smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCC[NH2+]Cc1cc(I)cc(I)c1[O-])Cc1ccccc1 ZINC000242164677 572197019 /nfs/dbraw/zinc/19/70/19/572197019.db2.gz WWXXSOLMKLTBFZ-UHFFFAOYSA-N 2 0 536.195 4.213 50 10 KICARP