smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1C2=CCC[C@H](CC[N+](C)(C)C)[C@H]1CCCC2 ZINC000104277568 370342433 /nfs/dbraw/zinc/34/24/33/370342433.db2.gz OMBLMIDOBXNZNL-GDBMZVCRSA-N 2 1 251.438 3.251 50 5 CGBAMP C[N@@H+]1C2=CCC[C@@H](CC[N+](C)(C)C)[C@H]1CCCC2 ZINC000216341616 376163114 /nfs/dbraw/zinc/16/31/14/376163114.db2.gz OMBLMIDOBXNZNL-GOEBONIOSA-N 2 1 251.438 3.251 50 5 CGBAMP C[N@H+]1[C@H]2CCCC[C@H]1[C@@H](CC[N+](C)(C)C)CCC2 ZINC000101042621 370287178 /nfs/dbraw/zinc/28/71/78/370287178.db2.gz RPCGKTNVLRSHRQ-PMPSAXMXSA-N 2 1 253.454 3.126 50 5 CGBAMP C[N@H+]1[C@H]2CCCC[C@H]1[C@H](CC[N+](C)(C)C)CCC2 ZINC000216341219 376162870 /nfs/dbraw/zinc/16/28/70/376162870.db2.gz RPCGKTNVLRSHRQ-JYJNAYRXSA-N 2 1 253.454 3.126 50 5 CGBAMP