smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1ccc(CN(C)Cc2ccccc2C[NH+](C)C)cc1)[NH+](C)C ZINC000215201587 241112070 /nfs/dbraw/zinc/11/20/70/241112070.db2.gz LTEYKKQVMWWNRW-SFHVURJKSA-N 2 3 339.527 4.003 50 0 EIAAHP C[C@H](c1ccc(CN(C)Cc2ccccc2C[NH+](C)C)cc1)[NH+](C)C ZINC000215201636 241111212 /nfs/dbraw/zinc/11/12/12/241111212.db2.gz LTEYKKQVMWWNRW-GOSISDBHSA-N 2 3 339.527 4.003 50 0 EIAAHP