smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@+]1(Cc2ccccc2)c2ccccc2C2=C1CCN(C)C2 ZINC000252429283 563914885 /nfs/dbraw/zinc/91/48/85/563914885.db2.gz UDZDTUFWJWBVSU-HSZRJFAPSA-N 1 3 305.445 4.274 50 5 biogenic DIBAHO CC[N@+]1(Cc2ccccc2)c2ccccc2C2=C1CCN(C)C2 ZINC000252429284 563914988 /nfs/dbraw/zinc/91/49/88/563914988.db2.gz UDZDTUFWJWBVSU-QHCPKHFHSA-N 1 3 305.445 4.274 50 5 biogenic DIBAHO