smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000096475660	206123705	/nfs/dbraw/zinc/12/37/05/206123705.db2.gz	DXTUXIZELWWQPC-NSIKDUERSA-N	-2	1	376.821	3.770	40	10		GHCBML
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c(Cl)c2)C1=O	ZINC000408888390	534146254	/nfs/dbraw/zinc/14/62/54/534146254.db2.gz	ZMEHVSFEQDKBRG-WUXMJOGZSA-N	-2	1	391.210	3.674	40	10		GHCBML
O=C1c2ccccc2C2=CS(=O)(=O)[N-]c3c(Oc4ccccc4)cc([O-])c1c32	ZINC000012376801	835694476	/nfs/dbraw/zinc/69/44/76/835694476.db2.gz	FYIIBTRVVKQPPT-UHFFFAOYSA-N	-2	1	391.404	3.873	40	10		GHCBML
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059247896	570652534	/nfs/dbraw/zinc/65/25/34/570652534.db2.gz	AVAHERCZOVEUHU-MKMNVTDBSA-N	-2	1	392.889	3.935	40	10		GHCBML
COc1ccc(-n2[n-]c(C)c(C=Nc3ccc(Cl)c(C(=O)[O-])c3)c2=O)cc1	ZINC000016160723	207072796	/nfs/dbraw/zinc/07/27/96/207072796.db2.gz	OTLQDTOMZXKNKD-YBEGLDIGSA-N	-2	1	385.807	3.765	40	10		GHCBML
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c(Cl)c2)C1=O	ZINC000408897077	231126405	/nfs/dbraw/zinc/12/64/05/231126405.db2.gz	VFKWOCNEFYBVTR-YRNVUSSQSA-N	-2	1	391.210	3.674	40	10		GHCBML
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408996082	231143908	/nfs/dbraw/zinc/14/39/08/231143908.db2.gz	KVYNTKWQWRDVKT-AUWJEWJLSA-N	-2	1	392.889	3.935	40	10		GHCBML
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408999017	231144645	/nfs/dbraw/zinc/14/46/45/231144645.db2.gz	RDMZVXWCBZFDAT-NSIKDUERSA-N	-2	1	392.889	3.935	40	10		GHCBML
COc1cc(-n2[n-]c(C)c(C=Nc3cccc(C(=O)[O-])c3)c2=O)ccc1Cl	ZINC000408537144	532961209	/nfs/dbraw/zinc/96/12/09/532961209.db2.gz	ZIDJKCZIERBPNW-GDNBJRDFSA-N	-2	1	385.807	3.765	40	10		GHCBML