smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C(c1cccs1)C1([NH+]2CCCCC2)CCCCC1 ZINC000006017883 170168696 /nfs/dbraw/zinc/16/86/96/170168696.db2.gz REJZZKFPYQUFFT-UHFFFAOYSA-N 2 2 276.449 4.305 1 0 CIAFLP