smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(Cc2[nH]cc(-c3cccnc3)[nH+]2)cc1 ZINC000216627808 570305851 /nfs/dbraw/zinc/30/58/51/570305851.db2.gz DYZPYMZWAHVVJA-UHFFFAOYSA-N 1 2 269.735 3.716 40 70 CHIBLO