smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000768887849	1080833923	/nfs/dbraw/zinc/83/39/23/1080833923.db2.gz	SZDWEIUDIBQBDG-UHFFFAOYSA-N	-2	0	405.388	2.003	20	5		HEBDRL
COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(OC)c1OC	ZINC000768861544	1080842339	/nfs/dbraw/zinc/84/23/39/1080842339.db2.gz	LPMYMKGGZDODKS-UHFFFAOYSA-N	-2	0	418.405	2.181	20	5		HEBDRL
O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F	ZINC000743261621	1077016644	/nfs/dbraw/zinc/01/66/44/1077016644.db2.gz	IEDUYPGCFXMMRU-UHFFFAOYSA-N	-2	0	416.314	2.143	20	5		HEBDRL
Cc1cc(F)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)cc1[N+](=O)[O-]	ZINC000742026160	1076722691	/nfs/dbraw/zinc/72/26/91/1076722691.db2.gz	MHFSWTGDUDTEQN-UHFFFAOYSA-N	-2	0	412.351	2.313	20	5		HEBDRL
O=C([O-])C1(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCC1	ZINC000537364462	939265348	/nfs/dbraw/zinc/26/53/48/939265348.db2.gz	UYTKUPSUBYWDIC-UHFFFAOYSA-N	-2	0	419.415	2.133	20	5		HEBDRL
Cc1oc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000798411108	1079608841	/nfs/dbraw/zinc/60/88/41/1079608841.db2.gz	MVXVVSMVUNVCIB-UHFFFAOYSA-N	-2	0	419.209	2.435	20	5		HEBDRL
CC(C)(CC(=O)[O-])NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000767037920	1079623443	/nfs/dbraw/zinc/62/34/43/1079623443.db2.gz	DDQLMLJACDMGKY-UHFFFAOYSA-N	-2	0	421.431	2.379	20	5		HEBDRL
O=C([O-])c1coc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1	ZINC000785704153	1080213558	/nfs/dbraw/zinc/21/35/58/1080213558.db2.gz	JQBFGRNXGRCXGP-UHFFFAOYSA-N	-2	0	405.182	2.127	20	5		HEBDRL
CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000768886792	1080833460	/nfs/dbraw/zinc/83/34/60/1080833460.db2.gz	NCWINJBCDKXKTQ-UHFFFAOYSA-N	-2	0	405.388	2.003	20	5		HEBDRL
O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])n1	ZINC000740812193	1076261410	/nfs/dbraw/zinc/26/14/10/1076261410.db2.gz	WZSKJDDFYIFMFD-UHFFFAOYSA-N	-2	0	406.351	2.419	20	5		HEBDRL
COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1OC	ZINC000745997174	1078725443	/nfs/dbraw/zinc/72/54/43/1078725443.db2.gz	DAIHGKWJJPTXTP-UHFFFAOYSA-N	-2	0	400.340	2.250	20	5		HEBDRL
COC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000786098839	1080393485	/nfs/dbraw/zinc/39/34/85/1080393485.db2.gz	KLWFGHFCCLWFOX-UHFFFAOYSA-N	-2	0	408.388	2.199	20	5		HEBDRL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)OCCCO2	ZINC000768861493	1080842455	/nfs/dbraw/zinc/84/24/55/1080842455.db2.gz	JTNHNKHDZRELLZ-UHFFFAOYSA-N	-2	0	400.390	2.317	20	5		HEBDRL