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)=CCc1cc(C(=O)Nc2c([O-])c3ccc(O)c(Cl)c3oc2=O)ccc1O ZINC000005430831 560201960 /nfs/dbraw/zinc/20/19/60/560201960.db2.gz GQENLIMEQYDTDJ-UHFFFAOYSA-N -1 2 415.829 4.324 10 0 in-vitro HIAELM