smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]1(CCCOc2ccc([N+](=O)[O-])cc2)NC(=[NH2+])NC(=[NH2+])N1c1ccccc1 ZINC000001703068 206390316 /nfs/dbraw/zinc/39/03/16/206390316.db2.gz PERMMSGRHQHRCH-IBGZPJMESA-N 2 1 382.424 2.620 40 5 GFBBMP