smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000036152287	562048313	/nfs/dbraw/zinc/04/83/13/562048313.db2.gz	ATXGWBPEWGUGFS-CIUDSAMLSA-N	-3	1	505.210	0.266	1	10		KCCFML
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])C[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000040447757	562077004	/nfs/dbraw/zinc/07/70/04/562077004.db2.gz	DGAUZSHUMUJTDF-GUBZILKMSA-N	-3	1	503.238	0.377	1	10		KCCFML
Nc1ccc(CCSc2nc3c(ncn3[C@@H]3O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]3O)c(N)n2)cc1	ZINC000049739457	562673449	/nfs/dbraw/zinc/67/34/49/562673449.db2.gz	IAEUEMYQURUPGA-LSCFUAHRSA-N	-3	1	658.416	0.288	1	10		KCCFML
Nc1ccc(CCSc2nc3c(ncn3[C@@H]3O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]3O)c(N)n2)cc1	ZINC000049739457	562673448	/nfs/dbraw/zinc/67/34/48/562673448.db2.gz	IAEUEMYQURUPGA-LSCFUAHRSA-N	-3	1	658.416	0.288	1	10		KCCFML
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H](c1nn[n-]n1)[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1nnn[n-]1	ZINC000064447186	562705357	/nfs/dbraw/zinc/70/53/57/562705357.db2.gz	UBWKCYKMOLBASG-IABMMNSOSA-N	-2	1	522.434	0.831	1	10		KCCFML
[N-]=[N+]=N[C@H]1C[C@H](n2cnc3c2nc(N)[nH]c3=O)O[C@@H]1CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000066098796	562711014	/nfs/dbraw/zinc/71/10/14/562711014.db2.gz	JZBFFCANYXZLES-KVQBGUIXSA-N	-3	1	532.196	0.012	1	10		KCCFML
[N-]=[N+]=N[C@H]1C[C@H](n2cnc3c2nc(N)[nH]c3=O)O[C@@H]1CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000066098796	562711013	/nfs/dbraw/zinc/71/10/13/562711013.db2.gz	JZBFFCANYXZLES-KVQBGUIXSA-N	-3	1	532.196	0.012	1	10		KCCFML
Nc1nc2c(cnn2CCN2CCN(c3ccc(OCC(=O)[O-])cc3)CC2)c2nc([C@H](O)CCC(=O)[O-])nn21	ZINC000095582575	562772613	/nfs/dbraw/zinc/77/26/13/562772613.db2.gz	MVJRCKQZFMHEMY-GOSISDBHSA-N	-2	1	539.553	0.240	1	10		KCCFML
Nc1nc2c(cnn2CCN2CCN(c3ccc(OCC(=O)[O-])cc3)CC2)c2nc([C@@H](O)CCC(=O)[O-])nn21	ZINC000095582576	562772626	/nfs/dbraw/zinc/77/26/26/562772626.db2.gz	MVJRCKQZFMHEMY-SFHVURJKSA-N	-2	1	539.553	0.240	1	10		KCCFML