smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc([C@@H](Nc2cccc[nH+]2)n2nnc3ccccc32)ccc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000059488686	554398207	/nfs/dbraw/zinc/39/82/07/554398207.db2.gz	JOVUISLTIAWDDM-LJAQVGFWSA-N	2	2	520.597	4.716	40	10		KJCBLP
O=[N+]([O-])c1cc([C@H](Nc2cccc[nH+]2)n2nnc3ccccc32)ccc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000059488687	554398184	/nfs/dbraw/zinc/39/81/84/554398184.db2.gz	JOVUISLTIAWDDM-GDLZYMKVSA-N	2	2	520.597	4.716	40	10		KJCBLP
C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@@](C)([NH+](C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O2)c1C3=O	ZINC000082186460	553675432	/nfs/dbraw/zinc/67/54/32/553675432.db2.gz	MFTJRTUKCOVIMD-BYGRHIMGSA-N	2	2	688.818	4.678	40	10	in-vitro	KJCBLP
C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)([NH+](C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O2)c1C3=O	ZINC000082186463	553675489	/nfs/dbraw/zinc/67/54/89/553675489.db2.gz	MFTJRTUKCOVIMD-MBWDVDNASA-N	2	2	688.818	4.678	40	10	in-vitro	KJCBLP
C/C=C(/C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@@](C)([NH+](C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O2)c1C3=O	ZINC000085840853	553687097	/nfs/dbraw/zinc/68/70/97/553687097.db2.gz	MFTJRTUKCOVIMD-SQOCNNSZSA-N	2	2	688.818	4.678	40	10		KJCBLP
C/C=C(/C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)([NH+](C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O2)c1C3=O	ZINC000085840857	553687194	/nfs/dbraw/zinc/68/71/94/553687194.db2.gz	MFTJRTUKCOVIMD-MUTQFMDTSA-N	2	2	688.818	4.678	40	10		KJCBLP
CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)cc1	ZINC000223144155	571435914	/nfs/dbraw/zinc/43/59/14/571435914.db2.gz	QCMJXVBVLQSXDG-FQLXRVMXSA-N	2	2	532.758	4.640	40	10		KJCBLP
CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)cc1	ZINC000223144215	571435960	/nfs/dbraw/zinc/43/59/60/571435960.db2.gz	QCMJXVBVLQSXDG-WDYNHAJCSA-N	2	2	532.758	4.640	40	10		KJCBLP
CC[NH+](CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)cc1	ZINC000223144266	571435934	/nfs/dbraw/zinc/43/59/34/571435934.db2.gz	QCMJXVBVLQSXDG-URLMMPGGSA-N	2	2	532.758	4.640	40	10		KJCBLP
CC[NH+](CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)c2C)cc1	ZINC000223144337	571435868	/nfs/dbraw/zinc/43/58/68/571435868.db2.gz	QCMJXVBVLQSXDG-VMPREFPWSA-N	2	2	532.758	4.640	40	10		KJCBLP