smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(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)c2cc1C ZINC000008215434 574412771 /nfs/dbraw/zinc/41/27/71/574412771.db2.gz VWWQXMAJTJZDQX-UYBVJOGSSA-N -2 2 785.557 -2.424 50 5 endogenous,world KABALL Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(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)c2cc1C ZINC000225153224 562880788 /nfs/dbraw/zinc/88/07/88/562880788.db2.gz VWWQXMAJTJZDQX-LLVVEODBSA-N -2 2 785.557 -2.424 50 5 KABALL Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(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)c2cc1C ZINC000253537608 572300195 /nfs/dbraw/zinc/30/01/95/572300195.db2.gz VWWQXMAJTJZDQX-GIHYUBPTSA-N -2 2 785.557 -2.012 50 5 KABALL Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(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)c2cc1C ZINC000253537609 572300183 /nfs/dbraw/zinc/30/01/83/572300183.db2.gz VWWQXMAJTJZDQX-HLUKVIMBSA-N -2 2 785.557 -2.012 50 5 KABALL Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(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)c2cc1C ZINC000253537610 572300190 /nfs/dbraw/zinc/30/01/90/572300190.db2.gz VWWQXMAJTJZDQX-XIBAMUJRSA-N -2 2 785.557 -2.012 50 5 KABALL