smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nc(/C=C\c3ccc([O-])c([N+](=O)[O-])c3)cc(C(=O)[O-])c2c1	ZINC000436926487	944813671	/nfs/dbraw/zinc/81/36/71/944813671.db2.gz	LXHXRIUWPAJHLV-RQOWECAXSA-N	-2	0	366.329	3.726	20	5		FHBDRL
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc(Cl)c([O-])cc1Cl	ZINC000436774592	944604095	/nfs/dbraw/zinc/60/40/95/944604095.db2.gz	UCVBDAFFVNWSEH-UPHRSURJSA-N	-2	0	355.133	3.871	20	5		FHBDRL
COc1cc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)cc([N+](=O)[O-])c1[O-]	ZINC000440617590	947377204	/nfs/dbraw/zinc/37/72/04/947377204.db2.gz	UHNJBIQNFSOUHQ-GORDUTHDSA-N	-2	0	366.329	3.726	20	5		FHBDRL
O=[N+]([O-])c1ccc([O-])cc1CSc1n[n-]c(=NC2CCCCC2)s1	ZINC000436473234	944354514	/nfs/dbraw/zinc/35/45/14/944354514.db2.gz	FVSOAIAYYADNOP-UHFFFAOYSA-N	-2	0	366.468	3.611	20	5		FHBDRL
COc1ccc2nc(/C=C/c3ccc([O-])c([N+](=O)[O-])c3)cc(C(=O)[O-])c2c1	ZINC000436926486	944813845	/nfs/dbraw/zinc/81/38/45/944813845.db2.gz	LXHXRIUWPAJHLV-DUXPYHPUSA-N	-2	0	366.329	3.726	20	5		FHBDRL
O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436858500	944723174	/nfs/dbraw/zinc/72/31/74/944723174.db2.gz	GAGSOXBCZZURFT-SOFGYWHQSA-N	-2	0	363.329	3.626	20	5		FHBDRL
COc1cc(/C=C\c2ccc3cc(C(=O)[O-])ccc3n2)cc([N+](=O)[O-])c1[O-]	ZINC000440617587	947376851	/nfs/dbraw/zinc/37/68/51/947376851.db2.gz	UHNJBIQNFSOUHQ-DJWKRKHSSA-N	-2	0	366.329	3.726	20	5		FHBDRL
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cc(Cl)c([O-])cc1Cl	ZINC000436774591	944604208	/nfs/dbraw/zinc/60/42/08/944604208.db2.gz	UCVBDAFFVNWSEH-OWOJBTEDSA-N	-2	0	355.133	3.871	20	5		FHBDRL
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(F)c([O-])c(Cl)c1	ZINC000189917748	941303218	/nfs/dbraw/zinc/30/32/18/941303218.db2.gz	AOPUYQMMBUJKRI-UHFFFAOYSA-N	-2	0	361.112	3.704	20	5		FHBDRL
Cc1ccc(-c2ccc(C(CC(=O)[O-])CC(=O)[O-])cc2C)cc1[N+](=O)[O-]	ZINC000580725056	940482873	/nfs/dbraw/zinc/48/28/73/940482873.db2.gz	MSULXHLAIUEJEO-UHFFFAOYSA-N	-2	0	357.362	3.912	20	5		FHBDRL