smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000126879173	494854499	/nfs/dbraw/zinc/85/44/99/494854499.db2.gz	BOYJPAYJDCQKKQ-UHFFFAOYSA-N	-1	2	356.787	3.013	40	0		FGABLM
C[C@]12CC[C@@H]3c4ccc(O[P@@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000006500104	204250783	/nfs/dbraw/zinc/25/07/83/204250783.db2.gz	HRGSZQQJTWZVHP-FPSMNIFISA-N	-1	2	352.367	3.375	40	0		FGABLM
C[C@]12CC[C@@H]3c4ccc(O[P@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000006500104	204250784	/nfs/dbraw/zinc/25/07/84/204250784.db2.gz	HRGSZQQJTWZVHP-FPSMNIFISA-N	-1	2	352.367	3.375	40	0		FGABLM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1	ZINC000223368324	571278063	/nfs/dbraw/zinc/27/80/63/571278063.db2.gz	QZWDTNWPNWQGNO-UHFFFAOYSA-N	-1	2	363.288	3.344	40	0		FGABLM
O=C([O-])c1ccc(-c2ccc([C@H]3[NH2+][C@@H](C(=O)[O-])CS3)o2)cc1Cl	ZINC000408817496	263498718	/nfs/dbraw/zinc/49/87/18/263498718.db2.gz	NJRPNPNNGAOWMB-MFKMUULPSA-N	-1	2	353.783	3.086	40	0		FGABLM
CCc1cccc(CC)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000223369899	209191221	/nfs/dbraw/zinc/19/12/21/209191221.db2.gz	IFSJXUMYGNQPKA-UHFFFAOYSA-N	-1	2	351.399	3.450	40	0		FGABLM
O=C([O-])c1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1	ZINC000004913966	493900198	/nfs/dbraw/zinc/90/01/98/493900198.db2.gz	CTYGSJVJYRQCGJ-UHFFFAOYSA-N	-1	2	368.823	3.449	40	0		FGABLM
Cc1nc(Nc2nccnc2C2CC[NH+](Cc3ncc[nH]3)CC2)sc1C	ZINC000257273546	497397722	/nfs/dbraw/zinc/39/77/22/497397722.db2.gz	NHCASGUXPSDLFX-UHFFFAOYSA-N	-1	2	369.498	3.396	40	0		FGABLM
CC(C)(C)OC(=O)N[C@H](Cc1cc(Cl)c(O)c(Cl)c1)C(=O)[O-]	ZINC000015442637	494354248	/nfs/dbraw/zinc/35/42/48/494354248.db2.gz	GRNLRGVZPAASPS-SNVBAGLBSA-N	-1	2	350.198	3.219	40	0		FGABLM
O=C([O-])c1ccc(-c2ccc([C@H]3[NH2+][C@H](C(=O)[O-])CS3)o2)cc1Cl	ZINC000408817477	499595099	/nfs/dbraw/zinc/59/50/99/499595099.db2.gz	NJRPNPNNGAOWMB-GWCFXTLKSA-N	-1	2	353.783	3.086	40	0		FGABLM
CC(=O)n1cc(O[P@@](=O)([O-])O)c2c1ccc(Br)c2Cl	ZINC000521813226	571231511	/nfs/dbraw/zinc/23/15/11/571231511.db2.gz	VAGQPRIJZYKEBM-UHFFFAOYSA-N	-1	2	368.507	3.189	40	0		FGABLM
CC(=O)n1cc(O[P@](=O)([O-])O)c2c1ccc(Br)c2Cl	ZINC000521813226	571231513	/nfs/dbraw/zinc/23/15/13/571231513.db2.gz	VAGQPRIJZYKEBM-UHFFFAOYSA-N	-1	2	368.507	3.189	40	0		FGABLM
CCc1nnc(C2=C(O)C(=Cc3ccc(C(=O)[O-])cc3)SC2=N)s1	ZINC000137526195	495444596	/nfs/dbraw/zinc/44/45/96/495444596.db2.gz	JXTGYPSRJGUBAX-LNYDFZRASA-N	-1	2	359.432	3.217	40	0		FGABLM
Cc1csc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1	ZINC000257301808	497401415	/nfs/dbraw/zinc/40/14/15/497401415.db2.gz	RZZDUPZLVLOIKY-ZDUSSCGKSA-N	-1	2	355.471	3.088	40	0		FGABLM
C[C@@]12CC[C@H]3c4ccc(O[P@@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000006491342	204250655	/nfs/dbraw/zinc/25/06/55/204250655.db2.gz	HRGSZQQJTWZVHP-KFGODFMUSA-N	-1	2	352.367	3.375	40	0		FGABLM
C[C@@]12CC[C@H]3c4ccc(O[P@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000006491342	204250661	/nfs/dbraw/zinc/25/06/61/204250661.db2.gz	HRGSZQQJTWZVHP-KFGODFMUSA-N	-1	2	352.367	3.375	40	0		FGABLM
O=S(=O)(Nc1nnc2ccc3ccccc3n21)c1ccc(F)cc1[S-]	ZINC000001650669	204016195	/nfs/dbraw/zinc/01/61/95/204016195.db2.gz	BJUBOMKXABYKLG-UHFFFAOYSA-N	-1	2	374.422	3.111	40	0		FGABLM
O=C([O-])c1ccc(-c2ccc([C@@H]3[NH2+][C@H](C(=O)[O-])CS3)o2)cc1Cl	ZINC000408817492	499595110	/nfs/dbraw/zinc/59/51/10/499595110.db2.gz	NJRPNPNNGAOWMB-GXFFZTMASA-N	-1	2	353.783	3.086	40	0		FGABLM
C[C@@]12CC[C@@H]3c4ccc(O[P@@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000006491315	207142920	/nfs/dbraw/zinc/14/29/20/207142920.db2.gz	HRGSZQQJTWZVHP-RSJGLCBASA-N	-1	2	352.367	3.375	40	0		FGABLM
C[C@@]12CC[C@@H]3c4ccc(O[P@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000006491315	207142922	/nfs/dbraw/zinc/14/29/22/207142922.db2.gz	HRGSZQQJTWZVHP-RSJGLCBASA-N	-1	2	352.367	3.375	40	0		FGABLM
C[C@]12CC[C@H]3c4ccc(O[P@@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000006519455	207143807	/nfs/dbraw/zinc/14/38/07/207143807.db2.gz	HRGSZQQJTWZVHP-ATIWLJMLSA-N	-1	2	352.367	3.375	40	0		FGABLM
C[C@]12CC[C@H]3c4ccc(O[P@](=O)([O-])O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000006519455	207143812	/nfs/dbraw/zinc/14/38/12/207143812.db2.gz	HRGSZQQJTWZVHP-ATIWLJMLSA-N	-1	2	352.367	3.375	40	0		FGABLM
Cc1nc(NS(=O)(=O)c2cc(Cl)ccc2Cl)sc1C(=O)[O-]	ZINC000020156602	570911555	/nfs/dbraw/zinc/91/15/55/570911555.db2.gz	MNHCVMKYNKJDBZ-UHFFFAOYSA-N	-1	2	367.235	3.257	40	0		FGABLM
COc1ccc(C(C)C)cc1S(=O)(=O)Nc1nc(C)c(C(=O)[O-])s1	ZINC000020156608	571133494	/nfs/dbraw/zinc/13/34/94/571133494.db2.gz	SWXXSWYSPSPIHZ-UHFFFAOYSA-N	-1	2	370.452	3.083	40	0		FGABLM
O=C([O-])c1ccc(O)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1	ZINC000225324734	209363445	/nfs/dbraw/zinc/36/34/45/209363445.db2.gz	ACHSLGLDOYYZHX-UHFFFAOYSA-N	-1	2	362.190	3.198	40	0		FGABLM
O=C([O-])c1ccc(-c2ccc([C@@H]3[NH2+][C@@H](C(=O)[O-])CS3)o2)cc1Cl	ZINC000408817499	499595335	/nfs/dbraw/zinc/59/53/35/499595335.db2.gz	NJRPNPNNGAOWMB-ZWNOBZJWSA-N	-1	2	353.783	3.086	40	0		FGABLM
CC(C)(C)OC(=O)N[C@@H](Cc1cc(Cl)c(O)c(Cl)c1)C(=O)[O-]	ZINC000032098768	493975365	/nfs/dbraw/zinc/97/53/65/493975365.db2.gz	GRNLRGVZPAASPS-JTQLQIEISA-N	-1	2	350.198	3.219	40	0		FGABLM
CCOc1ccc(C[N@@H+]2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1	ZINC000019533385	220268614	/nfs/dbraw/zinc/26/86/14/220268614.db2.gz	MNMCRZDRCDMOGH-UHFFFAOYSA-N	-1	2	362.433	3.201	40	0		FGABLM