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(=N)N1c1ccc(OCc2ccccc2S(=O)(=O)F)c(Cl)c1 ZINC000043300563 563119941 /nfs/dbraw/zinc/11/99/41/563119941.db2.gz KIBWWOFNWSHFON-UHFFFAOYSA-N 1 0 439.900 2.763 1 70 IFIFRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 ZINC000043300462 563119924 /nfs/dbraw/zinc/11/99/24/563119924.db2.gz JOPCUERNPQCTBV-UHFFFAOYSA-N 1 0 439.900 2.763 1 70 IFIFRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCc2cccc(S(=O)(=O)F)c2)c(Cl)c1 ZINC000043307584 563120051 /nfs/dbraw/zinc/12/00/51/563120051.db2.gz FEEGXWUMIRSYES-UHFFFAOYSA-N 1 0 439.900 2.763 1 70 IFIFRO