smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cccc([C@H](Nc2cccc[nH+]2)c2ccc3cccnc3c2O)c1Cl ZINC000002502842 209368137 /nfs/dbraw/zinc/36/81/37/209368137.db2.gz KITWISGNBVVYDE-FQEVSTJZSA-N -2 2 377.831 4.896 10 10 aggregator GJCELL