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+])N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)cc1 ZINC000043860829 563171196 /nfs/dbraw/zinc/17/11/96/563171196.db2.gz CHFUTIAFIZJHAE-UHFFFAOYSA-N 2 0 465.982 3.749 1 70 JHIFRP