smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000106124798 543204745 /nfs/dbraw/zinc/20/47/45/543204745.db2.gz NQBQXSJJXPVUFO-AWEZNQCLSA-N 1 3 351.447 2.128 10 5 FEBEHO COc1ccc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000106124803 543204347 /nfs/dbraw/zinc/20/43/47/543204347.db2.gz NQBQXSJJXPVUFO-CQSZACIVSA-N 1 3 351.447 2.128 10 5 FEBEHO