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(=N)NC(=[NH2+])N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)cc1 ZINC000043860829 563171198 /nfs/dbraw/zinc/17/11/98/563171198.db2.gz CHFUTIAFIZJHAE-UHFFFAOYSA-N 1 3 465.982 3.749 1 70 JHIFHO CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CCCCc2cc(Cl)ccc2S(=O)(=O)F)c1 ZINC000043860927 563171227 /nfs/dbraw/zinc/17/12/27/563171227.db2.gz DMCJCOLNFQEFPH-UHFFFAOYSA-N 1 3 465.982 3.749 1 70 JHIFHO