smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCn1ccc(CN[C@H](C)c2cccc(C)c2)c1 ZINC000160163975 327598438 /nfs/dbraw/zinc/59/84/38/327598438.db2.gz NXTGITUOSYNLIH-OAHLLOKOSA-N 0 3 256.393 4.057 10 70 CIIEHN