smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@@H]3[C@H](O)[C@@H]12	ZINC000013783397	562992875	/nfs/dbraw/zinc/99/28/75/562992875.db2.gz	IWVCMVBTMGNXQD-MZTJFGIHSA-N	-2	1	460.439	-1.244	1	30		JAEFML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@@H]3[C@H](O)[C@H]12	ZINC000013783399	562992932	/nfs/dbraw/zinc/99/29/32/562992932.db2.gz	IWVCMVBTMGNXQD-CEZCYPPHSA-N	-2	1	460.439	-1.244	1	30		JAEFML
CC(C)(O/N=C(/C(=O)N[C@H]1CN(C(=O)[N-]S(C)(=O)=O)C1=O)c1csc(N)n1)C(=O)[O-]	ZINC000026568530	563029856	/nfs/dbraw/zinc/02/98/56/563029856.db2.gz	MFLFBIXEISYVOG-ADBSPTDTSA-N	-2	1	462.466	-1.490	1	30		JAEFML
CC(C)(O/N=C(/C(=O)N[C@H]1CN(C([O-])=NS(C)(=O)=O)C1=O)c1csc(N)n1)C(=O)[O-]	ZINC000026568530	563029854	/nfs/dbraw/zinc/02/98/54/563029854.db2.gz	MFLFBIXEISYVOG-ADBSPTDTSA-N	-2	1	462.466	-1.490	1	30		JAEFML
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H]([NH3+])CC[P@](=O)([O-])O)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000027559367	563046616	/nfs/dbraw/zinc/04/66/16/563046616.db2.gz	XBHDLYFGHVKBTL-ZROIDTBISA-N	-2	1	457.442	-1.245	1	30		JAEFML
CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H]([NH3+])CC[P@](=O)([O-])O)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000027559740	563046715	/nfs/dbraw/zinc/04/67/15/563046715.db2.gz	XBHDLYFGHVKBTL-FBHFSLSBSA-N	-2	1	457.442	-1.245	1	30		JAEFML
CC#Cc1cn([C@@H]2C[C@H](O)[C@H](O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000040487270	563144517	/nfs/dbraw/zinc/14/45/17/563144517.db2.gz	OQZBPTMLBPHVIH-NRPADANISA-N	-3	1	492.163	-1.143	1	30		JAEFML
CC#Cc1cn([C@@H]2C[C@H](O)[C@H](O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000040487270	563144516	/nfs/dbraw/zinc/14/45/16/563144516.db2.gz	OQZBPTMLBPHVIH-NRPADANISA-N	-3	1	492.163	-1.143	1	30		JAEFML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12	ZINC000004019701	562931897	/nfs/dbraw/zinc/93/18/97/562931897.db2.gz	KTUXFHGUHYRDNF-PXOLEDIWSA-N	-2	1	460.439	-1.244	3	30	investigational	JAEFML