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(C/C(=N/[O-])C(=O)NO)c1ccc([O-])cc1	ZINC000104238324	182279818	/nfs/dbraw/zinc/27/98/18/182279818.db2.gz	ZUJMYWJYNAEQIG-FLIBITNWSA-N	-2	1	238.199	0.301	40	30		BCEBML
N#Cc1c(=O)[n-]c2c(c1C(=O)[O-])CCC2	ZINC000082380776	384675294	/nfs/dbraw/zinc/67/52/94/384675294.db2.gz	KTYPFYXOYAYTGX-UHFFFAOYSA-N	-2	1	204.185	0.846	40	30		BCEBML
O=C1CN[C@H](c2cc([N+](=O)[O-])ccc2[O-])N1[O-]	ZINC000004809328	342752336	/nfs/dbraw/zinc/75/23/36/342752336.db2.gz	BDQSQYOQVPSDRE-VIFPVBQESA-N	-2	1	239.187	0.120	40	30		BCEBML
N#Cc1c(=O)[n-]c(C2CC2)cc1C(=O)[O-]	ZINC000168909410	357998057	/nfs/dbraw/zinc/99/80/57/357998057.db2.gz	CGDPHDZZAHUVNF-UHFFFAOYSA-N	-2	1	204.185	0.822	40	30		BCEBML
O=C1CN[C@@H](c2cc([N+](=O)[O-])ccc2[O-])N1[O-]	ZINC000001707093	342710363	/nfs/dbraw/zinc/71/03/63/342710363.db2.gz	BDQSQYOQVPSDRE-SECBINFHSA-N	-2	1	239.187	0.120	40	30		BCEBML
CC(=O)C1=C([O-])CC(C)(C(=O)[O-])CC1=O	ZINC000002244330	383956984	/nfs/dbraw/zinc/95/69/84/383956984.db2.gz	WNTRFUJLEUZOAI-UHFFFAOYSA-N	-2	1	212.201	0.841	40	30		BCEBML
O=C([O-])C1CC(=O)C(C(=O)C2CC2)=C([O-])C1	ZINC000002525436	342722427	/nfs/dbraw/zinc/72/24/27/342722427.db2.gz	DFFWZNDCNBOKDI-UHFFFAOYSA-N	-2	1	224.212	0.841	40	30	in-vitro	BCEBML
O=C(C/C(=N\[O-])C(=O)NO)c1ccc([O-])cc1	ZINC000017142032	182280116	/nfs/dbraw/zinc/28/01/16/182280116.db2.gz	ZUJMYWJYNAEQIG-DHZHZOJOSA-N	-2	1	238.199	0.301	40	30		BCEBML
O=c1[nH]c2ncccc2c([O-])c1/C=N\[O-]	ZINC000006188232	342774778	/nfs/dbraw/zinc/77/47/78/342774778.db2.gz	KJECJXGPQKZWJO-WCIBSUBMSA-N	-2	1	205.173	0.437	40	30		BCEBML