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)CCCNc1c2ccccc2nc2ccc(F)cc21 ZINC000004991171 170050410 /nfs/dbraw/zinc/05/04/10/170050410.db2.gz QSULHVGQHGNXFZ-UHFFFAOYSA-N 1 3 297.377 3.891 40 10 CHCBHO