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)CSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	ZINC000225822910	570538723	/nfs/dbraw/zinc/53/87/23/570538723.db2.gz	WMPRNXFJIDUMDM-UHFFFAOYSA-N	-1	1	372.859	4.100	40	5		FIBBMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)ccc1F	ZINC000226862951	206124069	/nfs/dbraw/zinc/12/40/69/206124069.db2.gz	VBCNVWOHDOIZMF-UHFFFAOYSA-N	-1	1	372.377	4.202	40	5		FIBBMM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000005941658	571295121	/nfs/dbraw/zinc/29/51/21/571295121.db2.gz	VHRCIRZJUXUVGP-UHFFFAOYSA-N	-1	1	368.414	4.371	40	5		FIBBMM
CC(C)CSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1	ZINC000224905828	571283325	/nfs/dbraw/zinc/28/33/25/571283325.db2.gz	OAISDVRDVPIXNO-UHFFFAOYSA-N	-1	1	372.859	4.100	40	5		FIBBMM
O=S(=O)([N-]c1ccnc2c3ccccc3ccc12)c1ccc(F)cc1	ZINC000040384331	571095186	/nfs/dbraw/zinc/09/51/86/571095186.db2.gz	LIGBPVMBHVLKBD-UHFFFAOYSA-N	-1	1	352.390	4.328	40	5		FIBBMM
O=C([O-])CCCCCNc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1	ZINC000045206851	570906600	/nfs/dbraw/zinc/90/66/00/570906600.db2.gz	LDJDKAOYAFJLCK-UHFFFAOYSA-N	-1	1	368.393	4.195	40	5		FIBBMM
Cc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)cc1	ZINC000222818720	571147705	/nfs/dbraw/zinc/14/77/05/571147705.db2.gz	WPRQLAFYTUBSRS-UHFFFAOYSA-N	-1	1	374.809	4.327	40	5		FIBBMM
Cc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cc1	ZINC000222665859	571146150	/nfs/dbraw/zinc/14/61/50/571146150.db2.gz	UMTXORIPYMBCCP-UHFFFAOYSA-N	-1	1	374.809	4.327	40	5		FIBBMM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000005126975	570586613	/nfs/dbraw/zinc/58/66/13/570586613.db2.gz	SAVDBCWDKMUCCC-UHFFFAOYSA-N	-1	1	354.815	4.172	40	5		FIBBMM
O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1[O-]	ZINC000059474402	571357347	/nfs/dbraw/zinc/35/73/47/571357347.db2.gz	CGOVOGNMYVGPGS-UHFFFAOYSA-N	-1	1	350.330	4.345	40	5		FIBBMM
Nc1c(-c2nc3ccc([N+](=O)[O-])cc3[n-]2)sc(=S)n1-c1ccccc1	ZINC000006161376	571295374	/nfs/dbraw/zinc/29/53/74/571295374.db2.gz	PNFWGRCYDXRHLF-UHFFFAOYSA-N	-1	1	369.431	4.302	40	5		FIBBMM
Nc1c(-c2nc3cc([N+](=O)[O-])ccc3[n-]2)sc(=S)n1-c1ccccc1	ZINC000006161376	571295375	/nfs/dbraw/zinc/29/53/75/571295375.db2.gz	PNFWGRCYDXRHLF-UHFFFAOYSA-N	-1	1	369.431	4.302	40	5		FIBBMM