smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)CCCc1c([O-])nc(C(F)(F)F)[n-]c1=O ZINC000217598677 366267766 /nfs/dbraw/zinc/26/77/66/366267766.db2.gz AKLDGYBWXUZDKM-UHFFFAOYSA-N -2 0 293.245 1.318 40 70 CDIBRL