smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@@H]1CS[C@@H](c2c(CO[P@@](=O)([O-])O)cnc(C)c2O)N1 ZINC000001608326 530114832 /nfs/dbraw/zinc/11/48/32/530114832.db2.gz OHRKOKMWZUMOMN-CABZTGNLSA-N -1 2 378.343 0.972 40 0 GCABLM CCOC(=O)[C@@H]1CS[C@@H](c2c(CO[P@](=O)([O-])O)cnc(C)c2O)N1 ZINC000001608326 530114835 /nfs/dbraw/zinc/11/48/35/530114835.db2.gz OHRKOKMWZUMOMN-CABZTGNLSA-N -1 2 378.343 0.972 40 0 GCABLM COC(=O)c1ccccc1NC(=O)CSc1nnc(CCC(=O)[O-])c(=O)[nH]1 ZINC000013092649 210049356 /nfs/dbraw/zinc/04/93/56/210049356.db2.gz FUIKHMJWEMJSRK-UHFFFAOYSA-N -1 2 392.393 0.700 40 0 GCABLM CCOC(=O)[C@H]1CS[C@@H](c2c(CO[P@@](=O)([O-])O)cnc(C)c2O)N1 ZINC000001608325 209333191 /nfs/dbraw/zinc/33/31/91/209333191.db2.gz OHRKOKMWZUMOMN-SKDRFNHKSA-N -1 2 378.343 0.972 40 0 GCABLM CCOC(=O)[C@H]1CS[C@@H](c2c(CO[P@](=O)([O-])O)cnc(C)c2O)N1 ZINC000001608325 209333196 /nfs/dbraw/zinc/33/31/96/209333196.db2.gz OHRKOKMWZUMOMN-SKDRFNHKSA-N -1 2 378.343 0.972 40 0 GCABLM CCOC(=O)[C@@H]1CS[C@H](c2c(CO[P@@](=O)([O-])O)cnc(C)c2O)N1 ZINC000001608328 212250496 /nfs/dbraw/zinc/25/04/96/212250496.db2.gz OHRKOKMWZUMOMN-JOYOIKCWSA-N -1 2 378.343 0.972 40 0 GCABLM CCOC(=O)[C@@H]1CS[C@H](c2c(CO[P@](=O)([O-])O)cnc(C)c2O)N1 ZINC000001608328 212250499 /nfs/dbraw/zinc/25/04/99/212250499.db2.gz OHRKOKMWZUMOMN-JOYOIKCWSA-N -1 2 378.343 0.972 40 0 GCABLM CCOC(=O)[C@H]1CS[C@H](c2c(CO[P@@](=O)([O-])O)cnc(C)c2O)N1 ZINC000001608327 212250856 /nfs/dbraw/zinc/25/08/56/212250856.db2.gz OHRKOKMWZUMOMN-BXKDBHETSA-N -1 2 378.343 0.972 40 0 GCABLM CCOC(=O)[C@H]1CS[C@H](c2c(CO[P@](=O)([O-])O)cnc(C)c2O)N1 ZINC000001608327 212250859 /nfs/dbraw/zinc/25/08/59/212250859.db2.gz OHRKOKMWZUMOMN-BXKDBHETSA-N -1 2 378.343 0.972 40 0 GCABLM