smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)CCNc1ccc(C[NH3+])c2sc3ccccc3c(=O)c12 ZINC000003791310 204110150 /nfs/dbraw/zinc/11/01/50/204110150.db2.gz RPGMVOVTCDJHJS-UHFFFAOYSA-N 1 3 355.507 3.627 1 5 FHBFHO C[n+]1c2c3cc(F)cc(F)c3[n-]c2c(NCCC[NH+](C)C)c2ccccc21 ZINC000040950036 205085188 /nfs/dbraw/zinc/08/51/88/205085188.db2.gz WATBPXAWEJWVIL-UHFFFAOYSA-O 1 3 369.439 3.941 1 5 FHBFHO