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-])c1c2c(nc3ccccc31)/C(=C\c1ccc([N+](=O)[O-])c(O)c1)CC2	ZINC000498296092	1122690101	/nfs/dbraw/zinc/69/01/01/1122690101.db2.gz	MJKLURPCEAOUHG-XFXZXTDPSA-N	-1	2	362.341	4.034	20	5		FIBDLM
O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccc(O)c([N+](=O)[O-])c1)CC2	ZINC000436795460	1099327555	/nfs/dbraw/zinc/32/75/55/1099327555.db2.gz	FUNPFYPGYUAOTQ-XFXZXTDPSA-N	-1	2	362.341	4.034	20	5		FIBDLM
O=C([O-])CC/C(=C\c1cc(O)ccc1[N+](=O)[O-])c1nc2ccccc2s1	ZINC000433804552	1094114994	/nfs/dbraw/zinc/11/49/94/1094114994.db2.gz	ZLKAGHSZEQSYGD-PKNBQFBNSA-N	-1	2	370.386	4.316	20	5		FIBDLM
O=C([O-])CC/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc2ccccc2s1	ZINC000213146059	1116322207	/nfs/dbraw/zinc/32/22/07/1116322207.db2.gz	IREMFGGWDOLQKQ-XFXZXTDPSA-N	-1	2	370.386	4.316	20	5		FIBDLM
O=C([O-])CC/C(=C/c1ccc([N+](=O)[O-])c(O)c1)c1nc2ccccc2s1	ZINC000498296508	1122689519	/nfs/dbraw/zinc/68/95/19/1122689519.db2.gz	RBHZOLZQCXILDN-XFXZXTDPSA-N	-1	2	370.386	4.316	20	5		FIBDLM