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(COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1)N1CCOCC1	ZINC000008914628	569390934	/nfs/dbraw/zinc/39/09/34/569390934.db2.gz	BJZZSLXXTIXVHM-ZZXKWVIFSA-N	0	2	402.363	0.792	50	5		HCBALN
O=C(COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1)N1CCOCC1	ZINC000030840510	568895188	/nfs/dbraw/zinc/89/51/88/568895188.db2.gz	BJZZSLXXTIXVHM-UTCJRWHESA-N	0	2	402.363	0.379	50	5		HCBALN
CCC(=O)N1N=C(c2c(O)n(C)c(=O)n(C)c2=O)C[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000101764640	560800218	/nfs/dbraw/zinc/80/02/18/560800218.db2.gz	PKEQVGROYARQMZ-ZDUSSCGKSA-N	0	2	401.379	0.786	50	5		HCBALN
CCC(=O)N1N=C(c2c(O)n(C)c(=O)n(C)c2=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000101764644	560801093	/nfs/dbraw/zinc/80/10/93/560801093.db2.gz	PKEQVGROYARQMZ-CYBMUJFWSA-N	0	2	401.379	0.786	50	5		HCBALN
CCC(=O)N1N=C(c2c(O)n(C)c(=O)n(C)c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000101764689	560801056	/nfs/dbraw/zinc/80/10/56/560801056.db2.gz	WOFQISBKCDBDQW-ZDUSSCGKSA-N	0	2	401.379	0.786	50	5		HCBALN
CCC(=O)N1N=C(c2c(O)n(C)c(=O)n(C)c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000101764693	560801069	/nfs/dbraw/zinc/80/10/69/560801069.db2.gz	WOFQISBKCDBDQW-CYBMUJFWSA-N	0	2	401.379	0.786	50	5		HCBALN