smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nccn1CC[NH+](C)Cc1cc(C)cc(C[N@H+]2CCC[C@@H](C)C2)c1C ZINC000217780652 527424065 /nfs/dbraw/zinc/42/40/65/527424065.db2.gz XPPVQLBADSKETI-GOSISDBHSA-N 2 0 368.569 4.172 50 70 FIIARP