smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2nc3c([N+](=O)[O-])ccc(NCC[NH+](C)C)c3c(NCCN(C)C)c2c1 ZINC000031852780 556527033 /nfs/dbraw/zinc/52/70/33/556527033.db2.gz ZCZLOODDVPCOIS-UHFFFAOYSA-N 1 3 426.521 2.674 40 5 IFBBHO