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(OCCCCNC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1 ZINC000043307393 562647492 /nfs/dbraw/zinc/64/74/92/562647492.db2.gz KMZKBAUYXRNDIT-UHFFFAOYSA-N 2 2 540.021 3.164 40 70 KGIBLP Cc1cc(NC(=O)NCCCOc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2Cl)ccc1S(=O)(=O)F ZINC000043307605 562647568 /nfs/dbraw/zinc/64/75/68/562647568.db2.gz IZKGWENSMDIUFX-UHFFFAOYSA-N 2 2 540.021 3.083 40 70 KGIBLP