smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(C[N+](C)(C)CC[N+](C)(C)Cc2ccc(C(=O)OC)cc2)cc1 ZINC000002566572 717095432 /nfs/dbraw/zinc/09/54/32/717095432.db2.gz JAHYVBRFBRTKMX-UHFFFAOYSA-N 2 0 414.546 3.113 10 5 HGBERP