smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[C@H]([NH3+])C(=O)N([O-])CCC[N+](C)(C)C ZINC000064559221 717132321 /nfs/dbraw/zinc/13/23/21/717132321.db2.gz UFALZKNOCFUELM-KRWDZBQOSA-N 1 3 330.537 3.159 1 30 EGEFHO CCCCCCCCCC[C@@H]([NH3+])C(=O)N([O-])CCC[N+](C)(C)C ZINC000064559222 717132460 /nfs/dbraw/zinc/13/24/60/717132460.db2.gz UFALZKNOCFUELM-QGZVFWFLSA-N 1 3 330.537 3.159 1 30 EGEFHO NC(=[NH2+])c1ccc2cc(C#Cc3ccc4c(c3)CCNC4)ccc2c1 ZINC000033504117 581097275 /nfs/dbraw/zinc/09/72/75/581097275.db2.gz ACKRFKIRNILEQJ-UHFFFAOYSA-N 1 3 325.415 3.169 1 30 in-vitro EGEFHO