smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CC[NH+](CCNC=C2C(=O)NC(=O)NC2=O)CC1 ZINC000020135932 182190669 /nfs/dbraw/zinc/19/06/69/182190669.db2.gz DRFVZVJNVKPHCR-UHFFFAOYSA-N 1 2 309.326 -2.010 50 10 DACALO