smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nnc(SC(=Cc2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C(=O)[O-])[nH]1	ZINC000006199593	856376843	/nfs/dbraw/zinc/37/68/43/856376843.db2.gz	VVDGIYZRUGZRPP-NVNXTCNLSA-N	-2	1	385.401	3.598	40	0		GHABML
Cc1nc(SC(=Cc2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C(=O)[O-])n[nH]1	ZINC000006199593	856376851	/nfs/dbraw/zinc/37/68/51/856376851.db2.gz	VVDGIYZRUGZRPP-NVNXTCNLSA-N	-2	1	385.401	3.598	40	0		GHABML
Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1-c1ccc(C(=O)[O-])o1	ZINC000226352901	231036969	/nfs/dbraw/zinc/03/69/69/231036969.db2.gz	LFVSXBBJWMYAGR-UHFFFAOYSA-N	-2	1	375.377	3.893	40	0		GHABML
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-]	ZINC000047949109	570217358	/nfs/dbraw/zinc/21/73/58/570217358.db2.gz	FIWHIGVJTITVJD-UHFFFAOYSA-N	-2	1	376.217	3.501	40	0		GHABML
COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1-c1ccc(C(=O)[O-])o1	ZINC000226352809	570460394	/nfs/dbraw/zinc/46/03/94/570460394.db2.gz	NDRLBKOHLMTRIL-UHFFFAOYSA-N	-2	1	387.413	3.763	40	0		GHABML
COc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1-c1ccc(C(=O)[O-])o1	ZINC000226352828	570460360	/nfs/dbraw/zinc/46/03/60/570460360.db2.gz	QYKWRYGVSWCYTD-UHFFFAOYSA-N	-2	1	391.376	3.593	40	0		GHABML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1F	ZINC000013362465	570839955	/nfs/dbraw/zinc/83/99/55/570839955.db2.gz	WBGFOVCUJVPNRH-UHFFFAOYSA-N	-2	1	397.733	3.997	40	0		GHABML
O=C([O-])c1cc(NC(=O)c2cc(Cl)c3ccccc3c2O)cc(C(=O)[O-])c1	ZINC000016525370	221364769	/nfs/dbraw/zinc/36/47/69/221364769.db2.gz	HAYRTSZETZXFIJ-UHFFFAOYSA-N	-2	1	385.759	3.848	40	0		GHABML
Cc1nnc(SC(=Cc2ccc(-c3cccc(C(=O)[O-])c3C)o2)C(=O)[O-])[nH]1	ZINC000006130615	856376703	/nfs/dbraw/zinc/37/67/03/856376703.db2.gz	FMGNYKVPJLALKM-NVNXTCNLSA-N	-2	1	385.401	3.598	40	0		GHABML
Cc1nc(SC(=Cc2ccc(-c3cccc(C(=O)[O-])c3C)o2)C(=O)[O-])n[nH]1	ZINC000006130615	856376705	/nfs/dbraw/zinc/37/67/05/856376705.db2.gz	FMGNYKVPJLALKM-NVNXTCNLSA-N	-2	1	385.401	3.598	40	0		GHABML
Cc1ccc(-c2ccc(C(=O)[O-])o2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000226353571	534185520	/nfs/dbraw/zinc/18/55/20/534185520.db2.gz	WCKRZUDNOUUMET-UHFFFAOYSA-N	-2	1	375.377	3.893	40	0		GHABML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1Cl	ZINC000048567796	212057241	/nfs/dbraw/zinc/05/72/41/212057241.db2.gz	ZMVXGFAUOUBYCU-UHFFFAOYSA-N	-2	1	390.642	3.602	40	0		GHABML
O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccccc1[O-]	ZINC000408561395	534494867	/nfs/dbraw/zinc/49/48/67/534494867.db2.gz	IVAVHDBPZVVLSV-UHFFFAOYSA-N	-2	1	384.819	3.915	40	0		GHABML
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1	ZINC000223368490	570951253	/nfs/dbraw/zinc/95/12/53/570951253.db2.gz	QBEVHUZWHGSMAP-UHFFFAOYSA-N	-2	1	397.733	3.997	40	0		GHABML
O=C([O-])c1ccc(NCCc2ccccc2)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000217504873	222580094	/nfs/dbraw/zinc/58/00/94/222580094.db2.gz	CHTAYZIWDCSVCO-UHFFFAOYSA-N	-2	1	396.468	3.840	40	0		GHABML
Cc1nnc(SC(=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)[O-])[nH]1	ZINC000006611410	570747696	/nfs/dbraw/zinc/74/76/96/570747696.db2.gz	HISKVVIHIKXEEW-NVNXTCNLSA-N	-2	1	385.401	3.598	40	0		GHABML
Cc1nc(SC(=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)[O-])n[nH]1	ZINC000006611410	570747700	/nfs/dbraw/zinc/74/77/00/570747700.db2.gz	HISKVVIHIKXEEW-NVNXTCNLSA-N	-2	1	385.401	3.598	40	0		GHABML
O=C([O-])c1ccc(NCc2ccccc2)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000217504572	570317481	/nfs/dbraw/zinc/31/74/81/570317481.db2.gz	DMZBTFLLIOTMMZ-UHFFFAOYSA-N	-2	1	382.441	3.798	40	0		GHABML