirizine
720	452	27	85	True	donepezil
1016	452	7	143	True	nefazodone
1152	452	4	62	True	fosphenytoin
1261	452	0	0	False	dimenoxadol
1289	452	0	0	False	camazepam
1670	452	0	0	False	2-(2-hydroxy-5-methoxy-phenyl)-1h-benzoimidazole-5-carboxamidine
1925	452	0	0	False	1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine
1941	452	0	0	False	3-(4-fluorophenyl)-1-hydroxy-2-(pyridin-4-yl)-1h-pyrrolo[3_2-b]pyridine
2554	452	0	0	False	3-(4-benzenesulfonyl-thiophene-2-sulfonylamino)-phenylboronic_acid
2598	452	0	0	False	n7-(5'-phospho-alpha-ribosyl)-2-hydroxypurine
2629	452	0	0	False	heptanoic_acid
2673	452	0	0	False	4-[3-methylsulfanylanilino]-6_7-dimethoxyquinazoline
2823	452	3	0	True	flavin_adenine_dinucleotide
2899	452	0	0	False	d-tryptophan
3017	452	0	0	False	8-bromo-adenosine-5'-monophosphate
3323	452	0	0	False	4-(cytidine_5'-diphospho)-2-c-methyl-d-erythritol
3359	452	0	0	False	purine_riboside-5'-monophosphate
3361	452	0	0	False	p-chlorobenzoic_acid
4091	452	0	0	False	n-succinyl_methionine
4487	452	8	19	True	ezogabine
4685	452	0	0	False	ly-517717
4796	452	0	0	False	ispinesib
4856	452	1	43	True	levocetirizine
5195	452	0	0	False	3-(3-fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile
5253	452	0	0	False	(1r)-3-chloro-1-phenylpropan-1-ol
5306	452	0	0	False	2-hydroxy-5-{[(1e)-2-phenylethylidene]amino}-l-tyrosine
5540	452	0	0	False	n-{[(2s_3s)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-l-isoleucyl-l-isoleucine
5623	452	0	0	False	5-(2-chlorobenzyl)-2-furoic_acid
5746	452	0	0	False	n-(1-phenyl-propyl)-formamide
5777	452	0	0	False	(3as)-3a-hydroxy-7-methyl-1-phenyl-1_2_3_3a-tetrahydro-4h-pyrrolo[2_3-b]quinolin-4-one
5791	452	0	0	False	(2r)-4_4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic_acid
5964	452	0	0	False	2-[(1r)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1_3-dioxoisoindoline-5-carboxylic_acid
5999	452	0	0	False	1-benzyl-4-[(5_6-dimethoxy-1-indanon-2-yl)methyl]piperidine
6075	452	0	0	False	1-((1r)-1-(hydroxymethyl)-3-{6-[(3-phenylpropanoyl)amino]-1h-indol-1-yl}propyl)-1h-imidazole-4-carboxamide
6279	452	0	0	False	n~3~-[5-(1h-indol-6-yl)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2_3-diamine
6514	452	0	0	False	n-[2-(2-methyl-1h-indol-3-yl)ethyl]thiophene-2-carboxamide
6856	452	0	0	False	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1_5-a]pyrimidine
6868	452	0	0	False	(2r)-n-{4-[ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3_3_3-trifluoro-2-hydroxy-2-methylpropanamide
6927	452	0	0	False	4-[(3r)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide
7091	452	0	0	False	leukotriene_c4
7123	452	5	89	True	ponatinib
7536	452	0	0	True	avobenzone
7708	452	0	0	True	azaperone
7760	452	2	0	True	oxfendazole
8670	452	0	0	True	pentetreotide
8846	452	0	0	False	indoximod
9181	452	1	0	False	aminomethylbenzoic_acid
9243	452	0	0	False	flunoxaprofen
9301	452	0	0	False	difemerine
10695	452	0	0	False	cgp72383
10715	452	0	0	False	r-8-hydroxywarfarin
10762	452	0	0	False	n-desmethylpromazine
10791	452	0	0	False	4'-hydroxydiclofenac
10809	452	0	0	False	6-hydroxymethyletoricoxib
10908	452	0	0	False	n-desmethyldoxepin
10961	452	0	0	False	noracymethadol
11019	452	0	0	False	3_4-dihydroxy-tamoxifen
11287	452	0	0	False	4-ene-valproic_acid_coa
11319	452	0	0	False	6-thioguanylic_acid
11469	452	0	0	False	nor-levomethadyl_acetate_(nor-laam)
11611	452	0	0	False	4-(o-carboxybenzamido)glutaramic_acid
11643	452	0	0	False	thioguanosine_monophosphate
11745	452	0	0	False	n-dealkylated_5-hydroxymethyl_tolterodine
11764	452	0	0	False	5-carboxylumiracoxib_(m11)
11858	452	0	0	False	bibf_1202
11898	452	0	0	False	benzoyloxyl_radical
12070	452	0	0	False	6-hydroxyastemizole
12098	452	0	0	False	4'-oh-diclofenac
12180	452	0	0	False	n-desmethyl_promazine
12185	452	0	0	False	(r)-mianserin__8-hydroxy
12776	452	0	0	False	alpha_4-dihydroxy-alprazolam
714	453	7	81	True	loperamide
1110	453	9	19	True	bepridil
1433	453	47	0	False	genistein
2761	453	0	0	False	alpha-ribazole-5'-phosphate_derivative
3306	453	0	0	False	acetic_acid_salicyloyl-amino-ester
3510	453	0	0	False	alpha-adenosine_monophosphate
3843	453	0	0	False	2-amino-6-aminomethyl-8-phenylsulfanylmethyl-3h-quinazolin-4-one
4061	453	0	0	False	3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5_6-dihydro-4h-pyrrolo[1_2-b]pyrazole
4324	453	0	0	False	2-[(3_5-dichloro-4-trioxidanylphenyl)amino]benzoic_acid
4367	453	0	0	False	1-methyl-3-phenyl-1h-pyrazol-5-ylsulfamic_acid
4681	453	0	0	False	nps-2143
5213	453	0	0	False	1-decane-sulfonic-acid
5268	453	0	0	False	n'-[(1e)-(3_5-dibromo-2_4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
5338	453	0	0	False	n-{3-[5-(1h-1_2_4-triazol-3-yl)-1h-indazol-3-yl]phenyl}furan-2-carboxamide
5637	453	0	0	False	2-[(phenylsulfonyl)amino]-5_6_7_8-tetrahydronaphthalene-1-carboxylic_acid
5648	453	0	0	False	n-(cyclopropylmethyl)-4-(methyloxy)-3-({5-[3-(3-pyridinyl)phenyl]-1_3-oxazol-2-yl}amino)benzenesulfonamide
5667	453	21	0	False	apigenin
5866	453	0	0	False	(2z)-2-cyano-n-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
5943	453	0	0	False	decyl(dimethyl)phosphine_oxide
6053	453	0	0	False	5-[2-(trifluoromethyl)phenyl]-2-furoic_acid
6596	453	0	0	False	3-oxo-n-[(3s)-2-oxopyrrolidin-3-yl]dodecanamide
6597	453	0	0	False	n-3-oxo-dodecanoyl-l-homoserine_lactone
7009	453	0	0	False	imidazo[2_1-a]isoquinoline-2-carbohydrazide
7927	453	0	0	False	antineoplaston_a10
8559	453	14	0	False	ketanserin
8887	453	0	0	False	omigapil
9077	453	0	0	False	4sc-202
9222	453	0	0	False	olaflur
10226	453	0	0	False	abx-464
10662	453	0	0	False	fluazuron
10815	453	0	0	False	2-ethyl-1_5-dimethyl-3_3-diphenylpyrrolinium_(eddp)
10848	453	0	0	False	desmethylcyclobenzaprine
10980	453	0	0	False	4-hydroxytriazolam
11223	453	0	0	False	6-thioinosine_5'-monophosphate
11294	453	0	0	False	4-hydroxytamoxifen_sulfate
11489	453	0	0	False	penicilloic_acid
12132	453	0	0	False	n-desmethylindiplon
12266	453	0	0	False	o-demethylencainide
12275	453	0	0	False	8-hydroxymianserin
12607	453	0	0	False	nitrophentermine
12970	453	0	0	False	4'-hydroxy-butyrfentanyl
553	454	9	25	True	pirenzepine
576	454	0	49	True	fluorescein
687	454	7	74	True	tropicamide
951	454	31	109	True	orlistat
1137	454	0	0	True	carbetocin
1312	454	0	0	False	benzethidine
1328	454	0	0	True	carfentanil
1539	454	0	0	False	4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1h-imidazol-2-yl]-piperidine
2076	454	0	0	False	mdl_101_146
2526	454	0	0	False	fr236913
3237	454	0	0	False	7-methyl-5'-guanylic_acid
3351	454	0	0	False	6-aza_uridine_5'-monophosphate
3512	454	0	0	False	s-(n-hydroxy-n-bromophenylcarbamoyl)glutathione
3628	454	0	0	False	2-(3'-methoxyphenyl)_benzimidazole-4-carboxamide
3757	454	0	0	False	lauryl_dimethylamine-n-oxide
3965	454	0	0	False	di-linoleoyl-3-sn-phosphatidylcholine
4142	454	1	0	False	inosinic_acid
4584	454	0	0	False	chlorfenson
4687	454	2	0	False	elesclomol
5089	454	0	0	False	ginsenoside_c
5090	454	7	0	False	ginsenoside_rb1
5108	454	0	0	True	carglumic_acid
5167	454	0	0	False	4-[(7-oxo-7h-thiazolo[5_4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide
5230	454	0	0	False	d-leucyl-n-(3-chlorobenzyl)-l-prolinamide
5348	454	0	0	False	(5-chloro-2-{[(3-nitrobenzyl)amino]carbonyl}phenoxy)acetic_acid
5356	454	0	0	False	2-(cyclohexylamino)benzoic_acid
5536	454	0	0	False	(2_2-diphosphonoethyl)(dodecyl)dimethylphosphonium
5580	454	0	0	False	3-(9-hydroxy-1_3-dioxo-4-phenyl-2_3-dihydropyrrolo[3_4-c]carbazol-6(1h)-yl)propanoic_acid
5585	454	0	0	False	n-[7-(3-aminophenyl)-5-methoxy-1_3-benzoxazol-2-yl]-2_5-dichlorobenzenesulfonamide
5646	454	0	0	False	2-(4-nitrophenyl)acetic_acid
5725	454	0	0	False	(5s)-1-benzyl-3-(1_1-dioxido-1_2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1_5-dihydro-2h-pyrrol-2-one
5748	454	0	0	False	1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)-6-hydroxypyrimidine-2_4(1h_3h)-dione
5864	454	0	0	False	(2z)-2-cyano-n-(2_2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide
5935	454	0	0	False	octyl_3-deoxy-2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-xylo-hexopyranoside
6052	454	0	0	False	5-(2_5-dichlorophenyl)-2-furoic_acid
6298	454	0	0	False	(3z)-1-[(6-fluoro-4h-1_3-benzodioxin-8-yl)methyl]-4-phenyl-1h-indole-2_3-dione_3-oxime
6476	454	0	0	False	2-((3'_5'-dimethoxy-4'-hydroxyphenyl)azo)benzoic_acid
6485	454	0	0	False	4-(1_3-benzoxazol-2-yl)-2_6-dimethylphenol
6624	454	0	0	False	6-[4-(2-fluorophenyl)-1_3-oxazol-5-yl]-n-(1-methylethyl)-1_3-benzothiazol-2-amine
6675	454	0	0	False	s-(2-{[n-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3_3-dimethylbutanoyl)-beta-alanyl]amino}ethyl)_heptanethioate
6793	454	0	0	False	5-(2_3-dichlorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1_5-a]pyrimidin-7-amine
6833	454	0	0	False	3-[(4-chloroanilino)sulfonyl]thiophene-2-carboxylic_acid
7177	454	0	1	False	fominoben
7214	454	1	0	False	chlorphenoxamine
7660	454	0	0	True	methyl_undecenoyl_leucinate
7806	454	0	0	True	flunixin
7958	454	2	16	True	ebastine
7998	454	0	0	True	capmatinib
8275	454	0	0	False	mitometh
8502	454	0	0	False	polmacoxib
8568	454	0	0	False	biphenyl_dimethyl_dicarboxylate
8929	454	0	0	False	merotocin
9122	454	0	0	False	olmutinib
9238	454	1	0	False	delapril
9356	454	0	0	False	prolintane
9893	454	3	0	False	asiaticoside
10294	454	0	0	False	flurbiprofen_axetil
10334	454	0	0	False	flufenoxuron
10496	454	0	0	False	vs-4718
10553	454	0	0	False	carfentanil__c-11
10580	454	0	0	False	acalisib
11516	454	0	0	False	valproic_acid_coa
11740	454	0	0	False	zafirlukast_metabolite_m2
12058	454	0	0	False	15-hete
12075	454	0	0	False	9-hydroxycarbamazepine
12090	454	0	0	False	3-hydroxycoumarin
12561	454	0	0	False	moclobemide_m9
12830	454	0	0	False	6-hydroxy-naphthylacetic_acid
209	455	42	194	True	acetaminophen
426	455	38	52	True	benazepril
812	455	2	0	True	diethylpropion
1415	455	11	0	True	pargyline
1594	455	0	0	False	l-n(omega)-nitroarginine-2_4-l-diaminobutyric_amide
1607	455	0	0	False	(9r_10r)-9-(s-glutathionyl)-10-hydroxy-9_10-dihydrophenanthrene
1703	455	0	0	False	(s)-blebbistatin
2407	455	0	0	False	n-(m-trifluoromethylphenyl)_phenoxazine-4_6-dicarboxylic_acid
2479	455	0	0	False	dodecane-trimethylamine
2602	455	0	0	False	5-(2-chlorophenyl)furan-2-carboxylic_acid
2894	455	0	0	False	fr233623
3063	455	0	0	False	3-(p-tolyl)propionic_acid
3139	455	0	0	False	8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide
3255	455	0	0	False	3-hydroxybutyryl-coenzyme_a
3258	455	0	0	True	ribostamycin
3284	455	0	0	False	cra_1144
3420	455	0	0	False	(3-{3-[[2-chloro-3-(trifluoromethyl)benzyl](2_2-diphenylethyl)amino]propoxy}phenyl)acetic_acid
3454	455	0	0	False	(3s)-3_4-di-n-hexanoyloxybutyl-1-phosphocholine
3572	455	0	0	False	n-acetyl-d-glucosamine-6-phosphate
3683	455	0	0	False	2'_3'-dideoxy-3'-fluoro-urididine-5'-diphosphate
3837	455	0	0	False	(hydroxyethyloxy)tri(ethyloxy)octane
4222	455	0	0	False	biotinol-5-amp
4494	455	0	0	False	reglitazar
4657	455	0	0	False	blarcamesine
4946	455	2	0	False	muraglitazar
5549	455	0	0	False	3-{[(1r)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1_2-dione
5680	455	0	0	False	2-[n'-(4-amino-butyl)-hydrazinocarbonyl]-pyrrolidine-1-carboxylic_acid_benzyl_ester
5874	455	0	0	False	3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1h-indole-6-carboxylic_acid
5905	455	0	0	False	n-hexanoyl-l-homocysteine
6127	455	0	0	False	(z)-3-benzyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxothiazolidin-4-one
6231	455	0	0	False	n-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
6360	455	0	0	False	2-[4-({[(3_5-dichlorophenyl)amino]carbonyl}amino)phenoxy]-2-methylpropanoic_acid
6408	455	0	0	False	3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2_3-dihydro-1h-indole
6428	455	0	0	False	7-(2_5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6_5-d]pyrimidin-2-amine
6545	455	0	0	False	6-amino-4-(2-phenylethyl)-1_7-dihydro-8h-imidazo[4_5-g]quinazolin-8-one
6709	455	0	0	False	4-{[(2r)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1_3-diol
6776	455	0	0	False	[4-({5-(aminocarbonyl)-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic_acid
6840	455	0	0	False	4-bromo-2-{[(2r)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline
6863	455	4	2	True	triclosan
7202	455	0	0	False	ditazole
7228	455	0	0	False	benzoctamine
7293	455	0	0	True	colfosceril_palmitate
7345	455	0	0	False	lofentanil
7682	455	0	0	False	nonivamide
8099	455	1	0	False	varespladib
8379	455	31	0	True	edaravone
8585	455	0	0	False	alagebrium
8784	455	0	0	False	z-160
8809	455	0	0	False	e-6005
9026	455	0	0	False	fenoverine
9191	455	0	0	False	prifinium
9349	455	0	0	False	proglumide
10606	455	0	0	False	vidofludimus
10675	455	0	0	False	edaravone
10745	455	0	0	False	desmethylazelastine
10807	455	0	0	False	hydroxycelecoxib
10869	455	0	0	False	acetaminophen
11765	455	0	0	False	lumiracoxib_metabolite_m15
12007	455	0	0	False	(r)-azelastine__n-desmethyl
12076	455	0	0	False	hydroxy_celecoxib
13041	455	0	0	False	nintedanib_m4_metabolite
13064	455	0	0	False	oxcarbazepine_sulfate_metabolite
86	456	5	45	True	phentermine
111	456	1	48	True	eletriptan
789	456	1	0	True	anileridine
837	456	0	46	True	bromfenac
1382	456	5	54	True	solifenacin
2101	456	0	0	False	n-acetyl-l-citrulline
2362	456	0	0	False	n-(5-cyclopropyl-1h-pyrazol-3-yl)benzamide
2493	456	0	0	False	p-anisic_acid
2620	456	0	0	False	k201
2668	456	0	0	False	n1_n14-bis((s-methyl)isothioureido)tetradecane
2955	456	0	0	False	2'_4_4'-trihydroxychalcone
2999	456	0	0	False	s-(n-hydroxy-n-iodophenylcarbamoyl)glutathione
3336	456	2	0	False	vanoxerine
3894	456	0	0	False	5-phosphoribosyl-1-(beta-methylene)_pyrophosphate
4525	456	0	0	False	cimicoxib
4889	456	0	0	False	indisulam
4896	456	1	115	True	ambrisentan
5737	456	0	0	False	2-[(2-methoxy-5-methylphenoxy)methyl]pyridine
5768	456	0	0	False	2-({5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}amino)-n-methylbenzamide
5800	456	0	0	False	5-bromoindirubin
5851	456	0	0	False	n-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide
5916	456	0	0	False	phenyl-5-(1h-pyrazol-3-yl)-1_3-thiazole
5983	456	0	0	False	n-(dibenzo[b_d]thiophen-3-ylsulfonyl)-l-valine
6057	456	0	0	False	(5s)-3-anilino-5-(2_4-difluorophenyl)-5-methyl-1_3-oxazolidine-2_4-dione
6194	456	0	0	False	(2s)-2-hydroxyoctanoic_acid
6236	456	1	0	False	indoleacetic_acid
6260	456	0	0	False	1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide
6436	456	0	0	False	3-chloro-5-[2-chloro-5-(1h-indazol-3-ylmethoxy)phenoxy]benzonitrile
6496	456	0	0	False	2-((3'-tertbutyl-4'-hydroxyphenyl)azo)benzoic_acid
6603	456	0	0	False	methyl_(2z)-3-methoxy-2-{2-[(e)-2-phenylvinyl]phenyl}acrylate
7198	456	0	8	False	eprazinone
7620	456	0	0	True	sulisobenzone
7912	456	0	0	False	iferanserin
8136	456	0	0	True	duvelisib
8166	456	2	0	True	benznidazole
8199	456	0	0	False	serdemetan
9855	456	0	0	False	darglitazone
10311	456	0	0	False	gtx-758
10354	456	0	0	False	litoxetine
10710	456	0	0	False	s-6-hydroxywarfarin
10713	456	0	0	False	r-6-hydroxywarfarin
10808	456	0	0	False	etoricoxib_1'-n'-oxide
11066	456	0	0	False	indole_acetic_acid
11986	456	0	0	False	n-desmethylbetrixaban
12400	456	0	0	False	10-hydroxydidemethylimipramine
221	457	145	130	True	indomethacin
463	457	6	9	True	mazindol
1098	457	1	96	True	saquinavir
1500	457	1	0	True	cetrimonium
1604	457	0	0	False	tryptophanyl-5'amp
1637	457	0	0	False	ru79256
2053	457	0	0	False	alpha-d-galactose-1-phosphate
2422	457	0	0	False	3'-uridinemonophosphate
2462	457	0	0	False	indolylpropionic_acid
2503	457	0	0	False	arabinouridine_3'-phosphate
2539	457	0	0	False	alpha-d-glucose-1-phosphate
2562	457	0	0	False	d-mannose_1-phosphate
2864	457	0	0	False	n-octanoyl-b-d-fructofuranosyl-a-d-glucopyranoside_sucrose_monocaproylate
2908	457	0	0	False	(4'-{[allyl(methyl)amino]methyl}-1_1'-biphenyl-4-yl)(4-bromophenyl)methanone
3070	457	0	0	False	gamma-glutamylcysteine
3075	457	0	0	False	deoxyuridine-5'-diphosphate
3134	457	0	0	False	1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenylpyrazole
3147	457	0	0	False	3-pyridin-4-yl-2_4-dihydro-indeno[1_2-.c.]pyrazole
3211	457	0	0	False	1-o-octyl-2-heptylphosphonyl-sn-glycero-3-phosphoethanolamine
3260	457	0	0	False	modified_acarbose_hexasaccharide
3274	457	0	0	False	lpc-ether
3341	457	0	0	False	1-hydroxy-2-s-glutathionyl-3-para-nitrophenoxy-propane
3826	457	0	0	True	didecyldimethylammonium
4145	457	0	0	False	formic_acid_benzyl_ester
4472	457	0	0	False	itopride
5237	457	0	0	False	2-(2-methylphenyl)-1h-indole-6-carboximidamide
5776	457	0	0	False	(3as)-3a-hydroxy-5-methyl-1-phenyl-1_2_3_3a-tetrahydro-4h-pyrrolo[2_3-b]quinolin-4-one
6041	457	0	0	False	3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic_acid
6289	457	0	0	False	n-anthracen-2-yl-5-methyl[1_2_4]triazolo[1_5-a]pyrimidin-7-amine
6414	457	0	0	False	5-hydroxynaphthalene-1-sulfonamide
6543	457	0	0	False	2-(toluene-4-sulfonyl)-2h-benzo[d][1_2_3]diazaborinin-1-ol
6557	457	0	0	False	o-[2-(1_3-dioxo-1_3-dihydro-2h-isoindol-2-yl)ethyl]_(4-bromophenyl)thiocarbamate
6631	457	0	0	False	2-phenylamino-4-methyl-5-acetyl_thiazole
6635	457	0	0	False	1-(9-ethyl-9h-carbazol-3-yl)-n-methylmethanamine
7034	457	0	0	False	4-methyl-2h-chromen-2-one
7777	457	0	0	True	tepoxalin
7852	457	0	0	True	normethadone
7955	457	0	0	False	vonoprazan
8108	457	1	0	False	6-o-benzylguanine
8542	457	17	0	False	nitroaspirin
8883	457	0	0	False	mavatrep
9013	457	0	0	False	tucaresol
9023	457	0	0	False	aminaphthone
9283	457	0	0	False	styramate
9344	457	0	0	False	flutrimazole
9848	457	0	0	False	thiosalicylic_acid
9894	457	0	0	True	betiatide
10636	457	0	0	False	madecassoside
10711	457	0	0	False	s-4'-hydroxywarfarin
10712	457	0	0	False	r-4'-hydroxywarfarin
10888	457	0	0	False	10_11-epoxycarbamazepine
11276	457	0	0	False	3-oxo-valproic_acid_coa
11497	457	0	0	False	phenytoin_methylcatechol
11562	457	0	0	False	bortezomib_metabolite_m33
12265	457	0	0	False	n-demethylencainide
12329	457	0	0	False	o-desmethyl-des-4-chlorobenzoyl
12394	457	0	0	False	4-hydroxyphenylacetic_acid
12637	457	0	0	False	monoiodothyronine
87	458	1	0	True	indecainide
232	458	1	0	True	metixene
666	458	33	115	True	naproxen
790	458	1	1	True	phenformin
908	458	17	77	True	selegiline
1018	458	35	22	True	desipramine
1039	458	8	7	True	kanamycin
2184	458	0	0	False	undecyl-phosphinic_acid_butyl_ester
2190	458	0	0	False	2-(2-hydroxy-phenyl)-1h-indole-5-carboxamidine
2403	458	0	0	False	pantoyl_adenylate
2714	458	0	0	False	1h-benoximidazole-2-carboxylic_acid
3077	458	0	0	False	3-thiaoctanoyl-coenzyme_a
3699	458	0	0	False	2'_4'-dinitrophenyl-2deoxy-2-fluro-b-d-cellobioside
3756	458	0	0	False	i-coeleneterazine
3959	458	0	0	False	3'-deoxy_3'-amino_adenosine-5'-diphosphate
4104	458	0	0	False	malonyl-coa
4182	458	0	0	False	phenylaminoimidazo(1_2-alpha)pyridine
4296	458	0	0	False	1-{4-[4-amino-6-(4-methoxyphenyl)furo[2_3-d]pyrimidin-5-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
4921	458	3	0	False	sarizotan
5033	458	0	0	False	laquinimod
5215	458	0	0	False	1-(4-fluorophenyl)-n-[3-fluoro-4-(1h-pyrrolo[2_3-b]pyridin-4-yloxy)phenyl]-2-oxo-1_2-dihydropyridine-3-carboxamide
5313	458	0	0	False	n-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
5403	458	0	0	False	2-{[n-(2-acetyl-5-chloro-4-fluorophenyl)glycyl]amino}benzoic_acid
5499	458	0	0	False	(2s)-2-(3-carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic_acid
5653	458	2	0	False	acifluorfen
5738	458	0	0	False	4-[(5-methoxy-2-methylphenoxy)methyl]pyridine
5781	458	0	0	False	(r)-(+)_5(9bh)-oxo-9b-phenyl-2_3-dihydrothiazolo[2_3-a]isoindol-3-carboxylic_acid_methyl_ester
5981	458	0	0	False	[(1s)-1-(5-chloro-1-benzothien-3-yl)-2-(2-naphthylamino)-2-oxoethyl]phosphonic_acid
6006	458	0	0	False	3-chloro-2-(4-hydroxyphenyl)-2h-indazol-5-ol
6015	458	0	0	False	3-(4-hydroxy-phenyl)pyruvic_acid
6630	458	0	0	False	2-(2-quinolin-3-ylpyridin-4-yl)-1_5_6_7-tetrahydro-4h-pyrrolo[3_2-c]pyridin-4-one
6653	458	0	0	False	4_5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1h-imidazole
6887	458	0	0	False	n-(4-chlorophenyl)-1_2_3_4-tetrahydroisoquinoline-7-sulfonamide
7369	458	3	0	False	netoglitazone
8831	458	0	0	False	daniquidone
9058	458	0	0	False	roluperidone
9322	458	1	0	False	oxypertine
9412	458	1	0	False	budipine
10370	458	0	0	False	inarigivir
10450	458	0	0	False	capromorelin
10483	458	0	0	False	vercirnon
10573	458	0	0	False	pf-114
10858	458	0	0	False	desipramine
10971	458	0	0	False	hydroxy_ritonavir
11380	458	0	0	False	dinor-levomethadyl_acetate
11644	458	0	0	False	methyl-thioguanosine_monophosphate
11827	458	0	0	False	valdecoxib_metabolite_m9
12182	458	0	0	False	2-oxoquazepam
12629	458	0	0	False	4'-hydroxybenztropine
12932	458	0	0	False	levocetirizine_n-dealkylated_and_aromatic_hydroxylated_metabolite_(m9)
800	459	4	111	True	cyclobenzaprine
820	459	142	214	True	acetylsalicylic_acid
944	459	50	147	True	atorvastatin
1553	459	0	0	False	coa-s-trimethylene-acetyl-tryptamine
2243	459	0	0	False	indirubin-5-sulphonate
2803	459	0	0	False	mant-adp
2884	459	0	0	False	4-aminohydrocinnamic_acid
3072	459	2	0	False	4-hydroxycoumarin
3116	459	0	0	False	n2-[(benzyloxy)carbonyl]-n1-[(3s)-1-cyanopyrrolidin-3-yl]-l-leucinamide
3186	459	0	0	False	z-pro-prolinal
3334	459	0	0	False	succinyl-coenzyme_a
3398	459	0	0	False	morpholine-4-carboxylic_acid_[1s-(2-benzyloxy-1r-cyano-ethylcarbamoyl)-3-methyl-butyl]amide
3471	459	0	0	False	p1-(5'-adenosyl)p5-(5'-(3'azido-3'-deoxythymidyl))pentaphosphate
3597	459	0	0	False	1-[glycerolylphosphonyl]-2-[8-(2-hexyl-cyclopropyl)-octanal-1-yl]-3-[hexadecanal-1-yl]-glycerol
3836	459	0	0	False	n-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-benzyloxycarbonyl-piperazine-2-carboxamide
3847	459	0	0	False	5-methyluridine_5'-monophosphate
4022	459	0	0	False	modified_acarbose_pentasaccharide
4351	459	0	0	False	(r)-1-phenylethanol
4377	459	0	0	False	salophen-10-carboxylate_iron_chelate
4539	459	4	1	False	lobeline
5226	459	0	0	False	2-(2_6-dichlorophenyl)-1_3-benzoxazole-6-carboxylic_acid
5236	459	0	0	False	(4-fluorophenyl)(pyridin-4-yl)methanone
5282	459	0	0	False	3-[3-(3-methyl-6-{[(1s)-1-phenylethyl]amino}-1h-pyrazolo[4_3-c]pyridin-1-yl)phenyl]propanamide
5736	459	0	0	False	[1-hydroxy-2-(1_1':3'_1''-terphenyl-3-yloxy)ethane-1_1-diyl]bis(phosphonic_acid)
5831	459	0	0	False	3-(3-methoxybenzyl)-1h-pyrrolo[2_3-b]pyridine
6162	459	0	0	False	lauryl_alcohol_diphosphonic_acid
6524	459	0	0	False	(2s)-4-(2_5-difluorophenyl)-n_n-dimethyl-2-phenyl-2_5-dihydro-1h-pyrrole-1-carboxamide
6616	459	0	0	False	4-chloro-n-(3-methoxypropyl)-n-[(3s)-1-(2-phenylethyl)piperidin-3-yl]benzamide
6754	459	0	0	False	n-hydroxy-2-[4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-yl]-acetamide
6807	459	0	0	False	(1r)-1-phenylethyl_4-(acetylamino)benzylphosphonate
6918	459	0	0	False	4-hydroxy-7-methoxy-3-(1-phenyl-propyl)-chromen-2-one
7039	459	0	0	False	1-phenyl-1h-pyrazole-4-carboxylic_acid
7152	459	3	4	True	isoxsuprine
7161	459	1	9	False	indoramin
7637	459	0	0	False	octacosanol
7761	459	1	0	True	phenothiazine
7812	459	0	0	True	masitinib
8107	459	0	0	False	guadecitabine
8415	459	1	0	False	darexaban
8477	459	1	0	False	sotrastaurin
8624	459	0	1	False	indobufen
8759	459	5	24	True	perazine
8919	459	0	0	False	chlorsulfaquinoxaline
9315	459	0	0	False	neocitrullamon
9418	459	0	0	False	aloxiprin
9461	459	0	0	False	sulfamazone
9468	459	0	0	False	benzoxonium
9541	459	0	0	False	pridinol
9701	459	0	0	False	xenysalate
9721	459	0	0	False	caroverine
9755	459	2	32	True	lormetazepam
10364	459	0	0	False	tas-117
10534	459	2	0	False	biochanin_a
10656	459	0	0	True	ethyl_salicylate
10708	459	0	0	False	8-hydroxy-r-phenprocoumon
11240	459	0	0	False	2-ene-valproic_acid_coa
11412	459	0	0	False	hydroxyphenytoin
11540	459	0	0	False	s-7-hydroxywarfarin
11757	459	0	0	False	atorvastatin_lactone
12972	459	0	0	False	ω-hydroxy-butyrfentanyl
465	460	6	88	True	lactulose
722	460	5	29	True	clofazimine
771	460	0	0	True	benzylpenicilloyl_polylysine
778	460	0	0	True	methdilazine
940	460	2	91	True	atazanavir
1015	460	2	25	True	flavoxate
1343	460	0	2	False	fenproporex
1501	460	0	0	False	thio-maltopentaose
1524	460	0	0	False	n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic_acid_methyl_ester
1757	460	0	0	False	2-[3_4-dihydroxy-2-hydroxymethyl-5-(2-hydroxy-nonyl)-tetrahydro-furan-2-yloxy]-6-hydroxymethyl-tetra_hydro-pyran-3_4_5-triol
1812	460	0	0	False	3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone
1982	460	0	0	False	8-benzyl-2-hydroperoxy-2-(4-hydroxy-benzyl)-6-(4-hydroxy-phenyl)-2h-imidazo[1_2-a]pyrazin-3-one
2067	460	0	0	False	flavin-n7_protonated-adenine_dinucleotide
2087	460	0	0	False	4-{[1-methyl-5-(2-methyl-benzoimidazol-1-ylmethyl)-1h-benzoimidazol-2-ylmethyl]-amino}-benzamidine
2358	460	0	0	False	n-dodecyl-n_n-dimethyl-3-ammonio-1-propanesulfonate
2405	460	0	0	False	6-aminohexyl-uridine-c1_5'-diphosphate
2473	460	2	0	True	sucrose
2741	460	0	0	False	acetoacetyl-coa
2866	460	0	0	False	(r)-3-hydroxydecanoyl-coa
2933	460	0	0	False	2'_6'-dichloro-biphenyl-2_6-diol
3009	460	0	0	False	coa-s-acetyl_5-bromotryptamine
3470	460	0	0	False	n-(2_6-diflouro-benzyl)-4-sulfamoyl-benzamide
3729	460	0	0	False	n-coeleneterazine
3732	460	0	0	False	guanosine-3'-monophosphate-5'-diphosphate
3849	460	0	0	False	cra_23653
4081	460	0	0	False	acedoben
4156	460	0	0	False	1-methyl-2-quinolone
4204	460	0	0	False	4-(2-hydroxybenzylamino)-n-(3-(4-fluorophenoxy)phenyl)piperidine-1-sulfonamide
4246	460	0	0	False	n-methyl-n-[(1r)-1-methyl-2-phenylethyl]prop-2-en-1-amine
4797	460	0	0	False	solabegron
4977	460	1	0	False	cetilistat
5077	460	3	15	True	aceclofenac
5263	460	0	0	False	n-(3-cyclopropyl-1h-pyrazol-5-yl)-2-(2-naphthyl)acetamide
5315	460	0	0	False	2-(4-fluorophenyl)-n-{[3-fluoro-4-(1h-pyrrolo[2_3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
5589	460	0	0	False	n-cyclopropyl-6-[(6_7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
5694	460	0	0	False	(s)-atrolactic_acid
5780	460	0	0	False	(r)-(+)9b-(3-methyl)phenyl-2_3-dihydrothiazolo[2_3-a]isoindol-5(9bh)-one
6396	460	0	0	False	3-pyridin-4-yl-1h-indazole
6420	460	0	0	False	{[(2_6-difluorophenyl)carbonyl]amino}-n-(4-fluorophenyl)-1h-pyrazole-3-carboxamide
6489	460	0	0	False	2-(4-dimethylaminophenyl)diazenylbenzoic_acid
6816	460	0	0	False	n-(3-carboxypropanoyl)-l-norvaline
6822	460	0	0	False	3-fluoro-n-[1-(4-fluorophenyl)-3-(2-thienyl)-1h-pyrazol-5-yl]benzenesulfonamide
7321	460	2	93	True	iron_sucrose
7387	460	0	0	False	clonixin
7546	460	0	93	True	sodium_ferric_gluconate_complex
7598	460	0	12	True	oxyquinoline
8515	460	0	0	False	usistapide
9034	460	0	0	False	cp-195543
9163	460	1	0	True	dibenzepin
9606	460	0	0	False	quifenadine
10309	460	0	0	False	ctt-1057
10452	460	0	0	False	esaxerenone
10592	460	0	0	False	bfpet_f-18
10699	460	0	0	False	tamoxifen_n-oxide
10706	460	0	0	False	4'-hydroxy-r-phenprocoumon
10707	460	0	0	False	6-hydroxy-r-phenprocoumon
11246	460	0	0	False	2-hydroxyiminostilbene
11386	460	0	0	False	endoxifen_sulfate
11612	460	0	0	False	2-(o-carboxybenzamido)glutaramic_acid
11647	460	0	0	False	thiodeoxyguanosine_diphosphate
12039	460	0	0	False	n-hydroxyaniline
12142	460	0	0	False	4_8-dihydroxy-n_1-dimethyl-2-oxo-n-phenyl-1_2-dihydroquinoline-3-carboxamide
12143	460	0	0	False	4_7-dihydroxy-n_1-dimethyl-2-oxo-n-phenyl-1_2-dihydroquinoline-3-carboxamide
12147	460	0	0	False	4-hydroxy-n-(4-hydroxyphenyl)-n_1-dimethyl-2-oxo-1_2-dihydroquinoline-3-carboxamide
12280	460	0	0	False	2ethylidene-1_5-dimethyl-3_3-diphenylpyrolidine
12873	460	0	0	False	meclizine_metabolite_m1
12897	460	0	0	False	iminoquinione
12917	460	0	0	False	2'-(glutathion-s-yl)-deschloro-diclofenac
12979	460	0	0	False	α-tamoxifen_sulfate
12981	460	0	0	False	tamoxifen-n-oxide
6	461	12	116	True	daptomycin
288	461	26	191	True	sorafenib
365	461	8	119	True	duloxetine
438	461	21	69	True	piroxicam
1364	461	0	0	False	3-methylfentanyl
1593	461	0	0	False	2-{[4-(2-acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-yl]-oxalyl-amino}-benzoic_acid
1676	461	0	0	False	2_2':6'_2''-terpyridine_platinum(ii)
1697	461	0	0	False	guanosine-2'-monophosphate
1728	461	0	0	False	trifluoroacetonyl_coenzyme_a
1818	461	0	0	False	4-deoxylactose
2381	461	0	0	False	je-2147
2904	461	0	0	False	adenosine-5'-propylphosphate
2970	461	0	0	False	pterin_cytosine_dinucleotide
3544	461	0	0	False	4-(3-pyridin-2-yl-1h-pyrazol-4-yl)quinoline
3545	461	0	0	False	feruloyl_coenzyme_a
3993	461	0	0	False	2-[2-(1_3-dioxo-1_3-dihydro-2h-isoindol-2-yl)ethyl]-4-(4'-ethoxy-1_1'-biphenyl-4-yl)-4-oxobutanoic_acid
4050	461	0	0	False	afimoxifene
4379	461	5	0	True	benoxaprofen
4463	461	0	0	True	flibanserin
4521	461	0	0	False	tg-100801
4630	461	0	0	False	elacytarabine
4765	461	0	0	False	l-aminocarnityl-succinyl-leucyl-argininal-diethylacetal
5435	461	0	0	False	5-(4-phenoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-2_4_6(2h_3h)-trione
5551	461	0	0	False	3-(6-hydroxy-naphthalen-2-yl)-benzo[d]isooxazol-6-ol
5850	461	0	0	False	n'-(5-chlorobenzofuran-2-carbonyl)-2-(trifluoromethyl)benzenesulfonohydrazide
5881	461	0	0	False	3-[4-(2-methyl-imidazo[4_5-c]pyridin-1-yl)benzyl]-3h-benzothiazol-2-one
5904	461	0	0	False	s-{3-[(4-anilinoquinazolin-6-yl)amino]-3-oxopropyl}-l-cysteine
5952	461	0	0	False	decyl_formate
6086	461	0	0	False	5-(2-phenylpyrazolo[1_5-a]pyridin-3-yl)-1h-pyrazolo[3_4-c]pyridazin-3-amine
6204	461	0	0	False	4-(benzhydryloxy)-1-[3-(1h-tetraazol-5-yl)propyl]piperidine
6227	461	0	0	False	9-(3-iodobenzylamino)-1_2_3_4-tetrahydroacridine
6255	461	0	0	False	3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
6672	461	0	0	False	2-[(2_4-dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic_acid
6959	461	0	0	False	4-[3-(4-chlorophenyl)-2_1-benzisoxazol-5-yl]pyrimidin-2-amine
6989	461	0	0	False	1-{3-oxo-3-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1h)-one
7342	461	0	0	False	β-methylfentanyl
7349	461	0	0	False	r-30490
7726	461	0	0	True	dirlotapide
7882	461	5	0	False	dactolisib
8615	461	0	0	False	ac-430
8760	461	0	0	False	ltx-109
9330	461	0	0	False	lofepramine
9382	461	2	0	False	etybenzatropine
9394	461	0	0	False	dimefline
9420	461	0	0	False	clebopride
9561	461	0	0	False	fluanisone
9756	461	0	0	True	fenofibric_acid
10697	461	0	0	False	4-hydroxytamoxifen
10709	461	0	0	False	7-hydroxy-r-phenprocoumon
10716	461	0	0	False	r-7-hydroxywarfarin
11351	461	0	0	False	carbamazepine-o-quinone
11495	461	0	0	False	phenytoin_catechol
11622	461	0	0	False	4'-hydroxytamoxifen
11623	461	0	0	False	cis-4-hydroxytamoxifen
11640	461	0	0	False	3'_4'-dihpph
11739	461	0	0	False	zafirlukast_metabolite_m1
12138	461	0	0	False	5-chloro-n-ethyl-4-hydroxy-2-oxo-n-phenyl-1_2-dihydroquinoline-3-carboxamide
12144	461	0	0	False	4_6-dihydroxy-n_1-dimethyl-2-oxo-n-phenyl-1_2-dihydroquinoline-3-carboxamide
12399	461	0	0	False	didemethylimipramine
151	462	11	108	True	clotrimazole
385	462	2	38	True	darifenacin
1097	462	1	8	True	diphenidol
1103	462	0	0	True	bromodiphenhydramine
1409	462	3	41	True	pheniramine
2068	462	0	0	False	deoxyuridine-5'-triphosphate
2763	462	0	0	False	6-[(z)-amino(imino)methyl]-n-[4-(aminomethyl)phenyl]-4-(pyrimidin-2-ylamino)-2-naphthamide
3148	462	0	0	False	2'-deoxyguanosine-5'-diphosphate
3376	462	0	0	False	cp403700__(s)-1-{2-[(5-chloro-1h-indole-2-carbonyl)-amino]-3-phenyl-propionyl}-azetidine-3-carboxylate
3432	462	0	0	False	n_n-[2_5-o-dibenzyl-glucaryl]-di-[valinyl-aminomethanyl-pyridine]
3766	462	0	0	False	6-(adenosine_tetraphosphate-methyl)-7_8-dihydropterin
3846	462	0	0	False	p-hydroxybenzoic_acid
3933	462	0	0	False	1-(4-amidinophenyl)-3-(4-chlorophenyl)urea
4390	462	0	0	False	oxyphenisatin
5193	462	0	0	False	1-((2-hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)pyrimidine-2_4(1h_3h)-dione
5718	462	0	0	False	5-(2-methoxyphenyl)-2-furoic_acid
5719	462	0	0	False	5-(2-nitrophenyl)-2-furoic_acid
5739	462	0	0	False	2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic_acid
5796	462	0	0	False	4-amino-2-[(3-chlorophenyl)amino]-5-(4-fluorobenzoyl)-1_3-thiazol-3-ium
6058	462	0	0	False	fluorescin
6120	462	0	0	False	2-{[(6-oxo-1_6-dihydropyridin-3-yl)methyl]amino}-n-[4-propyl-3-(trifluoromethyl)phenyl]benzamide
6259	462	0	0	False	n-(1-isopropylpiperidin-4-yl)-1-(3-methoxybenzyl)-1h-indole-2-carboxamide
6262	462	0	0	False	3-{[(3-fluoro-3'-methoxybiphenyl-4-yl)amino]carbonyl}thiophene-2-carboxylic_acid
6465	462	0	0	False	2-(2-methylphenyl)-1h-indole-5-carboximidamide
6502	462	0	0	False	methoxyundecylphosphinic_acid
7118	462	0	42	True	mirabegron
7256	462	0	15	True	cobicistat
7986	462	1	0	False	danusertib
8483	462	0	0	False	apricoxib
8487	462	0	0	False	r-306465
8696	462	0	0	False	aleplasinin
9811	462	0	0	True	dioctyldimonium
9872	462	6	0	False	sc-236
9922	462	0	0	False	dihydroxymethoxychalcone
10151	462	0	0	False	prezatide_copper
10429	462	0	0	False	evobrutinib
10591	462	0	0	False	disaccharide_tripeptide_glycerol_dipalmitoyl
10605	462	0	0	False	iodohippuric_acid
11239	462	0	0	False	2-chloro-2'-deoxyadenosine-5'-triphosphate
11613	462	0	0	False	2-(o-carboxybenzamido)glutaric_acid
11624	462	0	0	False	alpha-hydroxytamoxifen_n-oxide
12149	462	0	0	False	n-desmethyloperamide
13051	462	0	0	False	n-desalkylquetiapine
225	463	17	141	True	methadone
354	463	15	202	True	ketorolac
566	463	35	0	True	midazolam
729	463	9	0	True	pseudoephedrine
773	463	4	76	True	triazolam
1094	463	3	1	True	encainide
1185	463	14	46	True	ephedrine
1712	463	0	0	False	inhibitor_of_p38_kinase
1763	463	0	0	False	br-coeleneterazine
1989	463	0	0	False	o-succinylbenzoate
1993	463	4	0	False	gm6001
2176	463	0	0	False	3-(1h-indol-3-yl)-2-[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-propionic_acid
2919	463	0	0	False	s-4-nitrobutyryl-coa
2985	463	0	0	False	guanosine_3'-monophosphate
3411	463	0	0	False	2-[4-(2_4-dichlorophenoxy)phenoxy]propanoic_acid
3440	463	0	0	False	2-decenoyl_n-acetyl_cysteamine
3818	463	0	0	False	n-cyclohexyl-n'-(propyl)phenyl_urea
3848	463	0	0	False	(2r)-2-(3-biphenylyl)-n-{(2r)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide
3924	463	0	0	False	phosphatidylethanolamine
4009	463	0	0	False	rpr128515
4053	463	0	0	False	2-phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-1_2_3_4-tetrahydro-isoquinolin-6-ol
4425	463	0	0	False	zanapezil
4982	463	2	0	True	agomelatine
5169	463	0	0	False	5-[(3s)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2_4-diamine
5394	463	0	0	False	6-[(z)-amino(imino)methyl]-n-[3-(cyclopentyloxy)phenyl]-2-naphthamide
5691	463	0	0	False	4-amino-2-octyloxy-6-hydroxymethyl-tetrahydro-pyran-3_5-diol
5696	463	0	0	False	n-(1-benzyl-3_3_3-trifluoro-2_2-dihydroxy-propyl)-acetamide
6453	463	0	0	False	11-mercaptoundecanoic_acid
6659	463	0	0	False	6_7-dimethoxy-4-[(3r)-3-(2-naphthyloxy)pyrrolidin-1-yl]quinazoline
6794	463	0	0	False	6-(2-fluorophenyl)-n-(pyridin-3-ylmethyl)imidazo[1_2-a]pyrazin-8-amine
6846	463	0	0	False	s-[2-({n-[(2s)-2-hydroxy-3_3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]_octanethioate
6861	463	0	0	False	3-(2_6-difluorophenyl)-2-(methylthio)quinazolin-4(3h)-one
7124	463	2	1	True	bedaquiline
7347	463	0	0	False	p-fluorofentanyl
7674	463	0	0	False	prezatide
8184	463	0	0	False	gw-406381
8384	463	0	0	False	moxaverine
8775	463	0	0	False	dolastatin_10
9424	463	0	0	False	levomethadone
10066	463	0	0	True	dotatate
10233	463	0	0	False	onc-201
10434	463	0	0	False	dubermatinib
10444	463	0	0	False	dextromethadone
10503	463	0	0	False	elismetrep
10537	463	0	0	False	methcathinone
11316	463	0	0	False	6-methoxy-2-naphthylacetic_acid
11470	463	0	0	False	norendoxifen
11539	463	0	0	False	hydroxy-lacosamide
11742	463	0	0	False	zafirlukast_metabolite_m3
12186	463	0	0	False	(r)-mianserin__n-oxide
12277	463	0	0	False	mianserin_n-oxide
12306	463	0	0	False	secondary_metabolite_of_vemurafenib_alternative
12640	463	0	0	False	7-acetamido-clonazepam
12777	463	0	0	False	alprazolam_benzophenone_metabolite
12974	463	0	0	False	n-desmethyltamoxifen_sulfate
12991	463	0	0	False	norendoxifen_(4-hydroxy-n_n-didesmethyltamoxifen)
845	464	6	41	True	azelastine
936	464	51	106	True	clonazepam
1241	464	7	93	True	phenazopyridine
1417	464	9	23	True	etoricoxib
1791	464	0	0	False	1-hexadecylsulfonyl_fluoride
1896	464	0	0	False	1_2-diacyl-sn-glycero-3-phosphoinositol
1940	464	0	0	False	8-benzyl-2-hydroxy-2-(4-hydroxy-benzyl)-6-(4-hydroxy-phenyl)-2h-imidazo[1_2-a]pyrazin-3-one
2191	464	0	0	False	benzylamine
2451	464	0	0	False	phthalic_acid
2628	464	0	0	False	gamma-arsono-beta__gamma-methyleneadenosine-5'-diphosphate
2783	464	0	0	False	thymidine-5'-_diphosphate
3409	464	0	0	False	glucosaminyl-(alpha-6)-d-myo-inositol
3728	464	0	0	False	4-(n_n-dimethylamino)cinnamoyl-coa
3782	464	0	0	False	3'-1-carboxy-1-phosphonooxy-ethoxy-uridine-diphosphate-n-acetylglucosamine
4132	464	0	0	False	cytidine-5'-diphosphate
4404	464	0	0	True	clofedanol
4628	464	2	0	False	amg-131
5241	464	0	0	False	2-[(1r)-1-carboxy-2-naphthalen-1-ylethyl]-1_3-dioxo-2_3-dihydro-1h-isoindole-5-carboxylic_acid
5757	464	0	0	False	n-[(1s)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide
5880	464	0	0	False	6-ethyl-5-phenylpyrimidine-2_4-diamine
5889	464	0	0	False	5-(4-methyl-benzoylamino)-biphenyl-3_4'-dicarboxylic_acid_3-dimethylamide-4'-hydroxyamide
6037	464	0	0	False	n-(2_3-difluoro-benzyl)-4-sulfamoyl-benzamide
6172	464	0	0	False	(2-amino-3-phenyl-bicyclo[2.2.1]hept-2-yl)-phenyl-methanone
6271	464	0	0	False	[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-acetic_acid
6478	464	0	0	False	[(4r)-4-(3-hydroxyphenyl)-1_6-dimethyl-2-thioxo-1_2_3_4-tetrahydropyrimidin-5-yl](phenyl)methanone
6717	464	0	0	False	n-1h-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
6799	464	0	0	False	3-bromo-6-phenyl-n-(pyrimidin-5-ylmethyl)imidazo[1_2-a]pyridin-8-amine
6828	464	0	0	False	(2s)-1-{[5-(3-methyl-1h-indazol-5-yl)pyridin-3-yl]oxy}-3-phenylpropan-2-amine
7151	464	0	0	False	kebuzone
7162	464	1	0	False	indoprofen
7184	464	0	0	False	florantyrone
7849	464	0	1	True	domiphen
8732	464	0	0	False	soblidotin
9284	464	2	0	False	cibenzoline
9289	464	0	0	False	feprazone
9352	464	0	0	False	fenticonazole
9694	464	4	0	False	linopirdine
9740	464	0	0	True	gamolenic_acid
10841	464	0	0	False	sulfinpyrazone_sulfone
11320	464	0	0	False	6-thioinosine_triphosphate
11776	464	0	0	False	cis-dihydrorofecoxib
11777	464	0	0	False	trans-dihydrorofecoxib
12916	464	0	0	False	diclofenac_radical
12975	464	0	0	False	4-endoxifen_sulfate
430	465	4	0	False	adinazolam
839	465	37	56	True	telmisartan
1254	465	0	0	False	beta-hydroxyfentanyl
1360	465	0	0	False	fludiazepam
1458	465	0	0	False	uridine-5'-diphosphate-n-acetylmuramoyl-l-alanine
1567	465	0	0	False	sb-409513
1849	465	0	0	False	fr221647
2132	465	0	0	False	5-(4-methoxyphenoxy)-2_4-quinazolinediamine
2357	465	0	0	False	[[n-(benzyloxycarbonyl)amino]methyl]phosphate
2582	465	0	0	False	4-o-(4_6-dideoxy-4-{[4_5_6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-beta-d-lyxo-hexopyranosyl)-alpha-d-erythro-hexopyranose
2583	465	0	0	False	6-hydroxyuridine-5'-phosphate
2609	465	0	0	False	n-hydroxy-4-(methyl{[5-(2-pyridinyl)-2-thienyl]sulfonyl}amino)benzamide
2621	465	0	0	False	adenosine_5'-[γ-thio]triphosphate
2807	465	0	0	False	s-p-nitrobenzyloxycarbonylglutathione
3708	465	0	0	False	(2r_3r_4r_5r)-4_5-dihydroxy-2-(hydroxymethyl)-6-oxo-3-piperidinyl_beta-d-glucopyranoside
3807	465	0	0	False	isoformononetin
3987	465	0	0	False	thiodigalactoside
4006	465	0	0	False	nicotinamide_adenine_dinucleotide_3-pentanone_adduct
4286	465	0	0	False	2''-o-[n-(3-(aminopropyl)2-aminoethyl]paromomycin
4414	465	0	0	False	roxadustat
4529	465	0	0	False	asimadoline
4876	465	0	0	False	tucidinostat
5307	465	0	0	False	{4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic_acid
5517	465	0	0	False	(2s)-3-[(9h-fluoren-9-ylideneamino)oxy]-2-methylpropanoic_acid
5534	465	0	0	False	benzyl_n-({(2s_3s)-3-[(propylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-prolinate
5545	465	0	0	False	3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1h-inden-1-one
5982	465	0	0	False	dodecanesulfonate_ion
6024	465	0	0	False	3-fluoro-n-[3-(1h-tetrazol-5-yl)phenyl]benzamide
6254	465	0	0	False	n-(2-chloro-4-fluorobenzoyl)-n'-(5-hydroxy-2-methoxyphenyl)urea
6441	465	0	0	False	4-(5_11-dioxo-5h-indeno[1_2-c]isoquinolin-6(11h)-yl)butanoate
6540	465	0	0	False	2_6-dicarboxynaphthalene
6558	465	0	0	False	o-[2-(1_3-dioxo-1_3-dihydro-2h-isoindol-2-yl)ethyl]_(4-chlorophenyl)thiocarbamate
6575	465	0	0	False	n-({[4-(aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
6628	465	0	0	False	4-[4-(4-methoxyphenyl)-5-methyl-1h-pyrazol-3-yl]benzene-1_3-diol
6634	465	0	0	False	n-(3-(8-cyano-4-(phenylamino)pyrazolo[1_5-a][1_3_5]triazin-2-ylamino)phenyl)acetamide
6785	465	0	0	False	[hydroxy(3-phenylpropyl)amino]methanol
7022	465	0	0	False	2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol
7358	465	0	0	False	amedalin
7415	465	0	0	False	mebanazine
7581	465	0	0	True	undecylenic_acid
8253	465	2	0	False	naftopidil
8366	465	0	0	False	cerlapirdine
8606	465	4	10	True	mizolastine
8635	465	1	0	False	aee-788
8638	465	0	0	False	setipiprant
9494	465	0	0	False	zolimidine
9550	465	0	0	False	lorcainide
9738	465	0	0	False	mefenorex
10698	465	0	0	False	3-hydroxytamoxifen_(droloxifene)
10937	465	0	0	False	desmethylastemizole
11486	465	0	0	False	p-hydroxynordiazepam
11761	465	0	0	False	6-carboxy-etoricoxib
12210	465	0	0	False	3-hydroxytamoxifen
12651	465	0	0	False	n-desmethyl-4-hydroxyatomoxetine
13039	465	0	0	False	quinapril_metabolite_pd113413
28	466	11	0	True	alpha-linolenic_acid
673	466	42	109	True	sulfasalazine
681	466	7	32	True	colistin
1494	466	0	0	False	(3r)-4-(p-toluenesulfonyl)-1_4-thiazane-3-carboxylicacid-l-phenylalanine_ethyl_ester
1514	466	0	0	False	3-(oxalyl-amino)-naphthalene-2-carboxylic_acid
1719	466	0	0	False	7-methyl-7_8-dihydroguanosine-5'-diphosphate
1824	466	0	0	False	way-151693
2152	466	0	0	False	methyl-2-s-(alpha-d-mannopyranosyl)-2-thio-alpha-d-mannopyranoside
2161	466	0	0	False	cytidine-5'-triphosphate
2489	466	0	0	False	phenyl-uridine-5'-diphosphate
2538	466	0	0	False	9-amino-n-[3-(dimethylamino)propyl]acridine-4-carboxamide
2622	466	0	0	False	coa-s-acetyl_tryptamine
2627	466	0	0	False	4-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-butyric_acid
3032	466	0	0	False	4-[3-hydroxyanilino]-6_7-dimethoxyquinazoline
3143	466	0	0	False	phosphomethylphosphonic_acid_guanosyl_ester
3410	466	0	0	False	2-aminoquinazolin-4(3h)-one
3624	466	0	0	False	[2-amino-6-(2_6-difluoro-benzoyl)-imidazo[1_2-a]pyridin-3-yl]-phenyl-methanone
3705	466	0	0	False	undecanal
3750	466	0	0	False	1-benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-hexahydro-pyrimidine-4-carboxylic_acid_hydroxyamide
3838	466	0	0	False	n2-({[(4-bromophenyl)methyl]oxy}carbonyl)-n1-[(1s)-1-formylpentyl]-l-leucinamide
4816	466	5	49	True	tolvaptan
5561	466	0	0	False	(2r)-2-amino-3_3_3-trifluoro-n-hydroxy-2-{[(4-phenoxyphenyl)sulfonyl]methyl}propanamide
5562	466	0	0	False	[2'-hydroxy-3'-(1h-pyrrolo[3_2-c]pyridin-2-yl)-biphenyl-3-ylmethyl]-urea
5618	466	0	0	False	n~3~-[3-(5-methoxypyridin-3-yl)benzyl]pyridine-2_3-diamine
5997	466	0	0	False	3-(3-aminophenyl)-n-(3-chlorophenyl)pyrazolo[1_5-a]pyrimidin-5-amine
6071	466	0	0	False	n-({(2s)-1-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl}methyl)benzamide
6104	466	0	0	False	glycylalanyl-n-2-naphthyl-l-prolineamide
6404	466	0	0	False	n-methyl-4-{[(2-oxo-1_2-dihydro-3h-indol-3-ylidene)methyl]amino}benzenesulfonamide
6798	466	0	0	False	3-bromo-5-phenyl-n-(pyrimidin-5-ylmethyl)pyrazolo[1_5-a]pyridin-7-amine
9657	466	0	0	False	emetonium_iodide
9880	466	0	0	False	dofequidar
10214	466	0	0	False	dcfpyl_f-18
10488	466	0	0	False	vb-201
10879	466	0	0	False	desmethyladinazolam
11291	466	0	0	False	4-hydroxyatomoxetine
11542	466	0	0	False	endoxifen_(4-hydroxy-n-desmethyltamoxifen)
11688	466	0	0	False	flunarizine_metabolite_m3
11803	466	0	0	False	nateglinide_metabolite_m2-m3
11805	466	0	0	False	nateglinide_metabolite_m1
12281	466	0	0	False	2-{[4-(1-hydroxypropan-2-yl)cyclohexyl]formamido}-3-phenylpropanoic_acid
12282	466	0	0	False	2-{[4-(2-hydroxypropan-2-yl)cyclohexyl]formamido}-3-phenylpropanoic_acid
12976	466	0	0	False	4-hydroxy-n-desmethyltamoxifen
139	467	34	35	True	benzatropine
758	467	20	41	True	quinapril
1186	467	4	0	True	mephentermine
1731	467	0	0	False	guanosine-5'-monophosphate
1965	467	0	0	False	ly231514_tetra_glu
2204	467	0	0	False	(r)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
2340	467	0	0	False	aminophosphonic_acid-guanylate_ester
2731	467	0	0	False	l-alpha-phosphatidyl-beta-oleoyl-gamma-palmitoyl-phosphatidylethanolamine
2891	467	0	0	False	dpi59
3150	467	0	0	False	4_6-dideoxy-4-{[4_5_6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-d-lyxo-hexopyranosyl-(1->4)-alpha-d-threo-hexopyranosyl-(1->6)-alpha-l-threo-hexopyranose
3321	467	0	0	False	uridine_monophosphate
3459	467	0	0	False	3-carboxy-n_n_n-trimethyl-2-(octanoyloxy)propan-1-aminium
3571	467	0	0	False	(s)-n-(3-indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
3586	467	0	0	False	dodecyl_sulfate
3614	467	0	0	False	3-[(5s)-1-acetyl-3-(2-chlorophenyl)-4_5-dihydro-1h-pyrazol-5-yl]phenol
3751	467	0	0	False	2-hexyloxy-6-hydroxymethyl-tetrahydro-pyran-3_4_5-triol
3788	467	0	0	False	4-(aminosulfonyl)-n-[(2_4-difluorophenyl)methyl]-benzamide
3835	467	0	0	False	nitromethyldethia_coenzyme_a
3966	467	0	0	False	4-amino-n-{4-[2-(2_6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide
4854	467	0	0	False	senicapoc
5072	467	0	0	False	seproxetine
5604	467	0	0	False	5-[3-(benzylamino)phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic_acid
6796	467	0	0	False	5-(2-fluorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1_5-a]pyrimidin-7-amine
7063	467	5	0	True	hyaluronic_acid
7235	467	4	5	True	miltefosine
7339	467	0	0	False	4-phenylfentanyl
7975	467	0	0	False	momelotinib
8122	467	3	0	False	kynurenic_acid
8824	467	0	0	False	cmx-2043
9316	467	0	0	False	prenoxdiazine
9613	467	0	0	True	diphemanil
9676	467	0	0	False	chlorbenzoxamine
9692	467	0	0	False	benzylthiouracil
10795	467	0	0	False	4'-hydroxyflurbiprofen
10829	467	0	0	False	norfluoxetine
12017	467	0	0	False	3-(methylamino)-1-phenylpropan-1-one
12018	467	0	0	False	4-oh-s-flurbiprofen
12258	467	0	0	False	(r)-norfluoxetine
12930	467	0	0	False	levocetirizine_o-dealkylated_metabolite_(m6)
690	468	21	10	True	phenylbutazone
1040	468	8	85	True	orphenadrine
1225	468	6	1	True	paromomycin
1602	468	0	0	False	desulfo-coenzyme_a
1928	468	0	0	False	myristoyl-coa
1929	468	0	0	False	2'-deoxyguanosine-5'-triphosphate
1978	468	0	0	False	maltotetraose
2387	468	0	0	False	(4-hydroxymaltosephenyl)glycine
2605	468	0	0	False	propanoyl-coa
2857	468	0	0	False	alpha-fluoro-carboxymethyldethia_coenzyme_a_complex
2966	468	0	0	False	3'-beta-sialyl-beta-lactose
3035	468	0	0	False	5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2_4_6-trione
3496	468	0	0	False	ara-alpha(1_3)-xyl
3501	468	0	0	False	n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide
3582	468	0	0	False	nicotinamide_8-bromo-adenine_dinucleotide_phosphate
3652	468	0	0	False	coenzyme_a_persulfide
3723	468	0	0	False	(2r)-2-acetamido-3-(octadecyloxy)propyl_2-(methylsulfanyl)ethyl_hydrogen_phosphate
3970	468	0	0	False	3-amino-n-{4-[2-(2_6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide
4311	468	52	58	True	nimesulide
4391	468	0	42	True	phenolphthalein
4582	468	0	0	False	arundic_acid
4808	468	2	0	True	lasofoxifene
5438	468	0	0	False	3-carbamimidamido-1_1-diphenylurea
5464	468	0	0	False	2_3-diphenyl-n-(2-piperazin-1-ylethyl)furo[2_3-b]pyridin-4-amine
5506	468	0	0	False	(1s_3r_6s)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic_acid
5544	468	0	0	False	3-{5-[amino(iminio)methyl]-1h-indol-2-yl}-5-methoxy-1_1'-biphenyl-2-olate
5715	468	0	0	False	(1-hydroxy-1-phosphono-2-[1_1';3'_1'']terphenyl-3-yl-ethyl)-phosphonic_acid
5950	468	0	0	False	(2r)-3-{[(4z)-5_6-diphenyl-6_7-dihydro-4h-pyrrolo[2_3-d]pyrimidin-4-ylidene]amino}propane-1_2-diol
6144	468	0	0	False	(s)-1-phenyl-1-[4-(9h-purin-6-yl)phenyl]methanamine
6468	468	0	0	False	n-methylphenylalanyl-n-[(trans-4-aminocyclohexyl)methyl]-l-prolinamide
6626	468	0	0	False	2-(4-chlorobenzylamino)-4-(phenylamino)pyrazolo[1_5-a][1_3_5]triazine-8-carbonitrile
6951	468	0	0	False	1-[(3s)-5-phenyl-3-thiophen-2-yl-3h-1_4-benzodiazepin-2-yl]azetidin-3-ol
7036	468	0	0	False	4-(2_4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine
7775	468	0	0	True	sulfanitran
9259	468	0	0	False	efloxate
9390	468	0	0	False	diisopromine
9414	468	0	0	False	emepronium
9911	468	0	0	True	sodium_1_2-dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol)
10139	468	0	0	False	temazepam_acetate
10287	468	0	0	False	cobomarsen
10789	468	0	0	False	n-dealkylated_tolterodine
11648	468	0	0	False	thiodeoxyguanosine_triphosphate
12184	468	0	0	False	(r)-mianserin__n-desmethyl
12276	468	0	0	False	desmethylmianserin
12630	468	0	0	False	n-desmethylbenztropine
12968	468	0	0	False	(ω-1)-hydroxy-butyrfentanyl
13184	468	0	0	False	mdl_4829_(azacyclonol)
112	469	3	0	True	bethanidine
631	469	5	13	True	epinastine
738	469	3	10	True	diflunisal
983	469	1	0	True	trimethaphan
1926	469	0	0	False	phenylacetaldehyde
2179	469	0	0	False	thymidine-5'-triphosphate
2315	469	0	0	False	alpha_beta-methyleneadenosine-5'-triphosphate
2404	469	0	0	False	o1-pentyl-mannose
2819	469	0	0	False	nonan-1-ol
3133	469	0	0	False	trans-6-(2-phenylcyclopropyl)-naphthalene-2-carboxamidine
3316	469	0	0	False	(6_7-difluoro-quinazolin-4-yl)-(1-methyl-2_2-diphenyl-ethyl)-amine
3520	469	0	0	False	hydroxyphenyl_propionic_acid
3532	469	0	0	False	adenosine-5'-[beta__gamma-methylene]triphosphate
3639	469	0	0	False	guanosine-5'_3'-tetraphosphate
3776	469	0	0	False	2-amino-5-bromo-6-phenylpyrimidin-4-ol
4035	469	0	0	False	4-o-(4_6-dideoxy-4-{[4-[(4-o-hexopyranosylhexopyranosyl)oxy]-5_6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}hexopyranosyl)hexopyranose
4160	469	0	0	False	phenyldehydroalanine
4168	469	0	0	False	3-({1-[3-carbamimidoyl-1-(4-carbamimidoyl-benzylcarbamoyl)-propylcarbamoyl]-2-methyl-butylsulfamoyl}-methyl)-benzoic_acid
4332	469	0	0	False	[4-(3-aminomethyl-phenyl)-piperidin-1-yl]-(5-phenethyl-_pyridin-3-yl)-methanone
5649	469	0	0	False	n-[5-(ethylsulfonyl)-2-methoxyphenyl]-5-[3-(2-pyridinyl)phenyl]-1_3-oxazol-2-amine
5734	469	0	0	False	tripotassium_(1r)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate
5834	469	0	0	False	3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1h)-one
5915	469	0	0	False	3-phenyl-5-(1h-pyrazol-3-yl)isoxazole
5917	469	2	13	False	tranilast
6007	469	0	0	False	phenylalanylaminodi(ethyloxy)ethyl_benzenesulfonamideaminocarbonylbenzenesulfonamide
6924	469	0	0	False	methyl_n-[(2s_3r)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-d-alanyl-d-leucinate
7452	469	0	0	False	talniflumate
11813	469	0	0	False	indapamide_metabolite_m5
12639	469	0	0	False	7-amino-clonazepam
12858	469	0	0	False	(r)9-hydroxywarfarin
12859	469	0	0	False	(s)9-hydroxywarfarin
371	470	50	89	True	celecoxib
768	470	2	0	True	sulfapyridine
1005	470	7	1	True	sulfinpyrazone
1223	470	4	0	True	antrafenine
1460	470	0	0	False	methacrylyl-coenzyme_a
1489	470	0	0	False	l-alfa-lysophosphatidylcholine__lauroyl
1751	470	0	0	False	coenzyme_a
2177	470	0	0	False	2-benzo[1_3]dioxol-5-ylmethyl-3-benzyl-succinic_acid
2209	470	0	0	False	cytidine_5'-diphosphoglycerol
2285	470	0	0	False	hexanoyl-coa
3129	470	0	0	False	cyclohexyl-hexyl-beta-d-maltoside
3165	470	0	0	False	6-o-phosphoryl_inosine_monophosphate
3256	470	0	0	False	4-hydroxyphenacyl_coenzyme_a
3623	470	0	0	False	uridine_5'-triphosphate
3646	470	0	0	False	1_3_4_9-tetrahydro-2-(hydroxybenzoyl)-9-[(4-hydroxyphenyl)methyl]-6-methoxy-2h-pyrido[3_4-b]indole
3986	470	0	0	False	phosphoaminophosphonic_acid-adenylate_ester
4013	470	0	0	False	4'-hydroxyflavanone
4192	470	0	0	False	4_6-dideoxy-4-{[4-[(4-o-hexopyranosylhexopyranosyl)oxy]-5_6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranose
4236	470	4	0	False	coumarin
4304	470	0	0	False	2-acetamido-2-deoxy-beta-d-glucopyranose(beta1-4)-2-acetamido-1_6-anhydro-3-o-[(r)-1-carboxyethyl]-2-deoxy-beta-d-glucopyranose-l-alanyl-gamma-d-glutamyl-meso-diaminopimelyl-d-alanine
4313	470	0	0	False	2-oxoquinoline
5584	470	0	0	False	(2s)-2-[3-(aminomethyl)phenyl]-3-[(r)-[(1r)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl]propanoic_acid
5720	470	0	0	False	(1-hydroxy-1-phosphono-2-[1_1';4'_1'']terphenyl-3-yl-ethyl)-phosphonic_acid
5722	470	0	0	False	phenylalanine_boronic_acid
5838	470	0	0	False	n-hexanoyl-l-homoserine
6386	470	0	0	False	2_6-dibromo-4-phenoxyphenol
6848	470	0	0	False	2-({2-[(3r)-3-aminopiperidin-1-yl]-4-oxoquinazolin-3(4h)-yl}methyl)benzonitrile
6982	470	0	0	False	2-[(1r)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1_3-dioxo-2_3-dihydro-1h-isoindole-5-carboxylic_acid
8599	470	0	0	False	iofolastat_i-123
8707	470	0	0	False	ibipinabant
9223	470	0	0	False	cloridarol
9253	470	0	0	False	picotamide
9443	470	0	0	False	guacetisal
9810	470	0	0	False	quaternium-24
9989	470	0	0	False	deacetylbisacodyl
9990	470	0	0	False	2-ethylhexyl_4-phenylbenzophenone-2'-carboxylate
10324	470	0	0	False	miransertib
10624	470	1	0	False	echinacoside
10692	470	0	0	False	n-desmethylimatinib_(cgp74588)
11442	470	0	0	False	n-demethylated_piperazine
11580	470	0	0	False	2-ethyl-5-methyl-3_3-diphenyl-1-pyrroline_(emdp)
11840	470	0	0	False	norfluoxetine_alcohol
12927	470	0	0	False	n-didesmethylpheniramine
241	471	6	127	True	clobazam
323	471	24	23	True	cyproheptadine
364	471	14	44	True	chlordiazepoxide
521	471	14	4	True	astemizole
2024	471	0	0	False	2-(2-hydroxy-phenyl)-3h-benzoimidazole-5-carboxamidine
2230	471	0	0	False	2_6_8-trimethyl-3-amino-9-benzyl-9-methoxynonanoic_acid
2294	471	0	0	False	2'-deoxycytidine-2'-deoxyadenosine-3'_5'-monophosphate
2723	471	0	0	False	4-(aminosulfonyl)-n-[(2_5-difluorophenyl)methyl]-benzamide
2940	471	0	0	False	ru82197
2967	471	0	0	False	benzylsulfinic_acid
2995	471	0	0	False	deoxycytidylyl-3'_5'-guanosine
3682	471	0	0	False	4-hydroxybenzyl_coenzyme_a
3984	471	0	0	False	soneclosan
4479	471	2	21	True	ospemifene
4774	471	16	31	True	mianserin
4848	471	0	0	False	lonidamine
4995	471	1	0	False	cutamesine
5055	471	1	12	True	naphazoline
5303	471	0	0	False	2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic_acid
5962	471	0	0	False	1_6-dihydroxy_naphthalene
6048	471	0	0	False	n-({(1r)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-l-glutamic_acid
6620	471	0	0	False	n~2~_n~2~-dimethyl-n~1~-(6-oxo-5_6-dihydrophenanthridin-2-yl)glycinamide
7734	471	7	0	True	fenbendazole
8492	471	0	0	False	evocalcet
8885	471	0	18	False	oxatomide
8948	471	0	0	False	delparantag
9157	471	0	0	True	medifoxamine
9231	471	0	0	False	tolpropamine
9773	471	24	0	False	candesartan
10077	471	0	3	True	eslicarbazepine
10194	471	0	0	False	dcfbc_f-18
10714	471	0	0	False	r-10(s)-hydroxywarfarin
11341	471	0	0	False	alpha-hydroxytamoxifen
11520	471	0	0	False	(r)-mhd
11597	471	0	0	False	10-hydroxycarbazepine
11645	471	0	0	False	thioguanosine_diphosphate
11806	471	0	0	False	nateglinide_metabolite_m7
11876	471	0	0	False	eslicarbazepine_[(s)-licarbazepine]
11878	471	0	0	False	r-licarbazepine
11993	471	0	0	False	candesartan
12470	471	0	0	False	benzydamine_n-oxide
12556	471	0	0	False	eslicarbazepine
12860	471	0	0	False	r-10(r)-hydroxywarfarin
12861	471	0	0	False	r-warfarin-r-alcohol
12862	471	0	0	False	s-warfarin-r-alcohol
12978	471	0	0	False	α-hydroxytamoxifen
13057	471	0	0	False	s-mhd
13058	471	0	0	False	r-mhd
13059	471	0	0	False	(s)-mhd
27	472	0	0	True	adenosine_phosphate
361	472	60	321	True	fluoxetine
452	472	5	23	True	cinnarizine
670	472	0	2	True	tripelennamine
992	472	2	0	True	anisindione
1661	472	0	0	False	n6-benzyl_adenosine-5'-diphosphate
1798	472	0	0	False	1_2-dipalmitoyl-phosphatidyl-glycerole
2007	472	0	0	False	[4-({[5-benzyloxy-1-(3-carbamimidoyl-benzyl)-1h-indole-2-carbonyl]-amino}-methyl)-phenyl]-trimethyl-ammonium
2225	472	0	0	False	n(2)-succinyl-l-arginine
2424	472	0	0	False	7-methyl-guanosine-5'-triphosphate
2439	472	0	0	False	[(2r_3s_4r_5r)-5-(4-acetonyl-3-carbamoyl-pyridin-1-ium-1-yl)-3_4-dihydroxy-tetrahydrofuran-2-yl]methyl_[[(2r_3s_4r_5r)-5-(6-aminopurin-9-yl)-3_4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]_phosphate
2671	472	0	0	False	bombykol
3265	472	0	0	False	9-(4-hydroxyphenyl)-2_7-phenanthroline
3387	472	0	0	False	adenosine-5'-[beta__gamma-methylene]tetraphosphate
3417	472	0	0	False	gc-24
3695	472	0	0	False	decyloxy-methanol
3765	472	0	0	False	n-[(aminooxy)carbonyl]aniline
3771	472	0	0	False	5-phenylsulfanyl-2_4-quinazolinediamine
4131	472	0	0	False	8-bromoadenosine-5'-diphosphate
4157	472	1	0	False	1-benzylimidazole
4388	472	5	0	True	nomifensine
4753	472	0	0	False	linsitinib
5023	472	0	0	False	lixivaptan
5204	472	0	0	False	4-hydroxy-n'-(4-isopropylbenzyl)benzohydrazide
5475	472	0	0	False	(5r_6s_8s)-8-[3-(aminomethyl)phenyl]-6-hydroxy-5-isopropyl-3-oxo-1-phenyl-2_7-dioxa-4-aza-6-phosphanonan-9-oic_acid_6-oxide
5528	472	0	0	False	n-(7-carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide
5614	472	0	0	False	4-methyl-pentanoic_acid_{1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide
5872	472	0	0	False	(2s)-2-[(2_1_3-benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-n-pyridin-4-ylacetamide
5937	472	0	0	False	bis(4-hydroxyphenyl)methanone
6100	472	0	0	False	4-({[4-(3-methylbenzoyl)pyridin-2-yl]amino}methyl)benzenecarboximidamide
6122	472	0	0	False	n-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1_3_4-oxadiazol-2-yl)-4-biphenylcarboxamide
6312	472	0	0	False	n~2~-(biphenyl-4-ylsulfonyl)-n-hydroxy-n~2~-(2-hydroxyethyl)glycinamide
6397	472	0	0	False	5-benzyl-1_3-thiazol-2-amine
6651	472	0	0	False	6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2h)-one
6654	472	0	0	False	2-({4-[4-(pyridin-4-ylmethyl)-1h-pyrazol-3-yl]phenoxy}methyl)quinoline
6737	472	0	0	False	(r)-fluoxetine
6786	472	0	0	False	2-(3-benzoylphenoxy)ethyl(hydroxy)formamide
6806	472	0	0	False	(s)-fluoxetine
7498	472	0	0	True	lapyrium
8717	472	0	0	False	naveglitazar
9136	472	11	0	False	daidzein
9224	472	0	0	True	pimethixene
9235	472	0	0	False	benproperine
9317	472	1	0	False	oxyfedrine
9326	472	0	0	False	nifenazone
9620	472	1	0	False	azapetine
9686	472	0	0	False	demoxytocin
9984	472	1	0	False	quinaprilat
10163	472	0	0	False	nitrazolam
10535	472	2	0	False	formononetin
10871	472	0	0	False	n-desisopropylpropranolol
11054	472	0	0	False	adenosine_monophosphate
11444	472	0	0	False	n-desalkyl_flurazepam
11633	472	0	0	False	quinaprilat
12034	472	0	0	False	beta-hydroxyalprazolam
12564	472	0	0	False	monomethyl_auristatin_e_(mmae)
50	473	1	0	False	dihomo-gamma-linolenic_acid
470	473	36	340	True	diclofenac
558	473	60	314	True	tamoxifen
691	473	22	227	True	fentanyl
1216	473	8	0	False	pranlukast
1350	473	0	0	False	α-methylfentanyl
1391	473	5	102	True	lopinavir
2009	473	0	0	False	s-(2-oxo)pentadecylcoa
2066	473	0	0	False	(2s)-2-[(5-benzofuran-2-yl-thiophen-2-ylmethyl)-(2_4-dichloro-benzoyl)-amino]-3-phenyl-propionic_acid
2576	473	0	0	False	cyanocinnoline
3059	473	0	0	False	enalkiren
3736	473	0	0	False	n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)-4-acetyl-piperazine
4616	473	0	0	False	etc-588
4623	473	0	0	False	golotimod
5132	473	28	0	True	niclosamide
5555	473	0	0	False	3-[(9h-fluoren-9-ylideneamino)oxy]propanoic_acid
5612	473	0	0	False	5_6-diphenyl-n-(2-piperazin-1-ylethyl)furo[2_3-d]pyrimidin-4-amine
5947	473	0	0	False	sebacic_acid
6256	473	0	0	False	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide
6339	473	0	0	False	n-(2_6-dimethylphenyl)-5-phenylimidazo[1_5-a]pyrazin-8-amine
7424	473	0	0	False	imidafenacin
7839	473	0	0	True	pipradrol
8984	473	0	0	False	mip-1095_i-123
9193	473	2	16	True	clothiapine
9966	473	0	0	True	n-cyclohexyl-n'-phenyl-1_4-phenylenediamine
10126	473	1	0	True	chloramphenicol_palmitate
10320	473	0	0	False	mip-1095_i-131
10479	473	0	0	False	olorofim
11289	473	0	0	False	4-hydroxy-estazolam
11354	473	0	0	False	carboxycelecoxib
11956	473	0	0	False	diclofenac
12584	473	0	0	False	5-hydroxybendazac
12904	473	0	0	False	3'-hydroxy-4'-methoxy_diclofenac
81	474	37	176	True	lorazepam
83	474	42	208	True	bortezomib
255	474	46	545	True	clozapine
759	474	11	79	True	clomifene
884	474	9	110	True	cinacalcet
1113	474	5	3	True	isocarboxazid
1440	474	0	0	False	4-hydroxybenzoyl-coa
1725	474	0	0	False	di-stearoyl-3-sn-phosphatidylethanolamine
2088	474	0	0	False	adenosine-5'-rp-alpha-thio-triphosphate
2339	474	0	0	False	2-(oxalyl-amino)-benzoic_acid
2896	474	0	0	False	datp
3088	474	0	0	False	digalactosyl_diacyl_glycerol_(dgdg)
3339	474	0	0	False	12-hydroxydodecanoic_acid
3347	474	0	0	False	ru85053
3693	474	0	0	False	ru78191
3764	474	0	0	False	2-fluoro-2-deoxy-beta-d-galactopyranosyl-beta-d-glucopyranose
3913	474	0	0	False	guanosine-5'-diphosphate
4507	474	1	0	True	belinostat
5076	474	0	0	False	enclomiphene
5401	474	0	0	False	beta-phenyl-d-phenylalanyl-n-propyl-l-prolinamide
5770	474	0	0	False	(3_4-dihydroxy-2-nitrophenyl)(phenyl)methanone
6047	474	0	0	False	3'_5'-difluorobiphenyl-4-carboxylic_acid
6197	474	0	0	False	(2s)-2-amino-3-phenylpropane-1_1-diol
6549	474	0	0	False	(4s)-4-(2-naphthylmethyl)-d-glutamic_acid
6986	474	0	0	False	r_s-warfarin_alcohol
6987	474	0	0	False	s_r-warfarin_alcohol
7188	474	2	0	False	fendiline
8903	474	0	0	False	tt-301
9554	474	2	0	True	benorilate
10204	474	0	0	False	bpn-14770
10253	474	0	0	False	liafensine
10840	474	0	0	False	sulfinpyrazone_sulfide
11904	474	0	0	False	berlinostat_glucuronide
11905	474	0	0	False	belinostat_glucuronide
12856	474	0	0	False	r-warfarin-s-alcohol
12857	474	0	0	False	s-warfarin-s-alcohol
482	475	25	140	True	labetalol
611	475	1	25	True	nateglinide
811	475	4	58	True	salicylic_acid
1543	475	0	0	False	(5-oxo-5_6-dihydro-indolo[1_2-a]quinazolin-7-yl)-acetic_acid
1631	475	0	0	False	cordycepin_triphosphate
1732	475	0	0	False	o-benzylsulfonyl-serine
1839	475	0	0	False	(3_4-dihydroxy-phenyl)-triphenyl-arsonium
2208	475	0	0	False	etheno-nad
2603	475	0	0	False	octanoyl-coenzyme_a
2707	475	0	0	False	5-beta-d-ribofuranosylnicotinamide_adenine_dinucleotide
2827	475	0	0	False	b-2-octylglucoside
3098	475	0	0	False	lysophosphatidylglycerol
3608	475	0	0	False	4'-nitrophenyl-3i-thiolaminaritrioside
3916	475	0	0	False	nα-[(2s)-2-{[(s)-[(1s)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-l-tryptophanamide
4129	475	1	0	False	niflumic_acid
4294	475	2	0	False	licofelone
5014	475	0	0	False	priralfinamide
5196	475	0	0	False	n-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrrolo[2_3-b]pyridin-3-yl}nicotinamide
5350	475	0	0	False	2-(4-hydroxy-phenyl)benzofuran-5-ol
5495	475	0	0	False	5-pentyl-2-phenoxyphenol
5498	475	0	0	False	4'-[(1r)-1-amino-2-(2_5-difluorophenyl)ethyl]biphenyl-3-carboxamide
5524	475	0	0	False	(8e_10s_12z)-10-hydroxy-6-oxooctadeca-8_12-dienoic_acid
5575	475	0	0	False	n-benzyl-4-[(2r)-pyrrolidin-2-ylmethoxy]aniline
5702	475	0	0	False	2-[3-(5-mercapto-[1_3_4]thiadiazol-2-yl)-ureido]-n-methyl-3-phenyl-propionamide
5853	475	0	0	False	5-(4-cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic_acid
5956	475	0	0	False	(5_6-diphenyl-furo[2_3-d]pyrimidin-4-ylamino)-acetic
6245	475	0	0	False	3-(1h-benzimidazol-2-yl)-1h-indazole
6407	475	0	0	False	4-{[(2-oxo-1_2-dihydro-3h-indol-3-ylidene)methyl]amino}-n-(1_3-thiazol-2-yl)benzenesulfonamide
6775	475	0	0	False	6-amino-2-[(1-naphthylmethyl)amino]-3_7-dihydro-8h-imidazo[4_5-g]quinazolin-8-one
7033	475	0	0	False	2-(4-chloro-phenylamino)-nicotinic_acid
7356	475	1	0	False	nisoxetine
7563	475	0	12	True	trolamine_salicylate
7604	475	1	0	True	triclocarban
9745	475	0	0	False	imidazole_salicylate
10672	475	0	0	True	aminopentamide
10935	475	0	0	False	4-hydroxyalprazolam
12729	475	0	0	False	salicylic__acid
12869	475	0	0	False	hydroxyfentanyl
12973	475	0	0	False	ω-carboxy-butyrfentanyl
4	476	11	67	True	desmopressin
31	476	0	1	True	tyrosine
1049	476	11	71	True	propafenone
1082	476	2	48	True	estazolam
1353	476	0	0	False	cathinone
1698	476	0	0	False	l-histidine_beta_naphthylamide
2937	476	0	0	False	dodecyl-coa
3465	476	0	0	False	d-tyrosine
3909	476	0	0	False	4-phenylbutylamine
4920	476	0	0	False	aprinocarsen
5017	476	2	0	True	safinamide
5104	476	1	3	True	benzyl_alcohol
5254	476	0	0	False	2'_6'-difluorobiphenyl-4-carboxylic_acid
5602	476	0	0	False	2-(2_4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
5622	476	0	0	False	n-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
5971	476	0	0	False	n_4-dimethyl-n-(1-phenyl-1h-pyrazol-5-yl)benzenesulfonamide
6094	476	0	0	False	2-phenyl-1h-imidazole-4-carboxylic_acid
6463	476	0	0	False	2-((3'-methyl-4'-hydroxyphenyl)azo)benzoic_acid
6964	476	0	0	False	11-[(mercaptocarbonyl)oxy]undecanoic_acid
7148	476	1	2	True	chlorcyclizine
7344	476	0	0	False	butyrfentanyl
7363	476	0	0	False	cp-39_332
9333	476	0	0	False	fenyramidol
10140	476	0	0	False	oxazepam_acetate
10331	476	0	0	False	np-g2-044
10581	476	0	0	False	silmitasertib
10582	476	0	0	False	(s)-propafenone
11199	476	0	0	False	estazolam
11441	476	0	0	False	n-demethyl_orphenadrine
12154	476	0	0	False	3-hydroxymethyl_mefenamic_aci
12418	476	0	0	False	5-fluorouridine-triphosphate
246	477	0	3	True	buclizine
423	477	6	44	True	toremifene
468	477	80	109	True	enalapril
503	477	39	423	True	imatinib
531	477	6	74	True	dextropropoxyphene
1399	477	4	271	True	deferasirox
3025	477	0	0	False	7-methyl-7_8-dihydroguanosine_5'-(tetrahydrogen_triphosphate)
3045	477	0	0	False	hexadecanal
3226	477	0	0	False	n~2~-succinylornithine
3358	477	0	0	False	5'-guanylylmethylenebisphosphonate
3508	477	0	0	False	l-gamma-glutamyl-s-(naphthalen-1-ylmethyl)-l-cysteinylglycine
3812	477	0	0	False	n-(5-amino-5-carboxypentyl)glutamic_acid
4001	477	0	0	False	3-amino-1-chloro-4-phenyl-butanol-2-yl
4193	477	0	0	False	acetophenone
4433	477	1	0	False	lintitript
4654	477	0	0	False	verubulin
5123	477	0	0	False	levopropoxyphene
5546	477	0	0	False	n-({(2s_3s)-3-[(benzylamino)carbonyl]oxiran-2-yl}carbonyl)-l-isoleucyl-l-proline
6091	477	0	0	False	n-(2-(((5-chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2h)-pyridinyl)benzamide
6097	477	0	0	False	(2r_4s)-2-[(r)-benzylcarbamoyl-phenylacetyl-methyl]-5_5-dimethyl-thiazolidine-4-carboxylic_acid
6317	477	0	0	False	(e)-3_4-dihydroxy-n'-[(2-methoxynaphthalen-1-yl)methylene]benzohydrazide
6398	477	0	0	False	2-aminoethyl_naphthalen-1-ylacetate
6663	477	0	0	False	2-[(5_6-diphenylfuro[2_3-d]pyrimidin-4-yl)amino]ethanol
7210	477	1	0	False	cloperastine
7229	477	1	33	False	benfluorex
8267	477	0	0	False	cpi-613
8735	477	0	0	False	intepirdine
8951	477	0	0	False	iowh-032
9118	477	0	0	True	sodium_lauryl_sulfoacetate
10197	477	0	0	False	cavosonstat
10979	477	0	0	False	n-desmethyltoremifene
11559	477	0	0	False	bortezomib_metabolite_m5
11560	477	0	0	False	bortezomib_metabolite_m6
12031	477	0	0	False	n-phenylpropionamide
12432	477	0	0	False	pci-7503_(m23)
12606	477	0	0	False	n-hydroxyphentermine
12926	477	0	0	False	n-desmethylpheniramine
297	478	7	40	True	loxapine
448	478	73	406	True	carbamazepine
516	478	0	61	True	docosanol
1557	478	0	0	False	2_6-dihydroanthra-1_9-cd-pyrazol-6-one
1585	478	0	0	False	adenosine-3'-5'-diphosphate
1722	478	0	0	False	phenylethane_boronic_acid
1747	478	0	0	False	6((s)-3-benzylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyrazine
1835	478	0	0	False	phosphoaminophosphonic_acid_guanylate_ester
2042	478	0	0	False	palmitoyl-linoleoyl_phosphatidylcholine
2476	478	0	0	False	1-hexadecanosulfonic_acid
2551	478	0	0	False	n-(3-propylcarbamoyloxirane-2-carbonyl)-isoleucyl-proline
2595	478	0	0	False	3'-phosphate-adenosine-5'-phosphate_sulfate
2824	478	0	0	False	phosphomethylphosphonic_acid_adenosyl_ester
3164	478	0	0	False	2-(4-chlorophenyl)-5-quinoxalinecarboxamide
3205	478	0	0	False	4-[[(2s)-1-[[6-[(1-amino-1-oxo-3-sulfanylpropan-2-yl)amino]-6-oxohexyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-oxobutanoic_acid
3325	478	0	0	False	(z_z)-4-hydroxy-n_n_n-trimethyl-10-oxo-7-[(1-oxo-9-octadecenyl)oxy]-3_5_9-trioxa-4-phosphaheptacos-18-en-1-aminium-4-oxide
3871	478	0	0	False	(s)-3-(4-(2-carbazol-9-yl-ethoxy)-phenyl)-2-ethoxy-propionic_acid
5244	478	0	0	False	3-(2-aminoquinazolin-6-yl)-4-methyl-n-[3-(trifluoromethyl)phenyl]benzamide
5359	478	0	0	False	n-[2-(2_4-diaminopyrido[2_3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide
5830	478	0	0	False	n-phenyl-1h-pyrrolo[2_3-b]pyridin-3-amine
6103	478	0	0	False	n-[(1s)-2-amino-1-phenylethyl]-5-(1h-pyrrolo[2_3-b]pyridin-4-yl)thiophene-2-carboxamide
6290	478	0	0	False	(2r)-3-{[(benzylamino)carbonyl]amino}-2-hydroxypropanoic_acid
6801	478	0	0	False	3-cyclopropyl-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1_5-a]pyrimidin-7-amine
6851	478	0	0	False	5-(4-methoxybiphenyl-3-yl)-1_2_5-thiadiazolidin-3-one_1_1-dioxide
7071	478	4	29	True	vismodegib
7838	478	0	0	True	cetalkonium
8070	478	7	0	False	3_3'-diindolylmethane
8387	478	0	0	False	abt-751
8596	478	0	0	False	imiglitazar
9215	478	0	0	True	benzododecinium
9926	478	0	0	False	nadide
10183	478	0	0	True	solriamfetol
10610	478	0	0	False	pf-05105679
11646	478	0	0	False	thioguanosine_triphosphate
11823	478	0	0	False	valdecoxib_metabolite_m5
12398	478	0	0	False	imidodibenzyl_metabolite
294	479	17	99	True	alprazolam
679	479	0	1	True	halazepam
1306	479	2	0	False	delorazepam
1406	479	7	16	True	alverine
1851	479	0	0	False	adenosine-2'-5'-diphosphate
1943	479	0	0	False	4-[(4-imidazo[1_2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
2005	479	0	0	False	argininosuccinate
2135	479	0	0	False	12-bromododecanoic_acid
2222	479	0	0	False	carba-nicotinamide-adenine-dinucleotide
2969	479	0	0	False	n-succinyl_phenylglycine
3006	479	0	0	False	heptyl-beta-d-glucopyranoside
3052	479	0	0	False	3-[(2_4-dichlorobenzoyl)(isopropyl)amino]-5-phenylthiophene-2-carboxylic_acid
3089	479	0	0	False	delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-vinylglycine
3774	479	0	0	False	anthranilic_acid
3842	479	0	0	False	n-alpha-(2-naphthylsulfonyl)-n-(3-amidino-l-phenylalaninyl)-d-pipecolinic_acid
4723	479	0	0	False	osi-930
5327	479	0	0	False	2-(5-hydroxy-naphthalen-1-yl)-1_3-benzooxazol-6-ol
5582	479	0	0	False	2-(6-methylpyridin-2-yl)-n-pyridin-4-ylquinazolin-4-amine
5583	479	0	0	False	2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide
6278	479	0	0	False	n~3~-[3-(1h-indol-6-yl)benzyl]pyridine-2_3-diamine
6574	479	0	0	False	1-methyl-3-naphthalen-2-yl-1h-pyrazolo[3_4-d]pyrimidin-4-amine
6592	479	0	0	False	2'-hydroxy-1_1'-biphenyl-2-sulfinic_acid
6688	479	0	0	False	1-{[1-(2-amino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-2-(3-cyano-phenyl)-ethaneboronic_acid
6914	479	0	0	False	2-(hydrazinocarbonyl)-3-phenyl-1h-indole-5-sulfonamide
7111	479	0	19	True	perampanel
7419	479	0	0	False	pivhydrazine
8075	479	0	0	False	acridine_carboxamide
8584	479	0	0	False	selepressin
9106	479	3	78	True	fluindione
9219	479	0	0	True	bumadizone
9518	479	0	0	False	ipriflavone
10359	479	0	0	False	bms-919373
10678	479	0	0	False	o-deethylated_candesartan
10880	479	0	0	False	norclobazam
11017	479	0	0	False	alpha-hydroxy-n-desmethyl-tamoxifen
11554	479	0	0	False	alpha-hydroxy-n-desmethyltamoxifen
11614	479	0	0	False	bortezomib_metabolite_m23_or_m24_(1)
11616	479	0	0	False	bortezomib_metabolite_m23_or_m24_(2)
11685	479	0	0	False	cinnarizine_metabolite_m4
12289	479	0	0	False	5-oh-rofecoxib
66	480	11	4	False	atp
749	480	1	1	True	conivaptan
858	480	7	54	True	dimenhydrinate
943	480	52	85	True	diphenhydramine
1201	480	50	27	True	bezafibrate
1509	480	0	0	False	3-[aminoethylphosphoryl]-[1_2-di-palmitoyl]-sn-glycerol
1618	480	0	0	False	oxidized_coenzyme_a
1806	480	0	0	False	indirubin-3'-monoxime
1900	480	0	0	False	3-amino-4-oxybenzyl-2-butanone
2018	480	0	0	False	(r)-mandelic_acid
2083	480	0	0	False	nicotinamide-adenine-dinucleotide-5-hydroxy-4-oxonorvaline
2158	480	0	0	False	quinaldic_acid
2469	480	0	0	False	n-[(2r)-4-diazonio-3-oxoniumylidene-1-phenylbutan-2-yl]-1-phenylmethoxymethanimidate
3024	480	0	0	False	(s)-mandelic_acid
3291	480	0	0	False	(3e)-3-[(4-hydroxyphenyl)imino]-1h-indol-2(3h)-one
3385	480	0	0	False	flurbiprofen_methyl_ester
3491	480	0	0	False	6-chloro-2-(2-hydroxy-biphenyl-3-yl)-1h-indole-5-carboxamidine
3727	480	0	0	False	allolactose
3762	480	0	0	False	s-hydroxymethyl_glutathione
4183	480	0	0	False	9-hydroxy-4-phenyl-6h-pyrrolo[3_4-c]carbazole-1_3-dione
4249	480	0	0	False	galactose_grease
4462	480	3	0	False	tesmilifene
4485	480	14	16	True	pirfenidone
4612	480	0	0	False	ljp_1082
4777	480	0	0	True	nylidrin
4910	480	0	0	False	tarazepide
5203	480	0	0	False	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-phenylurea
5301	480	0	0	False	(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1_5-a]pyrimidin-3-yl)methanol
5610	480	0	0	False	2-[(7-hydroxy-naphthalen-1-yl)-oxalyl-amino]-benzoic_acid
5895	480	0	0	False	(2r)-3-methyl-1-phenyl-2-butanyl_[(2s)-1-oxo-2-hexanyl]carbamate
6064	480	0	0	False	5-(4-fluorophenyl)-3-{[(4-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic_acid
9156	480	0	0	True	mandelic_acid
9280	480	0	0	False	phenprobamate
9535	480	0	0	False	etanautine
9923	480	1	0	False	benazeprilat
10179	480	7	46	True	polymyxin_b
11346	480	0	0	False	benazeprilat
11462	480	0	0	False	n_n-didemethyl_orphenadrine
8	481	0	0	False	felypressin
410	481	0	16	True	tolnaftate
527	481	13	30	True	mebendazole
1390	481	0	0	True	tiaprofenic_acid
3831	481	0	0	False	dihydro-acarbose
4307	481	0	0	False	4-[(4-methyl-1-piperazinyl)methyl]-n-[3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide
4315	481	0	0	False	11-trans-13-trans-15-cis-octadecatrienoic_acid
4591	481	0	0	False	c31g
5365	481	0	0	False	2'_4'-dichloro-4-hydroxy-1_1'-biphenyl-3-carboxylic_acid
5598	481	0	0	False	9-benzyl-2_3_4_9-tetrahydro-1h-carbazole-8-carboxylic_acid
5933	481	0	0	False	n-dodecyl-n_n-dimethylglycinate
6385	481	0	0	False	3_5-dibromobiphenyl-4-ol
6387	481	0	0	False	n-(3_5-dibromo-4-hydroxyphenyl)benzamide
6521	481	0	0	False	n_4-dimethyl-3-[(1-phenyl-1h-pyrazolo[3_4-d]pyrimidin-4-yl)amino]benzamide
6613	481	0	0	False	n_n'-diphenylpyrazolo[1_5-a][1_3_5]triazine-2_4-diamine
6668	481	0	0	False	2-amino-1-methyl-6-phenylimidazo(4_5-b)pyridine
6938	481	0	0	False	o-decyl_hydrogen_thiocarbonate
9369	481	2	0	False	phenibut
9378	481	0	0	False	ornipressin
9618	481	1	0	False	terodiline
9662	481	0	0	False	myristalkonium
9732	481	0	0	False	pyrrobutamine
9825	481	0	0	False	pipequaline
9920	481	0	0	True	phenylethyl_resorcinol
10696	481	0	0	False	n-desmethyltamoxifen
11526	481	0	0	False	descarbonyl-lacosamide
11575	481	0	0	False	bortezomib_metabolite_m25
11577	481	0	0	False	bortezomib_metabolite_m26
11578	481	0	0	False	bortezomib_metabolite_m27
11579	481	0	0	False	bortezomib_metabolite_m28
11683	481	0	0	False	cinnarizine_metabolite_m2
11821	481	0	0	False	valdecoxib_metabolite_m7
12195	481	0	0	False	desmethylselegiline
182	482	4	187	True	atomoxetine
392	482	9	300	True	ritonavir
1355	482	0	0	False	1-(2-phenylethyl)-4-phenyl-4-acetoxypiperidine
1386	482	7	63	True	nitrazepam
2090	482	0	0	False	methyl-o3-(alpha-d-mannose)-alpha-d-mannose
2206	482	0	0	False	n-benzylformamide
2425	482	0	0	False	cellotetraose
2501	482	0	0	False	3-phenyl-1_2-propandiol
2751	482	0	0	False	cytidine-5'-diphospho-beta-d-xylose
2877	482	0	0	False	sphingosine
3030	482	0	0	False	3-acetylpyridine_adenine_dinucleotide
3096	482	0	0	False	uridine-5'-diphosphate
3120	482	0	0	False	nicotinamide_adenine_dinucleotide_phosphate
3322	482	0	0	False	s-(4-nitrobenzyl)glutathione
4235	482	0	0	False	cyclohexyl-pentyl-maltoside
4326	482	0	0	False	2-[2-ethanesulfonylamino-3-(1h-indol-3-yl)-propionylamino]-pentanedioic_acid_5-amide_1-(4-carbamim_idoyl-benzylamide)
5523	482	0	0	False	2-(4-hydroxy-5-phenyl-1h-pyrazol-3-yl)-1h-benzoimidazole-5-carboxamidine
5624	482	0	0	False	5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic_acid
5910	482	0	0	False	n-(5-{[(2s)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1h-indazol-3-yl)benzamide
5912	482	0	0	False	naphthalene-1_2-diol
6519	482	0	0	False	n-(4-chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
6824	482	0	0	False	4-(4-styryl-phenylcarbamoyl)-butyric_acid
6925	482	0	0	False	methyl_n-[(2s_3r)-3-amino-2-hydroxy-3-(4-isopropylphenyl)propanoyl]-d-alanyl-d-leucinate
7458	482	2	0	False	setiptiline
7668	482	0	0	True	dl-dimyristoylphosphatidylcholine
8433	482	0	0	False	trehalose
9450	482	0	0	False	isobromindione
9591	482	0	0	False	bromochlorosalicylanilide
10236	482	1	0	False	nebicapone
10882	482	0	0	False	4'-hpph
11093	482	0	0	False	maltotetraose
12104	482	0	0	False	4-(4-tert-butylphenyl)-4-oxobutanal
1379	483	1	54	True	prazepam
1420	483	0	0	False	methyl_nonanoate_(ester)
1684	483	0	0	False	maltosyl-alpha_(1_4)-d-gluconhydroximo-1_5-lactam
1686	483	0	0	False	benzhydroxamic_acid
2096	483	0	0	False	2'-monophosphoadenosine-5'-diphosphate
2099	483	0	0	False	cra_10762
2952	483	0	0	False	2'-deoxymaltose
3183	483	0	0	False	phosphomethylphosphonic_acid_guanylate_ester
3261	483	0	0	False	2-(acetylamino)-2-deoxy-4-o-beta-d-galactopyranosyl-alpha-d-glucopyranose
4012	483	0	0	False	4-methyl-n-[(2s)-1-oxo-3-phenyl-1-[[(3s)-1-phenyl-5-(phenylmethoxysulfamoyl)pentan-3-yl]amino]propan-2-yl]piperazine-1-carboxamide
4099	483	0	0	False	caprylic_acid
4252	483	0	0	False	(2r)-3-{[{[(2s)-2_3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(9e)-hexadec-9-enoyloxy]propyl_(9e)-octadec-9-enoate
4269	483	0	0	False	glutathione_sulfinate
4620	483	0	0	False	chlorotoxin_i-131
5578	483	0	0	False	[{2-bromo-4-[(2r)-3-oxo-2_3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic_acid
5651	483	0	0	False	4-[3-(1h-benzimidazol-2-yl)-1h-indazol-6-yl]-2-methoxyphenol
5949	483	0	0	False	(2r)-1-[(5_6-diphenyl-7h-pyrrolo[2_3-d]pyrimidin-4-yl)amino]propan-2-ol
6770	483	0	0	False	n-[[2-methyl-4-hydroxycarbamoyl]but-4-yl-n]-benzyl-p-[phenyl]-p-[methyl]phosphinamid
7014	483	0	0	False	[n-(benzyloxycarbonyl)amino](4-amidinophenyl)methane-phosphonate
7218	483	0	0	False	beclamide
7535	483	0	0	True	cetyl_alcohol
7686	483	0	0	True	1-palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol))
7992	483	0	0	False	nrx-1074
9277	483	0	0	False	piperidolate
11824	483	0	0	False	valdecoxib_metabolite_m1
11841	483	0	0	False	norfluoxetine_acid
12863	483	0	0	False	(e)-dehydrowarfarin
12864	483	0	0	False	(z)-dehydrowarfarin
12874	483	0	0	False	meclizine_metabolite_m2
125	484	3	111	True	temazepam
959	484	0	17	True	butenafine
2128	484	0	0	False	6-[n-(4-(aminomethyl)phenyl)carbamyl]-2-naphthalenecarboxamidine
2701	484	0	0	False	n-acetyl-beta-d-glucosaminyl-(1->4)-n-acetyl-beta-d-glucosamine
2843	484	0	0	False	nicotinamide_adenine_dinucleotide_cyclohexanone
3288	484	0	0	False	3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic_acid
3426	484	0	0	False	3-aminomethyl-pyridinium-adenine-dinucleotide
3660	484	0	0	False	4-{2-[(3-nitrobenzoyl)amino]phenoxy}phthalic_acid
4891	484	4	0	False	xaliproden
5214	484	0	0	False	1-dodecanol
5693	484	0	0	False	1_1_1-trifluoro-3-acetamido-4-phenyl_butan-2-one(n-acetyl-l-phenylalanyl_trifluoromethyl_ketone)
6213	484	0	0	False	n-[3-(n'-hydroxycarboxamido)-2-(2-methylpropyl)-propanoyl]-o-tyrosine-n-methylamide
6415	484	0	0	False	n-(4-sulfamoylphenyl)-1h-indazole-3-carboxamide
6417	484	0	0	False	n-phenyl-1h-pyrazole-3-carboxamide
6501	484	0	0	False	n-{4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
6552	484	0	0	False	n-dodecanoyl-l-tyrosine
6890	484	0	0	False	6-benzyl-1-benzyloxymethyl-5-isopropyl_uracil
6957	484	0	0	False	6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1_2-dihydropyridine-3-carbonitrile
7205	484	3	12	False	dexetimide
8721	484	0	0	False	emapunil
9209	484	1	0	False	clorindione
9392	484	0	0	False	histapyrrodine
10157	484	0	0	False	ceramide_ap
603	485	24	74	True	lisinopril
656	485	18	122	True	oxcarbazepine
801	485	27	7	True	phenoxybenzamine
1043	485	1	61	True	cyclizine
1892	485	0	0	False	n1-(1-dimethylcarbamoyl-2-phenyl-ethyl)-2-oxo-n4-(2-pyridin-2-yl-ethyl)-succinamide
1939	485	0	0	False	phenylethyl_alcohol
2159	485	0	0	False	4-(aminosulfonyl)-n-[(4-fluorophenyl)methyl]-benzamide
2444	485	0	0	False	adenosine-5'-pentaphosphate
3356	485	0	0	False	2'-deoxy-thymidine-beta-l-rhamnose
3516	485	0	0	False	thionicotinamide-adenine-dinucleotide
3589	485	0	0	False	acarbose_derived_hexasaccharide
3763	485	0	0	False	n-methyl-n-[3-(6-phenyl[1_2_4]triazolo[4_3-b]pyridazin-3-yl)phenyl]acetamide
3922	485	1	0	False	phenethylamine
4853	485	0	0	False	tanomastat
5221	485	0	0	False	4-(1-methyl-1-phenylethyl)phenol
5525	485	0	0	False	(8r_9z_12z)-8-hydroxy-6-oxooctadeca-9_12-dienoic_acid
5560	485	0	0	False	6-[2-(3'-methoxybiphenyl-3-yl)ethyl]pyridin-2-amine
5616	485	0	0	False	9h-carbazole
6532	485	0	0	False	2-naphthalenesulfonic_acid
6728	485	0	0	False	n-(4-phenylamino-quinazolin-6-yl)-acrylamide
7352	485	0	0	False	benzylfentanyl
7638	485	0	0	True	dioxybenzone
7669	485	1	0	True	dl-dimyristoylphosphatidylglycerol
8082	485	0	0	False	lanicemine
8091	485	0	0	False	oc-459
9218	485	0	0	False	etilamfetamine
9965	485	0	0	True	4-(isopropylamino)diphenylamine
11877	485	0	0	False	oxcarbazepine
12471	485	0	0	False	norbenzydamine
12988	485	0	0	False	tamoxifen_metabolite_y
660	486	16	73	True	phenelzine
814	486	5	0	True	meclofenamic_acid
1325	486	0	0	False	α-methylacetylfentanyl
3289	486	0	0	False	(2s_2's)-2_2'-(1_2-hydrazinediylbis{methylene[(2s)-1-oxo-2_1-hexanediyl]imino})bis(6-amino-n-phenylhexanamide)
3458	486	0	0	False	[(z)-octadec-9-enyl]_(2r)-2_3-bis(oxidanyl)propanoate
3464	486	0	0	False	morpholine-4-carboxylic_acid_(1-(3-benzenesulfonyl-1-phenethylallylcarbamoyl)-3-methylbutyl)-amide
3746	486	0	0	False	lysophosphotidylserine
4392	486	3	0	True	prenylamine
4444	486	2	0	False	vatalanib
4508	486	0	0	True	ataluren
4787	486	0	0	False	indibulin
5426	486	0	0	False	4'-fluoro-1_1'-biphenyl-4-carboxylic_acid
5469	486	0	0	False	4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5h)-one
5778	486	0	0	False	(3as)-3a-hydroxy-1-phenyl-1_2_3_3a-tetrahydro-4h-pyrrolo[2_3-b]quinolin-4-one
6117	486	0	0	False	4-{[1-methyl-2_4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1_4-dihydroquinazolin-3(2h)-yl]methyl}benzoic_acid
6531	486	0	0	False	nam_napthylaminoalanine
6735	486	0	0	False	3-(4-fluorophenyl)-5-phenyl-4h-1_2_4-triazole
6797	486	0	0	False	3-bromo-5-phenyl-n-(pyridin-3-ylmethyl)pyrazolo[1_5-a]pyrimidin-7-amine
8071	486	0	0	False	alanyl_glutamine
9261	486	0	0	False	pinazepam
9286	486	0	0	False	trimethyldiphenylpropylamine
9567	486	0	0	False	sulbentine
9917	486	0	0	False	ceramide_np
10660	486	23	0	False	chrysin
707	487	93	178	True	diazepam
1301	487	0	0	False	diampromide
2564	487	0	0	False	3-amino-5-phenylpentane
2691	487	0	0	False	glutathione_sulfonic_acid
3241	487	0	0	False	gamma-glutamyl[s-(2-iodobenzyl)cysteinyl]glycine
3665	487	0	0	False	coelenteramide
3747	487	0	0	False	guanosine-5'-triphosphate
3890	487	0	0	False	genz-10850
4094	487	0	0	False	phosphoric_acid-2'-[2'-deoxy-uridine]ester-5'-guanosine_ester
4615	487	0	0	False	paliroden
4769	487	0	0	False	kx-01
5210	487	0	0	False	(2r)-2-phenyl-n-pyridin-4-ylbutanamide
5252	487	0	0	False	n-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
5437	487	0	0	False	1-chloro-6-(4-hydroxyphenyl)-2-naphthol
6338	487	0	0	False	n-(2-chlorophenyl)-5-phenylimidazo[1_5-a]pyrazin-8-amine
6451	487	0	0	False	(2z)-n-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
6657	487	0	0	False	2-{[4-(1-methyl-4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline
8780	487	0	0	False	bindarit
9546	487	0	0	False	proquazone
9731	487	0	0	False	etafenone
10295	487	0	0	False	motixafortide
11237	487	0	0	False	2-amino-5-benzoylbenzimidazole
11682	487	0	0	False	cinnarizine_metabolite_m1
11825	487	0	0	False	valdecoxib_metabolite_m4
12650	487	0	0	False	n-desmethylatomoxetine
565	488	61	0	True	warfarin
2231	488	0	0	False	4-hydroxy-3-[(1s)-3-oxo-1-phenylbutyl]-2h-chromen-2-one
2477	488	0	0	False	diundecyl_phosphatidyl_choline
3877	488	0	0	False	n-[n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-butyl]-guanidine
3888	488	0	0	False	(s)-5-(4-benzyloxy-phenyl)-4-(7-phenyl-heptanoylamino)-pentanoic_acid
4400	488	1	2	False	methaqualone
4618	488	0	0	False	ezatiostat
5599	488	0	0	False	n~3~-(3-pyridin-3-ylbenzyl)pyridine-2_3-diamine
5611	488	0	0	False	(5z)-3-(4-chlorophenyl)-4-hydroxy-5-(1-naphthylmethylene)furan-2(5h)-one
5664	488	0	0	False	(1s)-2-{[{[(2s)-2_3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(pentanoyloxy)methyl]ethyl_octanoate
5960	488	0	0	False	ac-(d)phe-pro-borohomolys-oh
6169	488	0	0	False	2-((4'-hydroxyphenyl)-azo)benzoic_acid
6189	488	0	0	False	5-chloro-6-methyl-n-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
6217	488	0	0	False	(3r)-3-hydroxydodecanoic_acid
6326	488	0	0	False	1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
6573	488	0	0	False	4-[8-(3-nitrophenyl)-1_7-naphthyridin-6-yl]benzoic_acid
6590	488	0	0	False	5-methyl-6-phenylquinazoline-2_4-diamine
6695	488	0	0	False	3(s)-amino-4-phenyl-butan-2(s)-ol
6759	488	0	0	False	(r)-warfarin
7273	488	0	30	True	benzydamine
8043	488	4	0	False	entinostat
8419	488	3	44	True	nefopam
9376	488	0	0	False	bephenium
9868	488	0	289	False	(s)-warfarin
11822	488	0	0	False	valdecoxib_metabolite_m8
146	489	68	203	True	phenytoin
512	489	2	77	True	clorazepic_acid
821	489	3	121	True	phenprocoumon
1805	489	0	0	False	4-nitrophenyl_(3s)-3-({n-[(benzyloxy)carbonyl]-l-phenylalanyl}amino)-5-phenyl-1-pentanesulfonate
2717	489	0	0	False	s-octylglutathione
2760	489	0	0	False	pasbn
3248	489	0	0	False	(2s)-2-[(2_4-dichloro-benzoyl)-(3-trifluoromethyl-benzyl)-amino]-3-phenyl-propionic_acid
3875	489	0	0	False	5_4'-dideoxyflavanone
3998	489	0	0	False	3-phenylpropylamine
4792	489	4	0	False	darinaparsin
5518	489	0	0	False	6-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1h)-one
5955	489	0	0	False	n-(5_6-diphenylfuro[2_3-d]pyrimidin-4-yl)glycine
5957	489	0	0	False	3-amino-3-benzyl-[4.3.0]bicyclo-1_6-diazanonan-2-one
6899	489	0	0	False	2-(2-{2-[(biphenyl-4-ylmethyl)-amino]-3-mercapto-pentanoylamino}-acetylamino)-3-methyl-butyric_acid_methyl_ester
6942	489	0	0	False	undecan-2-one
7206	489	0	0	False	demexiptiline
7526	489	7	6	True	enalaprilat
7776	489	0	0	True	sulfaquinoxaline
8168	489	0	0	False	oprozomib
10110	489	1	0	True	lypressin
11659	489	0	0	False	phenytoin
11758	489	0	0	False	enalaprilat
12882	489	0	0	False	α-naphthoxylactic_acid
1206	490	2	16	True	salsalate
1422	490	0	0	False	deoxy-2-fluoro-beta-d-cellotrioside
1471	490	0	0	False	beta-mannobiose
1615	490	0	0	False	3'-phosphate-adenosine-5'-diphosphate
1815	490	0	0	False	cellobiose
1822	490	0	0	False	n-(2-flouro-benzyl)-4-sulfamoyl-benzamide
1946	490	0	0	False	3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene
2160	490	0	0	False	trehalose-6-phosphate
2382	490	0	0	False	rb106
2448	490	0	0	False	beta-d-galactopyranosyl-(1->4)-beta-d-galactopyranose
2725	490	0	0	False	udp-alpha-d-glucuronic_acid
2800	490	0	0	False	(1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetic_acid
2993	490	0	9	False	maltose
3034	490	0	0	False	pf-00356231
3649	490	0	0	False	z-ala_prolinal
4047	490	0	0	True	lactose
4065	490	0	0	False	l-phenylalaninol
4320	490	0	0	False	phosphatidyl_ethanol
5202	490	0	0	False	1-[1-(3-aminophenyl)-3-tert-butyl-1h-pyrazol-5-yl]-3-naphthalen-1-ylurea
5243	490	0	0	False	(2r)-2-benzyl-3-nitropropanoic_acid
5328	490	0	0	False	n-benzyl-4-[4-(3-chlorophenyl)-1h-pyrazol-3-yl]-1h-pyrrole-2-carboxamide
5468	490	0	0	False	4-(4-hydroxyphenyl)-1-naphthaldehyde_oxime
5685	490	0	0	False	3-(10-methyl-9-anthryl)propanoic_acid
5711	490	0	0	False	1-ethoxycarbonyl-d-phe-pro-2(4-aminobutyl)hydrazine
6656	490	0	0	False	2-{[4-(4-pyridin-4-yl-1h-pyrazol-3-yl)phenoxy]methyl}quinoline
6788	490	0	0	False	carbobenzyloxy-(l)-leucinyl-(l)leucinyl_methoxymethylketone
7047	490	2	0	True	antazoline
8733	490	0	0	False	relamorelin
8895	490	0	0	False	ezutromid
10180	490	0	0	False	lauryl_glucoside
10345	490	0	0	False	cxa-10
10629	490	0	0	False	cambinol
11064	490	0	0	False	maltose
11689	490	0	0	False	n_n-didesmethyldiphenhydramine
615	491	0	3	True	naftifine
719	491	9	68	True	oxazepam
1580	491	0	0	False	n-[(3z)-5-tert-butyl-2-phenyl-1_2-dihydro-3h-pyrazol-3-ylidene]-n'-(4-chlorophenyl)urea
1687	491	0	0	False	2'-chloro-biphenyl-2_3-diol
2661	491	0	0	False	1-benzyl-(r)-propylamine
2965	491	0	0	False	glutathionylspermidine
3176	491	0	0	False	brequinar
5131	491	0	45	True	nepafenac
6149	491	0	0	False	(2r)-2-(4-chlorophenyl)-2-phenylethanamine
6349	491	0	0	False	n-[3-(1h-benzimidazol-2-yl)-1h-pyrazol-4-yl]benzamide
6443	491	0	0	False	(s)-2-(mercaptomethyl)-5-phenylpentanoic_acid
7575	491	0	0	True	n-acetyltyrosine
8015	491	0	0	False	etarfolatide
9185	491	0	0	True	phthalylsulfathiazole
9355	491	1	0	False	medazepam
9511	491	0	0	False	chlormidazole
9530	491	0	0	False	bibenzonium
10138	491	0	0	False	lauroyl_chloride
10158	491	0	0	False	ceramide_ng
10274	491	1	0	False	imetelstat
10849	491	0	0	False	oxazepam
11272	491	0	0	False	3-hydroxynordiazepam
53	492	0	0	True	nadh
1635	492	0	0	False	5'-guanosine-diphosphate-monothiophosphate
2017	492	0	0	False	benzoylformic_acid
3128	492	0	0	False	6-phenyl-4(r)-(7-phenyl-heptanoylamino)-hexanoic_acid
4111	492	0	0	False	benzylcysteine
4297	492	0	0	False	lividomycin_a
4339	492	0	0	False	1-guanidino-4-(n-phenylmethanesulfonyl-l-leucyl-l-prolylamino)butane
4449	492	1	0	False	dapoxetine
5130	492	0	0	False	monoctanoin
5492	492	0	0	False	n-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
5526	492	0	0	False	3-bromo-5-phenyl-n-(pyridin-4-ylmethyl)pyrazolo[1_5-a]pyrimidin-7-amine
6170	492	0	0	False	n-{[2-({[1-(4-carboxybutanoyl)amino]-2-phenylethyl}-hydroxyphosphinyl)oxy]acetyl}-2-phenylethylamine
6210	492	0	0	False	octyl_alpha-l-altropyranoside
6211	492	0	0	False	octyl_beta-d-galactopyranoside
6508	492	0	0	False	[n-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic_acid
6648	492	0	0	False	(2r)-3-(phosphonooxy)propane-1_2-diyl_diheptanoate
7580	492	0	0	True	ensulizole
8484	492	1	0	False	indirubin
9350	492	0	0	False	lonazolac
11557	492	0	0	False	bortezomib_metabolite_m3
1532	493	0	0	False	4-oxo-nicotinamide-adenine_dinucleotide_phosphate
2178	493	0	0	False	b-nonylglucoside
2836	493	0	0	False	thymidine-5'-diphospho-beta-d-xylose
3127	493	0	0	False	trypanothione
3477	493	0	0	False	carbazole_butanoic_acid
3600	493	0	0	False	compound_5__2-(naphthalen-1-yl-oxalyl-amino)-benzoicacid
3610	493	0	0	False	3-(benzoylamino)-l-alanine
3667	493	0	0	False	5-phenylvaleric_acid
3686	493	0	0	False	cpad
4338	493	0	0	False	1-guanidino-4-(n-nitro-benzoylamino-l-leucyl-l-prolylamino)butane
4387	493	0	0	True	nialamide
5990	493	0	0	False	2-({[3-(3_4-dihydroisoquinolin-2(1h)-ylsulfonyl)phenyl]carbonyl}amino)benzoic_acid
6070	493	0	0	False	famoxadone
6690	493	0	0	False	[phenylalaninyl-prolinyl]-[2-(pyridin-4-ylamino)-ethyl]-amine
6823	493	0	0	False	benzyl_6-benzyl-5_7-dioxo-6_7-dihydro-5h-[1_3]thiazolo[3_2-c]pyrimidine-2-carboxylate
7608	493	0	1	True	phenyltoloxamine
9127	493	0	0	True	plecanatide
9962	493	0	0	True	diphenylguanidine
10443	493	0	0	False	rsv-604
10870	493	0	0	False	n-desalkylpropafenone
11443	493	0	0	False	n-depropylpropafenone
11671	493	0	0	False	ritonavir_metabolite_m1
12023	493	0	0	False	(s)-n-despropylpropafenone
12145	493	0	0	False	4-hydroxy-n-methyl-2-oxo-n-phenyl-1_2-dihydroquinoline-3-carboxamide
663	494	17	0	True	mefenamic_acid
2155	494	0	0	False	hexadecyl_octanoate
3327	494	0	0	False	1-hexadecanosulfonyl-o-l-serine
6362	494	0	0	False	amg-208
7285	494	7	76	True	benzoyl_peroxide
7865	494	0	0	False	depreotide
7887	494	6	0	False	rebamipide
8323	494	0	0	False	telinavir
9357	494	0	0	False	fenpiprane
9455	494	1	0	False	bifemelane
9515	494	0	0	True	mifamurtide
9885	494	0	0	False	reversin_121
10731	494	0	0	False	1-naphtaldehyde
11076	494	0	0	False	hippuric_acid
11670	494	0	0	False	1-nahthalenemethanol
12613	494	0	0	False	n-acetyl-n-desmethyldiphenhydramine
625	495	0	0	True	modafinil
1013	495	0	1	True	diphenylpyraline
1192	495	0	0	False	aluminium_monostearate
1408	495	0	0	True	phenindamine
4270	495	0	0	False	s-methyl-glutathione
4303	495	0	0	False	monogalactosyl-diacylglycerol
4902	495	0	63	True	armodafinil
4945	495	0	0	False	gw-559090
5070	495	0	0	True	sulfaphenazole
5161	495	0	0	False	methyl_l-phenylalaninate
5751	495	0	0	False	(2z)-n-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide
5774	495	0	0	False	(1r)-2-phenylacetamido-2-(3-carboxyphenyl)ethyl_boronic_acid
6126	495	0	0	False	[4-(5-naphthalen-2-yl-1h-pyrrolo[2_3-b]pyridin-3-yl)phenyl]acetic_acid
7450	495	1	0	True	sacubitril
11018	495	0	0	False	n-didesmethyl-tamoxifen
12987	495	0	0	False	n_n-didesmethyltamoxifen
1479	496	0	0	False	beta-cellotriose
1502	496	0	0	False	(2z)-2-(benzoylamino)-3-[4-(2-bromophenoxy)phenyl]-2-propenoic_acid
2093	496	0	0	False	bis-napthyl_beta-ketophosphonic_acid
2370	496	14	0	False	ly-294002
2948	496	0	0	False	alpha-maltotriose
3422	496	2	0	True	benzoic_acid
3850	496	0	0	False	beta-(1->4)-galactotriose
4502	496	0	0	False	agro100
4821	496	0	0	True	lacosamide
5608	496	0	0	False	benzyl_(2-oxopropyl)carbamate
6138	496	0	0	False	s-nonyl-cysteine
6276	496	0	0	False	n-[(1r)-3-(4-hydroxyphenyl)-1-methylpropyl]-2-(2-phenyl-1h-indol-3-yl)acetamide
6530	496	0	0	False	2-((4'-hydroxynaphthyl)-azo)benzoic_acid
9275	496	0	0	False	talastine
9930	496	0	0	False	octyldodecanol
11091	496	0	0	False	maltotriose
11899	496	0	0	False	benzoic_acid
12137	496	0	0	False	5-chloro-4-hydroxy-1-methyl-2-oxo-n-phenyl-1_2-dihydroquinoline-3-carboxamide
12868	496	0	0	False	despropionylfentanyl
170	497	6	22	True	amsacrine
617	497	4	65	True	meclizine
881	497	18	80	True	ketoprofen
1370	497	4	68	True	metamfetamine
1516	497	0	0	False	[3-(dodecanoylamino)propyl](hydroxy)dimethylammonium
1816	497	0	0	False	n-[3-[(1-aminoethyl)(hydroxy)phosphoryl]-2-(1_1'-biphenyl-4-ylmethyl)propanoyl]alanine
3737	497	0	0	False	n-[1-hydroxycarboxyethyl-carbonyl]leucylamino-2-methyl-butane
4247	497	0	0	False	h_type_ii_trisaccharide
4942	497	0	0	False	furaprofen
5451	497	0	0	False	d-phenylalanyl-n-(3-methylbenzyl)-l-prolinamide
5679	497	0	0	False	naphthalen-2-yl-3-alanine
6107	497	0	0	False	n-(p-cyanophenyl)-n'-diphenylmethyl-guanidine-acetic_acid
6307	497	0	0	False	1-[2-(s)-amino-3-biphenyl-4-yl-propionyl]-pyrrolidine-2-(s)-carbonitrile
6706	497	4	15	True	parecoxib
7013	497	0	0	False	o-(((1r)-((n-phenylmethoxycarbonyl-l-alanyl)amino)ethyl)hydroxyphosphono)-l-benzylacetic_acid
7383	497	1	15	True	dexketoprofen
7557	497	0	0	True	levmetamfetamine
8113	497	0	0	False	safingol
9850	497	0	0	False	nordazepam
11201	497	0	0	False	methamphetamine
11371	497	0	0	False	desmethyldiazepam
11574	497	0	0	False	bortezomib_metabolite_m34
1544	498	0	0	False	beta-(2-naphthyl)-alanine
2073	498	0	0	False	nadph_dihydro-nicotinamide-adenine-dinucleotidephosphate
2834	498	0	0	False	cra_8696
3155	498	0	0	False	tricosanoic_acid
3187	498	0	0	False	benzyl_n-[(2s)-5-(diaminomethylamino)-1-[[(2s)-4-fluoro-3-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
3640	498	0	0	False	gdp-alpha-d-mannuronic_acid
3711	498	0	0	False	deamido-nad+
4250	498	0	0	False	beta-methyllactoside
4500	498	0	0	False	denufosol
5134	498	0	0	True	phenyl_aminosalicylate
5441	498	0	0	False	n-(4-methylbenzoyl)-4-benzylpiperidine
6150	498	0	0	False	(2r)-n-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide
6333	498	0	0	False	5-phenyl-2-keto-valeric_acid
6562	498	0	0	False	naphthyloxyacetic_acid
6646	498	0	0	False	phenylalanylmethylchloride
8823	498	0	0	False	p-quaterphenyl
9273	498	0	0	False	diphenadione
39	499	29	23	True	glutathione
77	499	19	41	True	amphetamine
1369	499	21	64	True	dextroamphetamine
1541	499	0	0	False	7-thionicotinamide-adenine-dinucleotide_phosphate
1942	499	0	0	False	uridine-diphosphate-n-acetylgalactosamine
3061	499	0	0	False	uridine-diphosphate-n-acetylglucosamine
4078	499	0	0	False	2'-monophosphoadenosine-5'-diphosphoribose
4248	499	0	0	False	human_blood_group_h_type_1_trisaccharide
5279	499	0	0	False	n-[(1r_2r_3e)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide
5440	499	0	0	False	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
5727	499	0	0	False	(2s)-2-(butyryloxy)-3-hydroxypropyl_nonanoate
6272	499	0	0	False	[2-(5-mercapto-[1_3_4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic_acid_benzyl_ester
6705	499	0	0	False	(2e_4r_5s)-2_3_4_5-tetrahydroxy-6-(palmitoyloxy)hex-2-enoic_acid
7417	499	0	0	False	pheniprazine
7917	499	0	0	False	pavinetant
8034	499	0	0	False	mocetinostat
9570	499	0	0	False	cridanimod
10964	499	0	0	False	modafinil_acid
11056	499	0	0	False	glutathione
11188	499	0	0	False	amphetamine
417	500	22	1030	True	rofecoxib
3578	500	0	0	False	7-methyl-guanosine-5'-triphosphate-5'-guanosine
4453	500	2	0	False	bifeprunox
4686	500	0	0	False	flovagatran
4924	500	2	0	False	remacemide
6479	500	0	0	False	n-[(benzyloxy)carbonyl]-l-cysteinylglycine
7702	500	6	0	False	roquinimex
8008	500	0	0	False	rapastinel
11472	500	0	0	False	o-desmethyl-lacosamide
11820	500	0	0	False	valdecoxib_metabolite_m2
12496	500	0	0	False	15-hetre
2218	501	0	0	False	alpha-hydroxy-beta-phenyl-propionic_acid
3311	501	0	0	False	9-n-phenylmethylamino-tacrine
4279	501	0	0	False	(e)-(s)-4-[(s)-4-methyl-2-((s)-3-methyl-2{(s)-2-[(5-methyl-isoxazole-3-_carbonyl)-amino]-propionylamino}-butyrylamino)-pentanoylamino]-5-((s)-2-_oxo-pyrrolidin-3-yl)-pent-2-enoic_acid_ethyl_ester
5744	501	0	0	False	honh-benzylmalonyl-l-alanylglycine-p-nitroanilide
5958	501	0	0	False	phosphonic_acid_2-dodecanoylamino-hexyl_ester_propyl_ester
6419	501	0	0	False	(4e)-n-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4h-pyrazole-3-carboxamide
9696	501	0	0	False	mebhydrolin
11927	501	0	0	False	selenodiglutathione
988	502	1	6	True	phenacemide
2752	502	0	0	False	selenazole-4-carboxyamide-adenine_dinucleotide
5756	502	0	0	False	(2s)-3-[(r)-[(1s)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic_acid
5961	502	0	0	False	ac-(d)phe-pro-borohomoornithine-oh
6771	502	0	0	False	n-benzoyl-d-alanine
6954	502	0	0	False	2_5-diphenylfuran-3_4-dicarboxylic_acid
11672	502	0	0	False	ritonavir_metabolite_m11
12989	502	0	0	False	tamoxifen_metabolite_e
510	503	1	62	True	bacitracin
1529	503	0	0	False	1-naphthaleneacetic_acid
3337	503	0	0	False	n-{4-[(carboxymethyl)carbamoyl]benzoyl}-l-valyl-n-[(3s)-1_1_1-trifluoro-4-methyl-2-oxo-3-pentanyl]-l-prolinamide
5420	503	0	0	False	(2s)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic_acid
5790	503	0	0	False	1_1'-biphenyl-2-sulfinic_acid
7675	503	0	0	False	palmitoyl_oligopeptide
8663	503	0	0	False	ec-18
11555	503	0	0	False	bortezomib_metabolite_m1
11556	503	0	0	False	bortezomib_metabolite_m2
464	504	2	111	True	valdecoxib
2276	504	0	0	False	udp-6-sulfoquinovose
3005	504	0	0	False	1-(2-amidinophenyl)-3-(phenoxyphenyl)urea
3135	504	0	0	False	2'-o-acetyl_adenosine-5-diphosphoribose
3507	504	0	0	False	phenylpyruvic_acid
4361	504	0	6	True	bifonazole
5143	504	12	18	True	phenylbutyric_acid
5261	504	0	0	False	n-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-l-prolinamide
5754	504	0	0	False	n-(biphenyl-4-ylsulfonyl)-d-leucine
5815	504	0	0	False	4-(5-benzenesulfonylamino-1-methyl-1h-benzoimidazol-2-ylmethyl)-benzamidine
5959	504	0	0	False	ac-(d)phe-pro-borolys-oh
6911	504	0	0	False	5-amino-2-methyl-n-[(1r)-1-naphthalen-1-ylethyl]benzamide
7828	504	0	0	False	aminacrine
8756	504	0	0	False	ar-42
1735	505	0	0	False	aminoanthracene
1927	505	0	0	False	o-trifluoromethylphenyl_anthranilic_acid
2085	505	0	0	False	3-(benzyloxy)pyridin-2-amine
2951	505	0	0	False	p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate
4056	505	0	0	False	1-anilino-8-naphthalene_sulfonate
5323	505	0	0	False	d-phenylalanyl-n-{4-[amino(iminio)methyl]benzyl}-l-prolinamide
5666	505	0	0	False	o-(((1r)-((n-(phenyl-methoxy-carbonyl)-alanyl)-amino)methyl)hydroxyphosphinyl)3-l-phenyllactate
5829	505	0	0	False	n-[(2r_3s)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide
6207	505	0	0	False	n-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide
6429	505	0	0	False	4-[3-(dibenzylamino)phenyl]-2_4-dioxobutanoic_acid
6588	505	0	0	False	2-amino-n_n-bis(phenylmethyl)-1_3-oxazole-5-carboxamide
7413	505	0	0	False	benmoxin
7647	505	0	0	False	glyceryl_monostearate
8956	505	0	0	False	lerisetron
9939	505	0	0	False	glyceryl_stearate_se
1121	506	7	137	True	lisdexamfetamine
1506	506	0	0	False	2-{2-hydroxy-[1_1'-biphenyl]-3-yl}-1h-1_3-benzodiazole-5-carboximidamide
1734	506	0	0	False	ampcpr
3981	506	0	0	False	ado-p-ch2-p-ps-ado
5783	506	0	0	False	n-[4-(aminosulfonyl)phenyl]-2-mercaptobenzamide
5814	506	0	0	False	2-(4-hydroxybiphenyl-3-yl)-4-methyl-1h-isoindole-1_3(2h)-dione
8417	506	0	0	False	tacedinaline
8822	506	0	0	True	boscalid
9401	506	0	0	False	bamipine
9919	506	0	0	False	phytosphingosine
11078	506	0	0	False	glycogen
12604	506	0	0	False	phenylacetone
1232	507	0	0	True	oxybenzone
1446	507	0	0	False	1-(5-phospho-d-ribosyl)-atp
1695	507	0	0	False	3-{[(1r)-1-benzyl-2-sulfanylethyl]amino}-3-oxopropanoic_acid
1748	507	0	0	False	methyl_n-{[(1r)-1-({1-[(benzyloxy)carbonyl]-l-prolyl-6-ammonio-l-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl}-l-alanyl-l-prolinate
3036	507	0	0	False	9-aminophenanthrene
3067	507	0	0	False	n2-[(benzyloxy)carbonyl]-n-[(3r)-1-{n-[(benzyloxy)carbonyl]-l-leucyl}-4-oxo-3-pyrrolidinyl]-l-leucinamide
3140	507	0	0	False	(4s)-5-[[(2s)-1-[[(2s)-1-amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-4-benzamido-5-oxopentanoic_acid
3243	507	0	0	False	capric_acid
3383	507	0	0	False	2'deoxy-thymidine-5'-diphospho-alpha-d-glucose
3645	507	0	0	False	phenylalanine_amide
5502	507	0	0	False	2-{[(4-chlorophenoxy)acetyl]amino}benzoic_acid
5596	507	0	0	False	n~3~-benzylpyridine-2_3-diamine
5628	507	0	0	False	5-methyl-2-[(phenylsulfonyl)amino]benzoic_acid
6200	507	0	0	False	homophenylalaninylmethane
7076	507	0	0	False	spaglumic_acid
9808	507	0	0	True	isopropyl_myristate
10614	507	0	0	False	agg-523
11592	507	0	0	False	carbamazepine_iminoquinone
11690	507	0	0	False	diphenylmethoxyacetic_acid
2353	508	4	3	True	terlipressin
5603	508	0	0	False	n-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
7385	508	2	1	True	tolfenamic_acid
7428	508	4	0	True	phenylacetic_acid
9411	508	0	0	True	bendazac
11894	508	0	0	False	phenylacetic_acid
593	509	18	25	True	flurbiprofen
2861	509	0	0	False	adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate]
2881	509	0	0	False	2-(biphenyl-4-sulfonyl)-1_2_3_4-tetrahydro-isoquinoline-3-carboxylic_acid
3107	509	0	0	False	uridylyl-2'-5'-phospho-adenosine
4572	509	0	0	False	tarenflurbil
4908	509	0	0	False	talnetant
5173	509	0	0	False	n-(pyridin-3-ylmethyl)aniline
5479	509	0	0	False	5-phenyl-1h-indazol-3-amine
5500	509	0	0	False	n-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide
6152	509	0	0	False	2-chloro-5-nitro-n-phenylbenzamide
6323	509	0	0	False	n-[(2r)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-l-alanine
7011	509	0	0	False	(2s)-2-(4-chlorophenoxy)-3-phenylpropanoic_acid
7672	509	0	0	True	aluminium_tristearate
8424	509	0	0	True	p-nitrobiphenyl
9889	509	0	0	False	magnesium_stearate
9910	509	10	0	True	linoleic_acid
10134	509	0	0	False	oleoyl_chloride
11558	509	0	0	False	bortezomib_metabolite_m4
387	510	4	6	True	phenindione
457	510	7	3	True	fenoprofen
2004	510	3	2	True	flufenamic_acid
2642	510	0	0	False	2-thiomethyl-3-phenylpropanoic_acid
2704	510	0	0	True	lauric_acid
3223	510	0	0	False	alpha-benzyl-aminobenzyl-phosphonic_acid
3602	510	0	0	False	morpholine-4-carboxylic_acid_[1-(2-benzylsulfanyl-1-formyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide
3704	510	0	0	False	apstatin
3709	510	0	0	False	uridine-5'-diphosphate-4-deoxy-4-fluoro-alpha-d-galactose
4187	510	0	0	False	(e)-(4s_6s)-6-((s)-2-{(s)-2-[(furan-2-carbonyl)-amino]-3-methyl-butyrylamino}-3-methyl-butyrylamino)-8-methyl-5-oxo-4-((r)-2-oxo-pyrrolidin-3-ylmethyl)-non-2-enoic_acid_ethyl_ester
6286	510	0	0	False	isothiazolidinone_analog
6720	510	0	0	False	n-(5-methyl-1h-pyrazol-3-yl)-2-phenylquinazolin-4-amine
8321	510	0	2	False	tricaprylin
9925	510	0	0	False	sacubitrilat
11869	510	0	0	False	sacubitrilat_(lbq657)
12146	510	0	0	False	4-hydroxy-1-methyl-2-oxo-n-phenyl-1_2-dihydroquinoline-3-carboxamide
1652	511	0	0	False	n-(sulfanylacetyl)tyrosylprolylmethioninamide
1736	511	0	0	False	6-(n-phenylcarbamyl)-2-naphthalenecarboxamidine
2679	511	0	0	False	c16-fatty-acyl-substrate-mimic
2700	511	0	0	False	phenylalanine-n-sulfonamide
3083	511	0	0	False	2-phenethyl-2_3-dihydro-phthalazine-1_4-dione
3101	511	0	0	False	2-benzyl-3-iodopropanoic_acid
5238	511	0	0	False	d-phenylalanyl-n-(3-chlorobenzyl)-l-prolinamide
5345	511	0	0	False	d-phenylalanyl-n-(3-fluorobenzyl)-l-prolinamide
6376	511	0	0	False	3-(1-naphthylmethoxy)pyridin-2-amine
9155	511	0	0	False	fentiazac
864	512	2	28	True	oxaprozin
1495	512	0	0	False	udp-alpha-d-xylose
1780	512	1	0	False	3-phenylpropionic_acid
2055	512	0	0	False	5_6-dihydroxy-nadp
2615	512	0	0	False	biphenyl-2_3-diol
2665	512	0	0	False	uridine-5'-diphosphate-2-deoxy-2-fluorogalactose
3145	512	0	0	False	uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-d-galactose
3365	512	0	0	False	etheno-nadp
5245	512	0	0	False	(9z_11e_13s)-13-hydroxyoctadeca-9_11-dienoic_acid
5617	512	0	0	False	(9s_10e_12z)-9-hydroxyoctadeca-10_12-dienoic_acid
6394	512	0	0	False	4-[(6-phenyl[1_2_4]triazolo[4_3-b]pyridazin-3-yl)methyl]phenol
8675	512	12	0	False	ebselen
9128	512	0	0	False	glyceryl_1-oleate
11079	512	0	0	False	hydrocinnamic_acid
2950	513	0	0	False	dodecyl-alpha-d-maltoside
2980	513	0	17	True	glutathione_disulfide
3414	513	0	0	False	elaidoylamide
4218	513	0	0	False	boc-gamma-d-glu-l-lys(cbz)-d-boroala
5974	513	0	0	False	deamino-methyl-phenylalanine
6332	513	0	0	False	7_8-dihydroxy-4-phenyl-2h-chromen-2-one
7189	513	0	0	True	fenbufen
7905	513	1	0	False	triheptanoin
9465	513	0	0	False	clobenzorex
17	514	0	3	True	phenylalanine
2278	514	0	0	False	d-phenylalanine
4266	514	0	0	False	trans-4-(guanidinomethyl)-cyclohexane-l-yl-d-3-cyclohexylalanyl-l-azetidine-2-yl-d-tyrosinyl-l-homoargininamide
6615	514	0	0	False	s-palmitoyl-l-cysteine
2269	515	0	0	False	guanosine-5'-diphosphate-rhamnose
3425	515	1	0	True	palmitic_acid
4159	515	0	0	False	5-carbamoyl-1_1':4'_1''-terphenyl-3-carboxylic_acid
4206	515	0	0	False	n-benzyloxycarbonyl-l-serine-betalactone
5813	515	0	0	False	l-benzylsuccinic_acid
5879	515	0	0	False	2_4-diamino-1_5-diphenyl-3-hydroxypentane
1437	516	0	0	False	7-methyl-gpppa
1632	516	0	0	False	uridine_diphosphate_glucose
2151	516	0	0	False	uridine-5'-diphosphate-mannose
3156	516	0	0	False	galactose-uridine-5'-diphosphate
5249	516	0	0	False	n-[amino(imino)methyl]-2-(2_5-diphenyl-1h-pyrrol-1-yl)acetamide
5785	516	0	0	False	1_1'-biphenyl-3_4-diol
5953	516	0	0	False	n-acetyl-l-phenylalanyl-4-[difluoro(phosphono)methyl]-l-phenylalaninamide
6187	516	0	0	False	(2s)_n-acetyl-l-alanyl-αl-phenylalanyl-chloroethylketone
6883	516	1	0	False	thiorphan
1802	517	0	0	False	2-(1_1'-biphenyl-4-yl)propanoic_acid
3086	517	0	0	False	ubenimex
5723	517	0	0	False	1-biphenyl-2-ylmethanamine
6346	517	0	0	False	1-benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2_5-dione
6746	517	0	0	False	[[1-[n-hydroxy-acetamidyl]-3-methyl-butyl]-carbonyl-leucinyl]-alanine_ethyl_ester
9047	517	0	0	False	rotigaptide
9859	517	0	0	False	palmidrol
9886	517	0	0	False	gondoic_acid
9950	517	0	0	True	benzylparaben
3279	518	0	0	False	cytidyl-2'-5'-phospho-guanosine
4170	518	0	0	False	(e)-(4s_6s)-8-methyl-6-((s)-3-methyl-2-{(s)-2-[(5-methyl-isoxazole-3-carbonyl)-amino]-propionylamino}-butyrylamino)-5-oxo-4-((r)-2-oxo-pyrrolidin-3-ylmethyl)-non-2-enoic_acid_benzyl_ester
4314	518	0	0	False	(10e_12z)-octadecadienoic_acid
6131	518	0	0	False	(2s)-2-(4-ethylphenoxy)-3-phenylpropanoic_acid
6324	518	0	0	False	3-benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyric_acid
7921	518	4	20	False	racecadotril
5422	519	0	0	False	4-amino-n-[4-(benzyloxy)phenyl]butanamide
6116	520	0	0	False	2-[4-chloro-2-(phenylcarbonyl)phenoxy]-n-phenylacetamide
6321	520	0	0	False	l-alanyl-n-[(1s_2r)-1-benzyl-2-hydroxypropyl]-l-alaninamide
8285	520	3	0	False	tideglusib
9496	520	0	0	False	oxycinchophen
63	521	7	3	False	aspartame
1781	521	0	0	False	l-d-(a-aminoadipoyl)-l-cysteinyl-d-valine
1813	521	0	0	False	adenosine-5-diphosphoribose
2175	521	0	0	False	n-tridecanoic_acid
3245	521	0	0	False	s-benzylglutathione
3553	521	0	0	False	diguanosine-5'-triphosphate
7491	521	0	0	True	sulfabenzamide
7560	521	0	12	True	phenyl_salicylate
8182	521	0	0	False	isoflavone
2367	522	0	0	False	l-[(n-hydroxyamino)carbonyl]phenylalanine
2397	522	0	0	False	undecyl-beta-d-maltopyranoside
2452	522	0	0	False	diamino-n-[(4s)-5-anilino-4-{[(2s)-2-{[(1r)-1-carboxyethyl]amino}-4-phenylbutanoyl]amino}-5-oxopentyl]methaniminium
3137	522	0	0	False	brequinar_analog
3304	522	0	0	False	up5
3914	522	0	0	False	d-[(n-hydroxyamino)carbonyl]phenylalanine
742	523	0	3	True	benzphetamine
2459	523	0	0	False	1-3_sugar_ring_of_pentamannosyl_6-phosphate
3232	523	0	0	False	diphenylacetic_acid
5803	523	0	0	False	1_3-diphenylurea
6641	523	0	0	False	1-(biphenyl-4-ylmethyl)-1h-imidazole
11669	523	0	0	False	1-naphthoic_acid
1566	524	0	0	False	adenylyl-(3'-5')-uridine_3'-monophosphate
3503	524	1	0	False	batimastat
3829	524	1	0	True	oleic_acid
4368	524	0	0	False	cis-vaccenic_acid
5034	524	1	0	True	ethanolamine_oleate
9437	524	0	0	False	nicofetamide
1527	525	0	0	False	n-benzyl-4-sulfamoyl-benzamide
1587	525	0	0	False	2-tridecanoyloxy-pentadecanoic_acid
1647	525	0	0	False	benzophenone
3219	525	0	0	False	wrr-99
3326	525	0	0	False	wrr-112
5206	525	0	0	False	n-benzyloxycarbonyl-ala-pro-3-amino-4-phenyl-butan-2-ol
5461	525	0	0	False	d-phenylalanyl-n-benzyl-l-prolinamide
6541	525	0	0	False	n-(carboxycarbonyl)-d-phenylalanine
11684	525	0	0	False	benzophenone
2470	526	0	0	False	3-hydroxy-myristic_acid
2644	526	0	0	False	ricinoleic_acid
5417	527	0	0	False	n-[4-(benzyloxy)phenyl]glycinamide
5767	527	0	0	False	4-phenoxy-n-(pyridin-2-ylmethyl)benzamide
9846	527	0	0	True	benzoin
2867	528	0	0	True	stearic_acid
3858	528	0	0	False	palmitoleic_acid
6471	528	0	0	False	4-(5-phenyl-1h-pyrrolo[2_3-b]pyridin-3-yl)benzoic_acid
8319	528	0	0	False	diphencyprone
1880	529	0	0	False	[1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic_acid_pyridin-4-ylmethyl_ester
3655	529	0	0	False	3-oxo-pentadecanoic_acid
484	530	2	0	True	monobenzone
6983	530	0	0	False	nalpha-[(benzyloxy)carbonyl]-n-[(1r)-4-hydroxy-1-methyl-2-oxobutyl]-l-phenylalaninamide
9295	530	0	0	False	difenpiramide
1640	531	0	0	False	[1-(1-benzyl-3-hydroxy-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic_acid_benzyl_ester
1888	531	0	0	False	cephalosporin_analog
3100	531	0	0	False	n-hexadecanoylglycine
4210	531	0	0	False	biphenylalanine
407	532	0	0	False	bentiromide
5073	532	3	0	False	beta-naphthoflavone
6069	532	0	0	True	flavone
6961	532	0	0	False	2_3-diphenyl-1h-indole-7-carboxylic_acid
2166	533	0	0	False	{4-[(2s)-2-({[(1s)-1-carboxy-2-phenylethyl]carbamoyl}amino)-3-oxo-3-(pentylamino)propyl]phenoxy}malonic_acid
1550	534	0	0	False	adenosine-5'-monophosphate_glucopyranosyl-monophosphate_ester
1474	535	0	0	False	bis(adenosine)-5'-triphosphate
3514	535	0	0	False	dibenzyl_(carbonylbis{2_1-hydrazinediyl[(2s)-4-methyl-1-oxo-1_2-pentanediyl]})biscarbamate
7024	535	0	0	False	benzoyl-tyrosine-alanine-fluoro-methyl_ketone
1499	536	0	0	False	bis(adenosine)-5'-pentaphosphate
6643	536	0	0	False	para-(benzoyl)-phenylalanine
2298	537	0	0	False	n-[(6s)-6-carboxy-6-(glycylamino)hexanoyl]-d-alanyl-d-alanine
5761	537	0	0	False	2-phenyl-4h-benzo[h]chromen-4-one
6403	537	0	0	False	(2s)-2-(biphenyl-4-yloxy)-3-phenylpropanoic_acid
8706	537	0	0	False	nona-arginine
2316	538	0	0	False	[2(r_s)-2-sulfanylheptanoyl]-phe-ala
5875	538	0	0	False	n~2~-[(benzyloxy)carbonyl]-n-[(1s_2s)-2-hydroxy-1-(4-hydroxybenzyl)propyl]-l-leucinamide
6401	538	0	0	False	1_1_1-trifluoro-3-((n-acetyl)-l-leucylamido)-4-phenyl-butan-2-one(n-acetyl-l-leucyl-l-phenylalanyl_trifluoromethyl_ketone)
6769	538	0	0	False	n-{(2s)-3-[(1r)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-l-phenylalanine
9933	538	0	0	False	palmitoyl_tetrapeptide-7
559	539	1	1	True	benzyl_benzoate
1743	539	0	0	False	(4s)-5-[[(1s)-1-carboxy-2-cyclohexylethyl]amino]-4-[[(2s)-2-[[(3r)-4-cyclohexyl-2-oxo-3-(phenylmethoxycarbonylamino)butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic_acid
6673	540	0	0	False	methylamino-phenylalanyl-leucyl-hydroxamic_acid
9456	540	0	0	False	cinchophen
1583	541	0	0	False	[1-(1-methyl-4_5-dioxo-pent-2-enylcarbamoyl)-2-phenyl-ethyl]-carbamic_acid_benzyl_ester
6510	542	0	0	False	myristic_acid
1659	544	0	0	False	tl-3-093
3673	544	0	0	False	d-[(amino)carbonyl]phenylalanine
5784	544	0	0	False	felbinac
4802	545	10	12	True	icatibant
4964	550	1	0	False	labradimil
4512	551	0	0	False	ularitide
5863	551	0	0	False	acetylleucyl-leucyl-norleucinal
10275	551	0	0	False	risuteganib
6044	553	0	0	False	2-acetylamino-4-methyl-pentanoic_acid_(1-formyl-2-phenyl-ethyl)-amide
6039	556	0	0	False	z-val-ala-asp_fluoromethyl_ketone
2280	562	0	0	False	n-(3-phenyl-2-sulfanylpropanoyl)phenylalanylalanine
3949	562	0	0	False	tert-butyl_n-[(2s_5r)-6-[[(2s)-5-amino-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1_5-dioxopentan-2-yl]amino]-5-benzyl-3_6-dioxo-1-phenylhexan-2-yl]carbamate
8788	562	0	0	False	ltx-315
8478	563	0	0	False	ipamorelin
3570	564	0	0	False	n-[(2s)-3-phenyl-2-sulfanylpropanoyl]-l-phenylalanyl-l-tyrosine
8875	565	0	0	True	etelcalcetide
8160	569	1	0	False	elamipretide
1467	573	0	0	False	chymostatin
3797	573	0	0	False	skf_107457
7802	573	0	0	True	deslorelin
4543	575	0	0	False	cr665
4992	576	0	0	False	omiganan
2043	577	0	0	False	n-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine
4224	577	0	0	False	n-[(benzyloxy)carbonyl]-l-leucyl-n-[(1s)-3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]-l-leucinamide
5043	577	0	36	True	degarelix
4606	578	0	0	False	talactoferrin_alpha
10484	581	0	0	False	antipain
3	582	0	0	True	gramicidin_d
5148	584	4	29	True	triptorelin
7114	584	4	29	True	carfilzomib
78	586	1	0	True	pentagastrin
8723	593	0	0	False	metenkefalin
1	594	11	237	True	leuprolide
8097	596	1	0	False	acyline
8074	597	0	0	False	dusquetide
8655	597	0	0	False	ozarelix
5116	598	0	25	True	ganirelix
7932	598	0	0	False	acetyl_hexapeptide-3
2	600	5	103	True	goserelin
7100	601	0	41	True	tesamorelin
10425	601	0	0	False	albuvirtide
12475	601	0	0	False	large_fragment_metabolite_(atosiban)
8123	603	0	0	False	difelikefalin
8282	603	0	0	False	bradykinin
4598	605	0	0	False	tifuvirtide
8077	609	0	0	False	bpc-157
8156	609	0	0	False	tak-448
12332	611	0	0	False	p3_semaglutide
528	612	1	7	True	gonadorelin
10467	612	0	0	False	brimapitide
550	613	0	4	True	nafarelin
8042	615	0	0	False	pz-128
4663	616	0	0	False	teverelix
5	618	1	17	True	cetrorelix
10	619	0	4	True	abarelix
7944	619	0	0	False	bombesin
10202	619	0	0	False	nerofe
293	621	5	0	True	ceruletide
10495	621	0	0	False	edratide
7317	622	2	3	True	sincalide
9019	622	0	0	False	foxy-5
10538	623	0	0	False	ec-0652
12474	624	0	0	False	reduced_metabolite_(atosiban)
7092	625	4	0	False	dadle
4609	626	2	0	False	abt-510
9778	627	0	0	True	semaglutide
7941	629	5	0	False	angiotensin_1-7
8342	629	0	0	False	trv-120027
0	630	12	99	True	bivalirudin
4670	631	0	0	False	larazotide
8995	634	0	0	False	cibinetide
7257	637	0	0	True	corticorelin_ovine_triflutate
4719	638	1	0	False	sar9__met_(o2)11-substance_p
4475	640	0	0	True	afamelanotide
8678	640	0	0	False	davunetide
1135	641	0	18	True	pramlintide
10556	641	0	0	False	sor-c13
4709	642	0	0	False	ppi-1019
10520	642	0	0	False	modimelanotide
1139	643	1	5	True	tetracosactide
4626	645	0	0	False	czen_002
8693	646	0	0	False	aclerastide
5098	652	5	0	False	saralasin
9426	654	0	0	False	angiotensinamide
10441	660	0	0	False	cotadutide
12456	663	0	0	False	angiotensin_iii
8173	666	1	0	False	thymopentin
10259	670	0	0	False	bio-11006
8044	671	0	0	True	angiotensin_ii
9849	681	0	0	False	taspoglutide
10215	684	0	0	False	avexitide
4843	688	1	0	False	aviptadil