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@H+](C)CC(=O)N1CCC([NH+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000216898038 570309113 /nfs/dbraw/zinc/30/91/13/570309113.db2.gz LMGZVFPATSEDAN-GOSISDBHSA-N 2 0 393.576 0.415 50 70 GCIARP