smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000190277727 1192232889 /nfs/dbraw/zinc/23/28/89/1192232889.db2.gz YAQYISPEDSOWBO-UHFFFAOYSA-N 2 0 397.501 0.719 10 5 GCBERP