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-])c1cc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)ccc1F	ZINC000790086067	1077944932	/nfs/dbraw/zinc/94/49/32/1077944932.db2.gz	YHZUTSAPLKVCLX-UHFFFAOYSA-N	-2	1	419.184	2.995	20	5		HFBDML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	ZINC000790386356	1078011742	/nfs/dbraw/zinc/01/17/42/1078011742.db2.gz	XARGBPQDNOCQGZ-UHFFFAOYSA-N	-2	1	409.376	2.927	20	5		HFBDML
O=C([O-])[C@H](CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1ccccc1	ZINC000790623776	1078080510	/nfs/dbraw/zinc/08/05/10/1078080510.db2.gz	STWVDNWOBJMWRM-CQSZACIVSA-N	-2	1	410.423	2.736	20	5		HFBDML
Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cccc1C(=O)[O-]	ZINC000790389961	1078012708	/nfs/dbraw/zinc/01/27/08/1078012708.db2.gz	NSZQJBPHOUGFEQ-UHFFFAOYSA-N	-2	1	409.376	2.927	20	5		HFBDML
O=C([O-])[C@H](Cc1cccc2ccccc21)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000790587697	1078062447	/nfs/dbraw/zinc/06/24/47/1078062447.db2.gz	ZUNRAEVMTIIOND-INIZCTEOSA-N	-2	1	418.402	2.861	20	5		HFBDML
COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1[N+](=O)[O-]	ZINC000790613869	1078076235	/nfs/dbraw/zinc/07/62/35/1078076235.db2.gz	VMJFGRJLIODDNI-UHFFFAOYSA-N	-2	1	423.403	2.889	20	5		HFBDML
O=C([O-])[C@@H](CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1ccccc1	ZINC000790623773	1078080411	/nfs/dbraw/zinc/08/04/11/1078080411.db2.gz	STWVDNWOBJMWRM-AWEZNQCLSA-N	-2	1	410.423	2.736	20	5		HFBDML
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1C(=O)[O-]	ZINC000790393319	1078014122	/nfs/dbraw/zinc/01/41/22/1078014122.db2.gz	FPDGXNHCGKRRPT-UHFFFAOYSA-N	-2	1	409.376	2.927	20	5		HFBDML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	ZINC000790381815	1078009450	/nfs/dbraw/zinc/00/94/50/1078009450.db2.gz	CDZWNNMSDYXMEY-UHFFFAOYSA-N	-2	1	409.376	2.927	20	5		HFBDML
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	ZINC000793404261	1078169248	/nfs/dbraw/zinc/16/92/48/1078169248.db2.gz	FXNVPAZWGAVSIS-UHFFFAOYSA-N	-2	1	420.378	2.931	20	5		HFBDML
Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(C)c1[N+](=O)[O-]	ZINC000790385343	1078011588	/nfs/dbraw/zinc/01/15/88/1078011588.db2.gz	RKZWLNJUJLDUJC-UHFFFAOYSA-N	-2	1	413.339	2.758	20	5		HFBDML
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)ccc1C(=O)[O-]	ZINC000790388426	1078012670	/nfs/dbraw/zinc/01/26/70/1078012670.db2.gz	IOXOONSFLXRCQQ-UHFFFAOYSA-N	-2	1	409.376	2.927	20	5		HFBDML
O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000790085153	1077924397	/nfs/dbraw/zinc/92/43/97/1077924397.db2.gz	IIIAFVLTGGVUDZ-UHFFFAOYSA-N	-2	1	418.181	2.772	20	5		HFBDML
O=C([O-])c1c(F)cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1F	ZINC000793987382	1078357095	/nfs/dbraw/zinc/35/70/95/1078357095.db2.gz	KKIANJQQQWFBND-UHFFFAOYSA-N	-2	1	406.750	2.703	20	5		HFBDML