smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])c([O-])cc3[O-])S2)cc1	ZINC000408783927	529689260	/nfs/dbraw/zinc/68/92/60/529689260.db2.gz	PGVAAWLHHFLUGC-CTJNPYBDSA-N	-2	1	387.417	3.168	40	5		GGBBML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Cl)c1OCC	ZINC000010013970	204328360	/nfs/dbraw/zinc/32/83/60/204328360.db2.gz	BMOQTVWONCFEMK-AATRIKPKSA-N	-2	1	381.772	3.005	40	5		GGBBML
O=c1[n-]c(C=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409350563	231194775	/nfs/dbraw/zinc/19/47/75/231194775.db2.gz	RYQQGVVDBWGDCS-XVNBXDOJSA-N	-2	1	397.303	3.062	40	5		GGBBML
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])c([O-])cc3[O-])S2)cc1	ZINC000408783924	529689991	/nfs/dbraw/zinc/68/99/91/529689991.db2.gz	PGVAAWLHHFLUGC-BHCQIWIZSA-N	-2	1	387.417	3.168	40	5		GGBBML
Cc1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)c([N+](=O)[O-])c1	ZINC000409328613	231189822	/nfs/dbraw/zinc/18/98/22/231189822.db2.gz	YTQXNLAPZCOGNT-DAXSKMNVSA-N	-2	1	384.304	3.443	40	5		GGBBML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Cl)c1OCC	ZINC000033712218	206097812	/nfs/dbraw/zinc/09/78/12/206097812.db2.gz	BMOQTVWONCFEMK-WAYWQWQTSA-N	-2	1	381.772	3.005	40	5		GGBBML
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000013346022	564276420	/nfs/dbraw/zinc/27/64/20/564276420.db2.gz	IYIJMXUQCCNGIS-FPYGCLRLSA-N	-2	1	382.781	3.147	40	5		GGBBML
Cc1oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2c1C(=O)[O-]	ZINC000011615812	570236133	/nfs/dbraw/zinc/23/61/33/570236133.db2.gz	CHFFDFWSSXCSSS-UHFFFAOYSA-N	-2	1	390.373	3.457	40	5		GGBBML
O=c1[n-]c(C=Cc2ccccc2OCc2ccccc2F)nc([O-])c1[N+](=O)[O-]	ZINC000102653313	570855506	/nfs/dbraw/zinc/85/55/06/570855506.db2.gz	NPDYLQSCSXZYMW-KTKRTIGZSA-N	-2	1	383.335	3.272	40	5		GGBBML
Cc1oc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2c1C(=O)[O-]	ZINC000011615813	211675468	/nfs/dbraw/zinc/67/54/68/211675468.db2.gz	BBQFLKJDRIOUDZ-UHFFFAOYSA-N	-2	1	390.373	3.457	40	5		GGBBML
O=c1[n-]c(C=Cc2coc3c(Cl)cc(Cl)cc3c2=O)nc([O-])c1[N+](=O)[O-]	ZINC000409380958	231198591	/nfs/dbraw/zinc/19/85/91/231198591.db2.gz	QENKPGRDVJRMRT-OWOJBTEDSA-N	-2	1	396.142	3.380	40	5		GGBBML
O=C([O-])c1cc(Cl)c(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000226354508	534543636	/nfs/dbraw/zinc/54/36/36/534543636.db2.gz	LVGZUIDWGBFFNW-UHFFFAOYSA-N	-2	1	391.188	3.401	40	5		GGBBML