smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(Cl)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000108069948	472999278	/nfs/dbraw/zinc/99/92/78/472999278.db2.gz	FOZIMNILJVTJGS-UTCJRWHESA-N	-2	1	337.719	2.606	40	5		EFBBML
CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])c([O-])c2)[n-]c1=O	ZINC000390834174	476805169	/nfs/dbraw/zinc/80/51/69/476805169.db2.gz	TZFNFWIBGZZMSU-RMKNXTFCSA-N	-2	1	345.311	2.533	40	5		EFBBML
O=[N+]([O-])c1ccc([C@@H](NCc2ccc(F)cc2)P(=O)([O-])[O-])cc1	ZINC000012949490	471808333	/nfs/dbraw/zinc/80/83/33/471808333.db2.gz	JJVRQNFWIUPJSX-AWEZNQCLSA-N	-2	1	340.247	2.700	40	5		EFBBML
O=[N+]([O-])c1ccc([C@H](NCc2ccc(F)cc2)P(=O)([O-])[O-])cc1	ZINC000012949485	207266407	/nfs/dbraw/zinc/26/64/07/207266407.db2.gz	JJVRQNFWIUPJSX-CQSZACIVSA-N	-2	1	340.247	2.700	40	5		EFBBML
O=c1[n-]c(C=Cc2ccc(Cl)cc2Cl)nc([O-])c1[N+](=O)[O-]	ZINC000009234895	211056528	/nfs/dbraw/zinc/05/65/28/211056528.db2.gz	ZVVCKXSOUUNFLV-DUXPYHPUSA-N	-2	1	328.111	2.861	40	5		EFBBML
O=C1[N-]C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3[O-])o2)S1	ZINC000408812444	476973933	/nfs/dbraw/zinc/97/39/33/476973933.db2.gz	MXUWKRYCIXQUTN-SDQBBNPISA-N	-2	1	332.293	2.884	40	5		EFBBML
O=c1[n-]c(C=Cc2cccc(Cl)c2Cl)nc([O-])c1[N+](=O)[O-]	ZINC000035079780	471993759	/nfs/dbraw/zinc/99/37/59/471993759.db2.gz	IZLHWUQBBTYPFI-PLNGDYQASA-N	-2	1	328.111	2.861	40	5		EFBBML
O=c1[n-]c(C=Cc2ccc(Cl)c([N+](=O)[O-])c2)nc([O-])c1[N+](=O)[O-]	ZINC000409341464	476981365	/nfs/dbraw/zinc/98/13/65/476981365.db2.gz	BBNSYROPVBKTLJ-DUXPYHPUSA-N	-2	1	338.663	2.528	40	5		EFBBML
O=C([O-])c1ccc(Sc2n[n-]c(C(F)(F)F)n2)c([N+](=O)[O-])c1	ZINC000078406567	201185521	/nfs/dbraw/zinc/18/55/21/201185521.db2.gz	YDVSGPTTWSWIBL-UHFFFAOYSA-N	-2	1	334.235	2.581	40	5		EFBBML
O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1n[n-]c(C(F)(F)F)n1	ZINC000078406598	217048638	/nfs/dbraw/zinc/04/86/38/217048638.db2.gz	FHFZXOWKSRDZKZ-UHFFFAOYSA-N	-2	1	334.235	2.581	40	5		EFBBML
O=c1[n-]c(C=Cc2c(Cl)cccc2Cl)nc([O-])c1[N+](=O)[O-]	ZINC000009010346	304813547	/nfs/dbraw/zinc/81/35/47/304813547.db2.gz	GLOXVSWPXMEYNI-PLNGDYQASA-N	-2	1	328.111	2.861	40	5		EFBBML
O=c1[n-]c(C=Cc2cc([N+](=O)[O-])ccc2Cl)nc([O-])c1[N+](=O)[O-]	ZINC000409346952	476981481	/nfs/dbraw/zinc/98/14/81/476981481.db2.gz	PCEMXHYNPBWGHM-DAFODLJHSA-N	-2	1	338.663	2.528	40	5		EFBBML