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-])CCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[n-]c1=O	ZINC000012347424	570365223	/nfs/dbraw/zinc/36/52/23/570365223.db2.gz	FVGKABKQZXPXPA-UHFFFAOYSA-N	-2	0	379.354	0.821	50	5		GCBARL
O=c1cc2ncc(-c3n[nH]c(-c4cnc5cc(=O)[n-]n5c4)c3[N+](=O)[O-])cn2[n-]1	ZINC000003178359	1199994855	/nfs/dbraw/zinc/99/48/55/1199994855.db2.gz	NEWRMDTXJJZMGY-UHFFFAOYSA-N	-2	0	379.296	0.324	50	5		GCBARL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(N)=O	ZINC000009234843	221074562	/nfs/dbraw/zinc/07/45/62/221074562.db2.gz	DXMKLFGKVCUAFE-GQCTYLIASA-N	-2	0	376.325	0.817	50	5		GCBARL
Cn1c2cc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000012428002	221191603	/nfs/dbraw/zinc/19/16/03/221191603.db2.gz	HJCFSKSOGSILOO-ONEGZZNKSA-N	-2	0	388.296	0.653	50	5		GCBARL
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(CCOC(=O)CCC(=O)[O-])c2cc1C	ZINC000001666570	206388164	/nfs/dbraw/zinc/38/81/64/206388164.db2.gz	SCFUAUCXRARYED-UHFFFAOYSA-N	-2	0	386.364	0.609	50	5		GCBARL