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)CCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000004362176 169962272 /nfs/dbraw/zinc/96/22/72/169962272.db2.gz VJGUBCUGFXDMEX-UHFFFAOYSA-N 2 0 279.387 3.752 50 10 CHCARP