smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1C(=O)CO[C@H]2C[N@H+](CC3(O)CCN(c4ccc(OC)cc4)CC3)C[C@@H]21 ZINC000585282486 559119993 /nfs/dbraw/zinc/11/99/93/559119993.db2.gz DYPPIBFIBQLPCQ-PMACEKPBSA-N 1 1 419.522 0.585 40 10 HCCBMO COc1ccc(N2CCC(O)(C[N@H+]3CCN(C)C[C@@H](C(=O)N(C)C)C3)CC2)cc1 ZINC000585282544 559120060 /nfs/dbraw/zinc/12/00/60/559120060.db2.gz GLGNTJOWHWFHGW-GOSISDBHSA-N 1 1 404.555 0.978 40 10 HCCBMO COc1ccc(N2CCC(O)(C[N@H+]3CCN(C)C[C@H](C(=O)N(C)C)C3)CC2)cc1 ZINC000585282545 559120037 /nfs/dbraw/zinc/12/00/37/559120037.db2.gz GLGNTJOWHWFHGW-SFHVURJKSA-N 1 1 404.555 0.978 40 10 HCCBMO COc1ccc(N2CCC(O)(C[N@@H+](CCO)[C@@]3(C)CCS(=O)(=O)C3)CC2)cc1 ZINC000585282553 559120045 /nfs/dbraw/zinc/12/00/45/559120045.db2.gz GRVYYZCMUCJRKQ-IBGZPJMESA-N 1 1 412.552 0.898 40 10 HCCBMO COc1ccc(N2CCC(O)(C[N@@H+](CCO)[C@]3(C)CCS(=O)(=O)C3)CC2)cc1 ZINC000585282554 559120181 /nfs/dbraw/zinc/12/01/81/559120181.db2.gz GRVYYZCMUCJRKQ-LJQANCHMSA-N 1 1 412.552 0.898 40 10 HCCBMO CNC(=O)[C@H]1CN(C(C)=O)CC[N@@H+](CC2(O)CCN(c3ccc(OC)cc3)CC2)C1 ZINC000585282861 559120396 /nfs/dbraw/zinc/12/03/96/559120396.db2.gz IRUJHFBDLGCBNR-GOSISDBHSA-N 1 1 418.538 0.553 40 10 HCCBMO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@@H+](CC2(O)CCN(c3ccc(OC)cc3)CC2)C1 ZINC000585282870 559120345 /nfs/dbraw/zinc/12/03/45/559120345.db2.gz IRUJHFBDLGCBNR-SFHVURJKSA-N 1 1 418.538 0.553 40 10 HCCBMO