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)N1C[C@@H]2CCC[N@@H+]3CCC[C@H]([C@H]1CCCC(=O)N(C)Cc1ccc(N4CC[NH+](C)CC4)cc1)[C@H]23 ZINC000257195982 1059084332 /nfs/dbraw/zinc/08/43/32/1059084332.db2.gz XHARXPQYXZEFHP-UKRRFPHRSA-N 2 1 509.739 3.288 50 10 KGCAMP