smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc2nc(-c3ccc([O-])c(Br)c3)[n-]c(=O)c2c1C	ZINC000408735852	570685635	/nfs/dbraw/zinc/68/56/35/570685635.db2.gz	YNSYTVGAAIJWNU-UHFFFAOYSA-N	-2	3	351.225	4.149	40	0		FIABHL
CCc1nc(SC(=Cc2ccc(Sc3ccccc3)o2)C(=O)[O-])n[n-]1	ZINC000007342502	571298674	/nfs/dbraw/zinc/29/86/74/571298674.db2.gz	RQUULZRNVRBOHP-RAXLEYEMSA-N	-2	3	373.459	4.329	40	0		FIABHL
CCCc1nc(SC(=Cc2ccc(OCC)c(Cl)c2)C(=O)[O-])n[n-]1	ZINC000007342298	571298639	/nfs/dbraw/zinc/29/86/39/571298639.db2.gz	UPUGGSBPGCNLOA-LCYFTJDESA-N	-2	3	367.858	4.027	40	0		FIABHL
CCCc1nc(SC(=Cc2ccc(OCC(C)C)cc2)C(=O)[O-])n[n-]1	ZINC000007342366	570587168	/nfs/dbraw/zinc/58/71/68/570587168.db2.gz	ZVVFNAKBWFWDOA-XNTDXEJSSA-N	-2	3	361.467	4.010	40	0		FIABHL
CCc1nc(SC(=Cc2cn(C(C)C)c3ccccc23)C(=O)[O-])n[n-]1	ZINC000007342571	570587328	/nfs/dbraw/zinc/58/73/28/570587328.db2.gz	ZUCLGEINHGCNCT-DHDCSXOGSA-N	-2	3	356.451	4.121	40	0		FIABHL
C/C=C(/C)c1c2c(c(C)c(O)c1C(=O)[O-])OC(=O)c1c(C)cc([O-])cc1O2	ZINC000225449421	560043583	/nfs/dbraw/zinc/04/35/83/560043583.db2.gz	DFNFONZYWQXTIJ-YVMONPNESA-N	-2	3	370.357	4.161	40	0	biogenic,in-vitro	FIABHL
C=CCn1c(C)c(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])c2ccccc21	ZINC000007342509	571298672	/nfs/dbraw/zinc/29/86/72/571298672.db2.gz	UYWYPLQJJMHZJG-WJDWOHSUSA-N	-2	3	368.462	4.034	40	0		FIABHL
CCc1nc(SC(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)[O-])n[n-]1	ZINC000007342526	571298643	/nfs/dbraw/zinc/29/86/43/571298643.db2.gz	RGBGKPPFINTMLE-UVTDQMKNSA-N	-2	3	374.853	4.029	40	0		FIABHL
CCc1nc(SC(=Cc2cc(Cl)ccc2OC(C)C)C(=O)[O-])n[n-]1	ZINC000213408694	571307639	/nfs/dbraw/zinc/30/76/39/571307639.db2.gz	LODKCECKEJFVTI-MDWZMJQESA-N	-2	3	367.858	4.026	40	0		FIABHL
CCc1nc(SC(=Cc2cc(C(C)C)c(OC)cc2C)C(=O)[O-])n[n-]1	ZINC000007342598	571298588	/nfs/dbraw/zinc/29/85/88/571298588.db2.gz	TXDNJAQKHSCHRG-DHDCSXOGSA-N	-2	3	361.467	4.025	40	0		FIABHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cc1C(=O)[O-]	ZINC000058707513	571171221	/nfs/dbraw/zinc/17/12/21/571171221.db2.gz	LSUOTBVWCSLEGA-UHFFFAOYSA-N	-2	3	367.426	4.161	40	0		FIABHL
COc1c(CC=C(C)C)c(O)cc([O-])c1-c1coc2cc([O-])ccc2c1=O	ZINC000014762985	291081026	/nfs/dbraw/zinc/08/10/26/291081026.db2.gz	SSDIPYMSXRNGMZ-UHFFFAOYSA-N	-2	3	368.385	4.094	40	0	endogenous,in-man	FIABHL
CCOc1ccc(Br)cc1C([O-])=CC(=O)c1ccccc1[O-]	ZINC000113704313	222500418	/nfs/dbraw/zinc/50/04/18/222500418.db2.gz	NWDTUFZEKIOCFY-UHFFFAOYSA-N	-2	3	363.207	4.009	40	0		FIABHL
CCOc1ccc(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])c2ccccc12	ZINC000213402715	571307633	/nfs/dbraw/zinc/30/76/33/571307633.db2.gz	SRCUZVMFEZNPBB-WJDWOHSUSA-N	-2	3	369.446	4.137	40	0		FIABHL
CCCc1nc(SC(=Cc2ccc(Cl)cc2Cl)C(=O)[O-])n[n-]1	ZINC000007342277	571298611	/nfs/dbraw/zinc/29/86/11/571298611.db2.gz	ITFAWFMAMIAUCH-WDZFZDKYSA-N	-2	3	358.250	4.282	40	0		FIABHL
CCCc1nc(SC(=Cc2c(OC)ccc3ccccc32)C(=O)[O-])n[n-]1	ZINC000007342255	571298686	/nfs/dbraw/zinc/29/86/86/571298686.db2.gz	JJJFWINJPYDDPN-WJDWOHSUSA-N	-2	3	369.446	4.137	40	0		FIABHL
Cc1oc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2c1C(=O)[O-]	ZINC000011615815	210102795	/nfs/dbraw/zinc/10/27/95/210102795.db2.gz	JRKFGLQGCXJIMT-UHFFFAOYSA-N	-2	3	373.430	4.165	40	0		FIABHL
N=c1[n-]nc(/C(=C/c2cc(Br)ccc2[O-])c2ccccc2)s1	ZINC000408718251	570672538	/nfs/dbraw/zinc/67/25/38/570672538.db2.gz	POVRKBMDSKWSJK-UKTHLTGXSA-N	-2	3	374.263	4.008	40	0		FIABHL
CCCc1nc(SC(=Cc2cccc(Cl)c2Cl)C(=O)[O-])n[n-]1	ZINC000007342354	571298607	/nfs/dbraw/zinc/29/86/07/571298607.db2.gz	BVEQPAUMKOJQBO-YFHOEESVSA-N	-2	3	358.250	4.282	40	0		FIABHL
C=CCn1cc(C=C(Sc2n[n-]c(CCC)n2)C(=O)[O-])c2ccccc21	ZINC000007342268	571298691	/nfs/dbraw/zinc/29/86/91/571298691.db2.gz	FVXDBIRHJOUYMG-WJDWOHSUSA-N	-2	3	368.462	4.116	40	0		FIABHL
COc1c2cc(-c3ccc([O-])cc3O)c(=O)oc2cc([O-])c1CC=C(C)C	ZINC000015262009	220150629	/nfs/dbraw/zinc/15/06/29/220150629.db2.gz	NZYSZZDSYIBYLC-UHFFFAOYSA-N	-2	3	368.385	4.094	40	0	endogenous,in-man	FIABHL
COc1c2cc(-c3ccc(O)cc3[O-])c(=O)oc2cc([O-])c1CC=C(C)C	ZINC000015262009	220150631	/nfs/dbraw/zinc/15/06/31/220150631.db2.gz	NZYSZZDSYIBYLC-UHFFFAOYSA-N	-2	3	368.385	4.094	40	0	endogenous,in-man	FIABHL
COc1cc([O-])c(CC=C(C)C)c2oc(-c3ccc([O-])cc3)c(O)c(=O)c12	ZINC000004199939	560122374	/nfs/dbraw/zinc/12/23/74/560122374.db2.gz	VMLJAWUWVVHRNG-UHFFFAOYSA-N	-2	3	368.385	4.094	40	0	biogenic,in-vivo	FIABHL
O=C1C[C@@H](c2ccccc2)Oc2c(Cc3ccccc3[O-])c([O-])cc(O)c21	ZINC000013327541	291082732	/nfs/dbraw/zinc/08/27/32/291082732.db2.gz	SDGMASFMCKFHSI-FQEVSTJZSA-N	-2	3	362.381	4.101	40	0	biogenic,in-vitro	FIABHL
COc1c(O)cc(-c2coc3cc([O-])cc([O-])c3c2=O)cc1CC=C(C)C	ZINC000014762997	220132791	/nfs/dbraw/zinc/13/27/91/220132791.db2.gz	ONLZHAOKMQJPIC-UHFFFAOYSA-N	-2	3	368.385	4.094	40	0	biogenic,in-vitro	FIABHL
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([O-])c(Cc2ccccc2)c1	ZINC000257221974	223026474	/nfs/dbraw/zinc/02/64/74/223026474.db2.gz	DRIWOKDPPNTFDO-UHFFFAOYSA-N	-2	3	361.397	4.242	40	0		FIABHL
CCCc1nc(SC(=Cc2cc(Cl)ccc2OCC)C(=O)[O-])n[n-]1	ZINC000007342326	571298654	/nfs/dbraw/zinc/29/86/54/571298654.db2.gz	JPFMEEJCLOKKKP-LCYFTJDESA-N	-2	3	367.858	4.027	40	0		FIABHL
Cc1oc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1C(=O)[O-]	ZINC000011615814	570484111	/nfs/dbraw/zinc/48/41/11/570484111.db2.gz	QXQCDHXUXJSBOD-UHFFFAOYSA-N	-2	3	373.430	4.165	40	0		FIABHL