smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)n2)cc1F ZINC000218277196 241310529 /nfs/dbraw/zinc/31/05/29/241310529.db2.gz DKLLOWARLKZNRP-LRCAOYNASA-N 1 0 331.435 4.659 20 70 EJIDRO