smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(Br)c([O-])c3ccccc23)cc1	ZINC000000645597	557035285	/nfs/dbraw/zinc/03/52/85/557035285.db2.gz	TUXDVSTYKGXLKB-UHFFFAOYSA-N	-2	3	420.328	5.232	50	10		HKCAHL
Cc1ccc(Sc2cc([N-]S(=O)(=O)c3ccccc3)c3ccccc3c2[O-])cc1	ZINC000000645675	557035201	/nfs/dbraw/zinc/03/52/01/557035201.db2.gz	HSGUQPDMBOLILV-UHFFFAOYSA-N	-2	3	421.543	5.806	50	10		HKCAHL
S=C([N-]N=c1nc(-c2ccccc2)c2cc(Cl)ccc2[n-]1)Nc1ccccc1	ZINC000000710139	568465215	/nfs/dbraw/zinc/46/52/15/568465215.db2.gz	VVQUAVUBFPYCLH-UHFFFAOYSA-N	-2	3	405.914	5.264	50	10		HKCAHL
O=S(=O)([N-]c1cc(Sc2ccccc2)c([O-])c2ccccc12)c1ccccc1	ZINC000001121602	557191329	/nfs/dbraw/zinc/19/13/29/557191329.db2.gz	SFAOCAPMYVDLBK-UHFFFAOYSA-N	-2	3	407.516	5.497	50	10		HKCAHL
O=S(=O)([N-]c1ccc([O-])c(Sc2nc3ccccc3s2)c1)c1cccs1	ZINC000001795871	569053190	/nfs/dbraw/zinc/05/31/90/569053190.db2.gz	CZMUKMGKQXFQOQ-UHFFFAOYSA-N	-2	3	420.562	5.015	50	10		HKCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(Sc3ccccc3)c([O-])c3ccccc23)cc1	ZINC000002852629	557405501	/nfs/dbraw/zinc/40/55/01/557405501.db2.gz	BLTMRVBHRPRVNU-UHFFFAOYSA-N	-2	3	421.543	5.806	50	10		HKCAHL
Cc1cc([O-])c(-c2c(O)ccc3ccccc32)cc1[N-]S(=O)(=O)c1cccs1	ZINC000004914203	559203225	/nfs/dbraw/zinc/20/32/25/559203225.db2.gz	KQLBGHNARITXTJ-UHFFFAOYSA-N	-2	3	411.504	5.089	50	10		HKCAHL
O=S(=O)([N-]c1cc(SCc2ccco2)c([O-])c2ccccc12)c1ccccc1	ZINC000004945027	559213883	/nfs/dbraw/zinc/21/38/83/559213883.db2.gz	SMFNOSSDKRVULH-UHFFFAOYSA-N	-2	3	411.504	5.232	50	10		HKCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccccc1Cl	ZINC000095477739	568631273	/nfs/dbraw/zinc/63/12/73/568631273.db2.gz	JLQQDPKPXUHLIM-UHFFFAOYSA-N	-2	3	409.829	5.349	50	10		HKCAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(Cl)cc1	ZINC000095477996	568631420	/nfs/dbraw/zinc/63/14/20/568631420.db2.gz	RARMMUSXUNWKCN-UHFFFAOYSA-N	-2	3	409.829	5.349	50	10		HKCAHL
S=C([N-]N=c1nc(-c2ccccc2)c2ccc(Cl)cc2[n-]1)Nc1ccccc1	ZINC000225783431	568674698	/nfs/dbraw/zinc/67/46/98/568674698.db2.gz	VHPIYMNCIRCWKO-UHFFFAOYSA-N	-2	3	405.914	5.264	50	10		HKCAHL