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)CCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c21 ZINC000005845152 181289036 /nfs/dbraw/zinc/28/90/36/181289036.db2.gz VFPXGZCZMBPZJD-UHFFFAOYSA-N 2 1 310.357 3.270 1 10 DGCFMP