smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3ccccc3nc3c2CCCC3)cc1 ZINC000028863603 717116364 /nfs/dbraw/zinc/11/63/64/717116364.db2.gz QQOQYSRVJHIFNC-UHFFFAOYSA-O 1 3 574.790 5.802 1 50 KKGFHO