smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(OC[C@@H](O)Cn2c(NN=Cc3ccc([N+](=O)[O-])cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000033399080	553958678	/nfs/dbraw/zinc/95/86/78/553958678.db2.gz	JNBFPGGKMWMCNV-PDHRUYIUSA-N	0	1	509.479	1.226	10	30		KDEEMN
COc1ccc(OC[C@H](O)Cn2c(NN=Cc3ccc([N+](=O)[O-])cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000033399081	553958671	/nfs/dbraw/zinc/95/86/71/553958671.db2.gz	JNBFPGGKMWMCNV-CACIFTLBSA-N	0	1	509.479	1.226	10	30		KDEEMN
CO[C@@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O	ZINC000100014651	562806128	/nfs/dbraw/zinc/80/61/28/562806128.db2.gz	KUFRQPKVAWMTJO-SBNHGUPZSA-N	0	1	616.756	1.913	10	30		KDEEMN
CO[C@@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H]1OC(N)=O)C2=O	ZINC000100014658	554181243	/nfs/dbraw/zinc/18/12/43/554181243.db2.gz	KUFRQPKVAWMTJO-OQZPTVNQSA-N	0	1	616.756	1.913	10	30		KDEEMN
CO[C@@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H]1OC(N)=O)C2=O	ZINC000100014662	554181236	/nfs/dbraw/zinc/18/12/36/554181236.db2.gz	KUFRQPKVAWMTJO-ZNLIFZFPSA-N	0	1	616.756	1.913	10	30		KDEEMN