smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN(C[C@H]1CNc2nc(N)[nH]c(=O)c2N1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028260517	563059340	/nfs/dbraw/zinc/05/93/40/563059340.db2.gz	YVMRPFLZJYKUQD-HIFRSBDPSA-N	-2	1	483.485	-0.254	1	30		JBEFML
C#CCN(C[C@@H]1CNc2nc(N)[nH]c(=O)c2N1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000028260523	563059334	/nfs/dbraw/zinc/05/93/34/563059334.db2.gz	YVMRPFLZJYKUQD-ZFWWWQNUSA-N	-2	1	483.485	-0.254	1	30		JBEFML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2c([O-])cccc2F)[C@@H](O)[C@H]1O	ZINC000028865808	563083673	/nfs/dbraw/zinc/08/36/73/563083673.db2.gz	MNXSVFWFEXFDGV-DMEFTLKTSA-N	-2	1	484.422	-0.861	1	30		JBEFML
Nc1nc(/C(=N/[O-])C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(/C=C4\CCNC4=O)CS[C@H]23)cs1	ZINC000029546140	563105905	/nfs/dbraw/zinc/10/59/05/563105905.db2.gz	OVBOYMOIFBVGTR-GWXNXOHWSA-N	-2	1	464.485	-0.912	1	30		JBEFML
C=CCSc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000035033756	563118383	/nfs/dbraw/zinc/11/83/83/563118383.db2.gz	FCNUIFOCIBZHHC-QCNRFFRDSA-N	-2	1	460.294	-0.633	1	30		JBEFML
C=CCSc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000035033756	563118381	/nfs/dbraw/zinc/11/83/81/563118381.db2.gz	FCNUIFOCIBZHHC-QCNRFFRDSA-N	-2	1	460.294	-0.633	1	30		JBEFML
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)nc1N	ZINC000040487294	563144511	/nfs/dbraw/zinc/14/45/11/563144511.db2.gz	RZETXRWMORWZMZ-NRPADANISA-N	-3	1	491.179	-0.854	1	30		JBEFML
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)nc1N	ZINC000040487294	563144510	/nfs/dbraw/zinc/14/45/10/563144510.db2.gz	RZETXRWMORWZMZ-NRPADANISA-N	-3	1	491.179	-0.854	1	30		JBEFML
C#C[C@@]1(CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1	ZINC000040943637	563159158	/nfs/dbraw/zinc/15/91/58/563159158.db2.gz	MDNXEWRQQBRWRA-SKDRFNHKSA-N	-3	1	488.175	-0.355	1	30		JBEFML
C#C[C@@]1(CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1	ZINC000040943637	563159157	/nfs/dbraw/zinc/15/91/57/563159157.db2.gz	MDNXEWRQQBRWRA-SKDRFNHKSA-N	-3	1	488.175	-0.355	1	30		JBEFML
C=CC[C@]1(CO[P@@](=O)([O-])O[P@](=O)([O-])O)O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049126302	563203014	/nfs/dbraw/zinc/20/30/14/563203014.db2.gz	MEIMUHGUGFMVCR-OTMMVIPVSA-N	-2	1	467.268	-0.800	1	30		JBEFML
C=CC[C@]1(CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049126302	563203013	/nfs/dbraw/zinc/20/30/13/563203013.db2.gz	MEIMUHGUGFMVCR-OTMMVIPVSA-N	-2	1	467.268	-0.800	1	30		JBEFML
C=CC[C@]1(CO[P@@](=O)([O-])O[P@](=O)([O-])O)O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049126306	563203026	/nfs/dbraw/zinc/20/30/26/563203026.db2.gz	MEIMUHGUGFMVCR-FIDNZITISA-N	-2	1	467.268	-0.800	1	30		JBEFML
C=CC[C@]1(CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049126306	563203025	/nfs/dbraw/zinc/20/30/25/563203025.db2.gz	MEIMUHGUGFMVCR-FIDNZITISA-N	-2	1	467.268	-0.800	1	30		JBEFML