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)(C)c1cc(Cl)c([O-])c(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000004132703 210128105 /nfs/dbraw/zinc/12/81/05/210128105.db2.gz KTLYJSQRMGFCJU-DJKKODMXSA-N -2 0 348.786 4.708 50 30 EJEARL Cc1cc(Br)c(O)c(C=Nc2cc(Cl)ccc2O)c1 ZINC000252597055 564121110 /nfs/dbraw/zinc/12/11/10/564121110.db2.gz COMOADLCDWOFKF-UHFFFAOYSA-N -2 0 340.604 4.573 50 30 EJEARL CC(C)(C)c1cc(Cl)c([O-])c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000004132704 210127893 /nfs/dbraw/zinc/12/78/93/210127893.db2.gz FRTXYXRGIDLZLN-DJKKODMXSA-N -2 0 348.786 4.708 50 30 EJEARL