smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([N-]c1cc2ccccc2c2ccccc12)c1ccc(Cl)cc1	ZINC000000626211	570440090	/nfs/dbraw/zinc/44/00/90/570440090.db2.gz	DNJIWZNEIXJQGP-UHFFFAOYSA-N	-1	1	367.857	5.447	50	5		FKBAMM
Cc1ccc(C2=Nc3ccccc3N=C(c3cccc([N+](=O)[O-])c3)C2)c([O-])c1	ZINC000001302191	210340554	/nfs/dbraw/zinc/34/05/54/210340554.db2.gz	MPQWHOMMDOQNOA-UHFFFAOYSA-N	-1	1	371.396	5.254	50	5		FKBAMM
CC(C)(C)c1cc(C(C)(C)C)c([O-])c2oc(-c3ccc([N+](=O)[O-])cc3)nc21	ZINC000001809956	571194251	/nfs/dbraw/zinc/19/42/51/571194251.db2.gz	RRMGOIWUHXZLCR-UHFFFAOYSA-N	-1	1	368.433	5.704	50	5		FKBAMM
c1ccc2sc3c(-c4ccncc4)sc4ccccc4[n-]c-3nc2c1	ZINC000003032840	204074487	/nfs/dbraw/zinc/07/44/87/204074487.db2.gz	KEKMTTRGEHVQJD-UHFFFAOYSA-N	-1	1	359.479	6.130	50	5		FKBAMM
c1ccc2sc3c(-c4ccncc4)sc4ccccc4nc-3[n-]c2c1	ZINC000003032840	204074484	/nfs/dbraw/zinc/07/44/84/204074484.db2.gz	KEKMTTRGEHVQJD-UHFFFAOYSA-N	-1	1	359.479	6.130	50	5		FKBAMM
O=c1c2ccc3c4ccccc4oc4ccc(c([O-])c1-c1ccccc1)c2c43	ZINC000004577672	207028833	/nfs/dbraw/zinc/02/88/33/207028833.db2.gz	FNDLHGVNELJUOG-UHFFFAOYSA-N	-1	1	362.384	6.063	50	5		FKBAMM
Cc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3[O-])[nH]c2-c2ccccc2)cc1	ZINC000004844941	204169778	/nfs/dbraw/zinc/16/97/78/204169778.db2.gz	YKTXBJONEAZSKZ-UHFFFAOYSA-N	-1	1	371.396	5.333	50	5		FKBAMM
O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)c1	ZINC000008577725	204334870	/nfs/dbraw/zinc/33/48/70/204334870.db2.gz	YXKUONDRYNBSNG-UHFFFAOYSA-N	-1	1	363.398	5.086	50	5	aggregator	FKBAMM
O=[N+]([O-])c1cccc(-c2cc(-c3ccco3)cc(-c3ccccc3[O-])n2)c1	ZINC000095482119	209060041	/nfs/dbraw/zinc/06/00/41/209060041.db2.gz	KOPWXAGTCIUZMF-UHFFFAOYSA-N	-1	1	358.353	5.289	50	5		FKBAMM
Cc1ccc(C2=Nc3ccccc3N=C(c3ccc([N+](=O)[O-])cc3)C2)c([O-])c1	ZINC000100673411	570591052	/nfs/dbraw/zinc/59/10/52/570591052.db2.gz	MIUNKDIHQWOHBH-UHFFFAOYSA-N	-1	1	371.396	5.254	50	5		FKBAMM