smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(C)CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000043071834 213557264 /nfs/dbraw/zinc/55/72/64/213557264.db2.gz XVPLIXKRBBGROX-LGMDPLHJSA-N 1 3 341.304 1.066 1 10 EDCFHO