smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc([C@H](C)[NH2+]Cc2c(Cl)cccc2Cl)c1 ZINC000160174079 330860184 /nfs/dbraw/zinc/86/01/84/330860184.db2.gz RYUSOYSVJVPERI-LBPRGKRZSA-N 1 1 294.225 5.153 10 70 CKIEMO