smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[NH2+]CCCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c21 ZINC000005493360 563535032 /nfs/dbraw/zinc/53/50/32/563535032.db2.gz QXNCBKQFKXJKGD-UHFFFAOYSA-N 2 1 338.411 4.096 40 10 EICBMP CC[NH+](CC)CCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c21 ZINC000005649914 563543665 /nfs/dbraw/zinc/54/36/65/563543665.db2.gz KQXNZWRSJOPJHO-UHFFFAOYSA-N 2 1 338.411 4.050 40 10 EICBMP