smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N(Cc1cccnc1)C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(C)cc1 ZINC000034699280 569648530 /nfs/dbraw/zinc/64/85/30/569648530.db2.gz WSKAXOBFHIRBEP-FTJBHMTQSA-N 1 1 458.562 4.563 10 5 JJBEMO CC(=O)N(Cc1cccnc1)C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(C)cc1 ZINC000247963969 570071645 /nfs/dbraw/zinc/07/16/45/570071645.db2.gz WSKAXOBFHIRBEP-UIOOFZCWSA-N 1 1 458.562 4.563 10 5 JJBEMO CC(=O)N(Cc1cccnc1)C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(C)cc1 ZINC000169681682 569870806 /nfs/dbraw/zinc/87/08/06/569870806.db2.gz WSKAXOBFHIRBEP-IZZNHLLZSA-N 1 1 458.562 4.563 10 5 JJBEMO CC(=O)N(Cc1cccnc1)C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(C)cc1 ZINC000034699281 569648484 /nfs/dbraw/zinc/64/84/84/569648484.db2.gz WSKAXOBFHIRBEP-CLJLJLNGSA-N 1 1 458.562 4.563 10 5 JJBEMO