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)OC(=O)C(Cl)=NNc1ccc(Br)cc1 ZINC000100505654 431982210 /nfs/dbraw/zinc/98/22/10/431982210.db2.gz UQRFIWFWKPQYQI-XNTDXEJSSA-N 0 0 319.586 3.365 30 30 DGECRN