smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1	ZINC000005144062	568440970	/nfs/dbraw/zinc/44/09/70/568440970.db2.gz	GIRNNZHTRKWVQL-QHAWAJNXSA-N	-2	1	414.417	3.436	40	0		HGABML
Cc1cc(C=C2NC(=S)[N-]C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000033938275	569351515	/nfs/dbraw/zinc/35/15/15/569351515.db2.gz	NZFRQASYFQAHGX-MDWZMJQESA-N	-2	1	401.513	3.489	40	0		HGABML
O=C([O-])c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000005501522	568446854	/nfs/dbraw/zinc/44/68/54/568446854.db2.gz	WDMCEWNAISSDKL-QHAWAJNXSA-N	-2	1	414.417	3.436	40	0		HGABML
CCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc21	ZINC000035448432	569037453	/nfs/dbraw/zinc/03/74/53/569037453.db2.gz	JRFOGWASDATOSI-UHFFFAOYSA-N	-2	1	403.412	3.417	40	0		HGABML
CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000013078471	558512516	/nfs/dbraw/zinc/51/25/16/558512516.db2.gz	DNVMOTZBOHNHNY-UHFFFAOYSA-N	-2	1	405.472	3.462	40	0		HGABML
COc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1	ZINC000223756285	568558203	/nfs/dbraw/zinc/55/82/03/568558203.db2.gz	CCUMSOLEYSNOCA-UHFFFAOYSA-N	-2	1	424.525	3.358	40	0		HGABML
Cc1nc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)[n-]c(=O)c1Cc1ccccc1	ZINC000005800355	568935956	/nfs/dbraw/zinc/93/59/56/568935956.db2.gz	WWQKJQXGPODJTQ-UHFFFAOYSA-N	-2	1	409.467	3.098	40	0		HGABML
O=C([O-])Cc1c(-c2n[nH]c(-c3ccccc3)c2CC(=O)[O-])[nH]nc1-c1ccccc1	ZINC000005479266	557656348	/nfs/dbraw/zinc/65/63/48/557656348.db2.gz	PYTHVCSWBVFCOD-UHFFFAOYSA-N	-2	1	402.410	3.388	40	0		HGABML
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(Cl)cc1	ZINC000020041180	558325858	/nfs/dbraw/zinc/32/58/58/558325858.db2.gz	KRDHBEZJQVJEKM-UHFFFAOYSA-N	-2	1	423.903	3.337	40	0		HGABML
COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc2s1	ZINC000223372078	568546850	/nfs/dbraw/zinc/54/68/50/568546850.db2.gz	ZEKKEEGWYIPBBD-UHFFFAOYSA-N	-2	1	409.416	3.326	40	0		HGABML
Cc1nnc(SC(=Cc2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C(=O)[O-])[nH]1	ZINC000006588229	569333552	/nfs/dbraw/zinc/33/35/52/569333552.db2.gz	BTTHXVHZSJEGRG-WMZJFQQLSA-N	-2	1	404.231	3.101	40	0		HGABML
Cc1nc(SC(=Cc2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C(=O)[O-])n[nH]1	ZINC000006588229	569333554	/nfs/dbraw/zinc/33/35/54/569333554.db2.gz	BTTHXVHZSJEGRG-WMZJFQQLSA-N	-2	1	404.231	3.101	40	0		HGABML
CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1C(=O)N1CCCC1	ZINC000026115585	569349935	/nfs/dbraw/zinc/34/99/35/569349935.db2.gz	VWRVIFAQOMLRNZ-UHFFFAOYSA-N	-2	1	420.512	3.144	40	0		HGABML