smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000218068168 388576200 /nfs/dbraw/zinc/57/62/00/388576200.db2.gz KIBOKVUZAMLZOO-KBXIAJHMSA-N 2 1 238.419 2.789 10 70 BFIEMP