smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2n(C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@@H](O)[C@@H]3O)c3[nH]c(=O)[n-]c(=O)c3nc-2c(=S)c1C ZINC001560406130 1066234863 /nfs/dbraw/zinc/23/48/63/1066234863.db2.gz ZPSYGSQNTFULQY-JVUNKVEOSA-N -3 3 817.624 -0.937 40 5 KBBBHL Cc1cc2n(C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@H](O)[C@@H]3O)c3[nH]c(=O)[n-]c(=O)c3nc-2c(=S)c1C ZINC001560406131 1066234900 /nfs/dbraw/zinc/23/49/00/1066234900.db2.gz ZPSYGSQNTFULQY-KBKIWECMSA-N -3 3 817.624 -0.937 40 5 KBBBHL Cc1cc2n(C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@@H](O)[C@H]3O)c3[nH]c(=O)[n-]c(=O)c3nc-2c(=S)c1C ZINC001560406132 1066234958 /nfs/dbraw/zinc/23/49/58/1066234958.db2.gz ZPSYGSQNTFULQY-PIMTUGGGSA-N -3 3 817.624 -0.937 40 5 KBBBHL Cc1cc2n(C[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]3O[C@H](n4cnc5c4ncnc5N)[C@H](O)[C@H]3O)c3[nH]c(=O)[n-]c(=O)c3nc-2c(=S)c1C ZINC001560406133 1066235340 /nfs/dbraw/zinc/23/53/40/1066235340.db2.gz ZPSYGSQNTFULQY-YLYFSOJYSA-N -3 3 817.624 -0.937 40 5 KBBBHL