smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cc1)CC2 ZINC000029064187 561996291 /nfs/dbraw/zinc/99/62/91/561996291.db2.gz OZTAZMFFYFNCJK-UHFFFAOYSA-N 0 3 521.570 4.482 10 5 KIBEHN