smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCCCc2cc(Cl)ccc2S(=O)(=O)F)c1 ZINC000043860927 563171225 /nfs/dbraw/zinc/17/12/25/563171225.db2.gz DMCJCOLNFQEFPH-UHFFFAOYSA-N 2 1 465.982 3.749 1 70 JHIFMP