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-])CSc1cc([N-]S(=O)(=O)c2ccccc2)c2ccccc2c1O	ZINC000000645676	206312199	/nfs/dbraw/zinc/31/21/99/206312199.db2.gz	WOOMMHUHOYPAOS-UHFFFAOYSA-N	-2	1	389.454	3.523	50	10		GHCAML
O=C1c2c([O-])ccc(Nc3ccccc3)c2C(=O)c2c([N+](=O)[O-])ccc([O-])c21	ZINC000038611779	570580884	/nfs/dbraw/zinc/58/08/84/570580884.db2.gz	DYALWCKAJBVSBZ-UHFFFAOYSA-N	-2	1	376.324	3.525	50	10		GHCAML
Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1Br	ZINC000328589796	452922242	/nfs/dbraw/zinc/92/22/42/452922242.db2.gz	FQKUQDJAHLEEGP-UHFFFAOYSA-N	-2	1	378.194	3.542	50	10		GHCAML
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc[nH]n3)c2)cc1	ZINC000006239799	570376931	/nfs/dbraw/zinc/37/69/31/570376931.db2.gz	DKHJPMFAKKYMKF-UHFFFAOYSA-N	-2	1	390.490	3.586	50	10		GHCAML
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Br)c2)cc1	ZINC000001234490	209317615	/nfs/dbraw/zinc/31/76/15/209317615.db2.gz	ZBFHHGMRUMLJBB-UHFFFAOYSA-N	-2	1	376.659	3.917	50	10		GHCAML
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000004688377	570393243	/nfs/dbraw/zinc/39/32/43/570393243.db2.gz	DXTUXIZELWWQPC-MKMNVTDBSA-N	-2	1	376.821	3.770	50	10		GHCAML
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)cc1Cl	ZINC000001178864	136196113	/nfs/dbraw/zinc/19/61/13/136196113.db2.gz	VACFMHSDJXTPRC-WUXMJOGZSA-N	-2	1	391.210	3.674	50	10		GHCAML
Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])c2)oc1C	ZINC000328596089	452922333	/nfs/dbraw/zinc/92/23/33/452922333.db2.gz	RXRRJGYCOLABRF-UHFFFAOYSA-N	-2	1	380.372	3.743	50	10		GHCAML