smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](Cc1ccc(I)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621953 551502885 /nfs/dbraw/zinc/50/28/85/551502885.db2.gz LXOXXTQKKRJNNB-QFIPXVFZSA-N -1 0 513.331 4.826 50 0 KJAARM O=C([O-])[C@@H](Cc1ccc(I)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621955 551502940 /nfs/dbraw/zinc/50/29/40/551502940.db2.gz LXOXXTQKKRJNNB-JOCHJYFZSA-N -1 0 513.331 4.826 50 0 KJAARM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c(Cl)c1Cl ZINC000000628038 551504275 /nfs/dbraw/zinc/50/42/75/551504275.db2.gz LYFLXMJFSQRXID-UHFFFAOYSA-N -1 0 501.413 4.912 50 0 KJAARM Cc1ccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCC4)c4ccccc34)C(=O)[N-]C2=S)cc1Cl ZINC000000634775 551505884 /nfs/dbraw/zinc/50/58/84/551505884.db2.gz KGBQVDCOJKSZEU-UDWIEESQSA-N -1 0 507.015 4.897 50 0 KJAARM NC(=O)c1ccccc1NC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)[O-] ZINC000000641385 551507039 /nfs/dbraw/zinc/50/70/39/551507039.db2.gz GXSOBAWCYYJLCN-UHFFFAOYSA-N -1 0 599.855 4.786 50 0 KJAARM O=C([O-])c1c(Br)c(Br)c(Br)c(Br)c1C(=O)NCc1ccco1 ZINC000000641852 551507090 /nfs/dbraw/zinc/50/70/90/551507090.db2.gz JQRSTUJLDRYFDL-UHFFFAOYSA-N -1 0 560.818 4.958 50 0 KJAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)Nc2cccc3nsnc32)cc1 ZINC000000652208 551512968 /nfs/dbraw/zinc/51/29/68/551512968.db2.gz RUFCWEYSPIASCP-UHFFFAOYSA-N -1 0 503.403 4.815 50 0 KJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc2)n1 ZINC000000655794 551513936 /nfs/dbraw/zinc/51/39/36/551513936.db2.gz UZKYGPPITLEOPB-UHFFFAOYSA-N -1 0 524.606 4.999 50 0 KJAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(COc4cccc(Cl)c4)c3)cc2)ncn1 ZINC000000656995 551514030 /nfs/dbraw/zinc/51/40/30/551514030.db2.gz LQCOHJPRTYQBMP-UHFFFAOYSA-N -1 0 524.986 4.771 50 0 KJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1 ZINC000000658937 551514571 /nfs/dbraw/zinc/51/45/71/551514571.db2.gz SRHXJTSCIHBRPG-UHFFFAOYSA-N -1 0 511.383 4.829 50 0 KJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3Br)cc2)no1 ZINC000000672593 551519703 /nfs/dbraw/zinc/51/97/03/551519703.db2.gz CHXYEVXAYIGVJS-UHFFFAOYSA-N -1 0 516.373 4.717 50 0 KJAARM Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000674422 551521170 /nfs/dbraw/zinc/52/11/70/551521170.db2.gz NXVFWOGJCGUTAX-UHFFFAOYSA-N -1 0 561.277 4.795 50 0 KJAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)c(Br)cc3C(C)C)cc2)nc(OC)n1 ZINC000000674714 551521350 /nfs/dbraw/zinc/52/13/50/551521350.db2.gz GTBDHNFGQZFONE-UHFFFAOYSA-N -1 0 579.473 4.506 50 0 KJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)c(Br)cc3C(C)C)cc2)no1 ZINC000000674724 551521315 /nfs/dbraw/zinc/52/13/15/551521315.db2.gz LFWIEEHBMFJAGH-UHFFFAOYSA-N -1 0 522.421 4.996 50 0 KJAARM COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cc(Br)c([O-])c(Br)c1 ZINC000000679324 551523462 /nfs/dbraw/zinc/52/34/62/551523462.db2.gz RSDVRUZMBYCWDE-QGZVFWFLSA-N -1 0 510.182 4.631 50 0 KJAARM COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cc(Br)c([O-])c(Br)c1 ZINC000000679325 551523488 /nfs/dbraw/zinc/52/34/88/551523488.db2.gz RSDVRUZMBYCWDE-KRWDZBQOSA-N -1 0 510.182 4.631 50 0 KJAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(COc4cccc(Cl)c4)c3)cc2)nc(OC)n1 ZINC000000679892 551523727 /nfs/dbraw/zinc/52/37/27/551523727.db2.gz FKSNBNCJBFLDJU-UHFFFAOYSA-N -1 0 555.012 4.779 50 0 KJAARM COc1ccccc1OCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)cc1 ZINC000000679952 551523822 /nfs/dbraw/zinc/52/38/22/551523822.db2.gz NCGOTESFLCEMQV-UHFFFAOYSA-N -1 0 524.986 4.771 50 0 KJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(Br)ccc1Br ZINC000000682318 551524724 /nfs/dbraw/zinc/52/47/24/551524724.db2.gz YTSGQEGVCURRAD-UHFFFAOYSA-N -1 0 517.224 4.721 50 0 KJAARM C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000682359 551524708 /nfs/dbraw/zinc/52/47/08/551524708.db2.gz FVEOXLDQVMBFRD-NSHDSACASA-N -1 0 561.277 4.875 50 0 KJAARM C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000682360 551524986 /nfs/dbraw/zinc/52/49/86/551524986.db2.gz FVEOXLDQVMBFRD-LLVKDONJSA-N -1 0 561.277 4.875 50 0 KJAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(COc4ccc(Br)cc4)cc3)cc2)nc(OC)n1 ZINC000000689122 551526737 /nfs/dbraw/zinc/52/67/37/551526737.db2.gz IWZMUMUEYDLPQR-UHFFFAOYSA-N -1 0 599.463 4.888 50 0 KJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(COc2ccc(Br)cc2)c1 ZINC000000689123 551526755 /nfs/dbraw/zinc/52/67/55/551526755.db2.gz JJGRHQWIZDZVHB-UHFFFAOYSA-N -1 0 539.411 4.871 50 0 KJAARM Cc1c(NC(=O)COc2c(Br)cc(Br)cc2Br)cccc1C(=O)[O-] ZINC000000692906 551527755 /nfs/dbraw/zinc/52/77/55/551527755.db2.gz SEIKTRTUCNCKAB-UHFFFAOYSA-N -1 0 521.987 4.998 50 0 KJAARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Br)c3OC)C2=O)c1 ZINC000000722526 551537929 /nfs/dbraw/zinc/53/79/29/551537929.db2.gz IENJYTWWSBARKS-VGOFMYFVSA-N -1 0 510.138 4.736 50 0 KJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Br)cc2)c1C ZINC000000729771 551539419 /nfs/dbraw/zinc/53/94/19/551539419.db2.gz OAFNRFKOIYTYCH-UHFFFAOYSA-N -1 0 559.236 4.635 50 0 KJAARM O=C(c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000000813253 551543709 /nfs/dbraw/zinc/54/37/09/551543709.db2.gz DMQYSAWCCWKBME-UHFFFAOYSA-N -1 0 588.922 4.594 50 0 KJAARM O=C([O-])c1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2Cl)c1 ZINC000000855876 551550325 /nfs/dbraw/zinc/55/03/25/551550325.db2.gz CLCLADVTSRTGNO-UHFFFAOYSA-N -1 0 509.765 4.854 50 0 KJAARM Cc1ccc(C)c(N(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000000866595 551552887 /nfs/dbraw/zinc/55/28/87/551552887.db2.gz MJGPSCPGSFOPMC-UHFFFAOYSA-N -1 0 549.674 4.938 50 0 KJAARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000000903962 551566895 /nfs/dbraw/zinc/56/68/95/551566895.db2.gz AIUUGXCEBWNBDU-MHWRWJLKSA-N -1 0 533.132 4.841 50 0 KJAARM Cc1ccc(C(=O)N[C@H](Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000911175 551570570 /nfs/dbraw/zinc/57/05/70/551570570.db2.gz VZHQCMZIPMCDBF-FQEVSTJZSA-N -1 0 542.876 4.741 50 0 KJAARM Cc1ccc(C(=O)N[C@@H](Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000911177 551570583 /nfs/dbraw/zinc/57/05/83/551570583.db2.gz VZHQCMZIPMCDBF-HXUWFJFHSA-N -1 0 542.876 4.741 50 0 KJAARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000938092 551587333 /nfs/dbraw/zinc/58/73/33/551587333.db2.gz CJYNFBNGCWLKLL-YFKPBYRVSA-N -1 0 576.861 4.832 50 0 KJAARM CC(C)C[C@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000938093 551587411 /nfs/dbraw/zinc/58/74/11/551587411.db2.gz CJYNFBNGCWLKLL-RXMQYKEDSA-N -1 0 576.861 4.832 50 0 KJAARM CCC[C@@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000938102 551587362 /nfs/dbraw/zinc/58/73/62/551587362.db2.gz AOLHDSURMZTIFV-BYPYZUCNSA-N -1 0 562.834 4.586 50 0 KJAARM CCC[C@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000938103 551587393 /nfs/dbraw/zinc/58/73/93/551587393.db2.gz AOLHDSURMZTIFV-SCSAIBSYSA-N -1 0 562.834 4.586 50 0 KJAARM CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000943706 551588139 /nfs/dbraw/zinc/58/81/39/551588139.db2.gz RTAGLJPSPWJMEF-UHFFFAOYSA-N -1 0 502.596 4.621 50 0 KJAARM Cc1cccc([N-]S(=O)(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)c3cccc4c3c2NC4=O)c1 ZINC000000944113 551588235 /nfs/dbraw/zinc/58/82/35/551588235.db2.gz AVPWPRKDGMSVDH-UHFFFAOYSA-N -1 0 507.593 4.624 50 0 KJAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(S(=O)(=O)Nc2ccccc2C)c2cccc3c2c1NC3=O ZINC000000944137 551588219 /nfs/dbraw/zinc/58/82/19/551588219.db2.gz RSSFJZOUGBAVCQ-UHFFFAOYSA-N -1 0 507.593 4.624 50 0 KJAARM O=C([O-])c1cccc(NC2=CC(=NS(=O)(=O)c3ccc(Br)cc3)c3ccccc3C2=O)c1 ZINC000000944507 551588103 /nfs/dbraw/zinc/58/81/03/551588103.db2.gz UYPSOBHWCAJZIE-LHLOQNFPSA-N -1 0 511.353 4.518 50 0 KJAARM CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000955748 551589824 /nfs/dbraw/zinc/58/98/24/551589824.db2.gz FQRXVQLNBGYEGU-UHFFFAOYSA-N -1 0 517.489 4.765 50 0 KJAARM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3Cl)cc2)cc1 ZINC000000982714 551592043 /nfs/dbraw/zinc/59/20/43/551592043.db2.gz WTQUIMPKRBMFEP-UHFFFAOYSA-N -1 0 517.412 4.612 50 0 KJAARM COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000000984851 551592472 /nfs/dbraw/zinc/59/24/72/551592472.db2.gz VYQJMTHVOPSRHB-ZFMOQTAHSA-N -1 0 508.571 4.709 50 0 KJAARM O=C([O-])c1ccc(N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1O ZINC000000990325 551593668 /nfs/dbraw/zinc/59/36/68/551593668.db2.gz UOJMQABAWBJHGR-UHFFFAOYSA-N -1 0 598.823 4.941 50 0 KJAARM CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cnc4ccccc4n3)cc2)cc(OCC)c1OCC ZINC000000997751 551595172 /nfs/dbraw/zinc/59/51/72/551595172.db2.gz YQMGQWQZWWICRD-UHFFFAOYSA-N -1 0 536.610 4.879 50 0 KJAARM CC(=O)N(C(=O)c1ccccc1C(=O)[O-])c1c(Br)cc(Br)cc1Br ZINC000001020885 551597259 /nfs/dbraw/zinc/59/72/59/551597259.db2.gz HCRMNKYDLUUCMF-UHFFFAOYSA-N -1 0 519.971 4.866 50 0 KJAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2c(-c3cccc(C(F)(F)F)c3)c(C(F)(F)F)nn2C)cc1 ZINC000001030368 551598187 /nfs/dbraw/zinc/59/81/87/551598187.db2.gz OPTHMEHDFBMJQD-UHFFFAOYSA-N -1 0 506.428 4.944 50 0 KJAARM O=S(=O)(CCSc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000001037574 551598907 /nfs/dbraw/zinc/59/89/07/551598907.db2.gz HBZOGKSQBLCTEU-UHFFFAOYSA-N -1 0 504.001 4.985 50 0 KJAARM COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1csc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000001039487 551598912 /nfs/dbraw/zinc/59/89/12/551598912.db2.gz NSQZGQCGQSGWBX-UHFFFAOYSA-N -1 0 512.968 4.593 50 0 KJAARM COc1ccc(-c2cc(-c3ccc(OC)cc3)nc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000001040937 551599145 /nfs/dbraw/zinc/59/91/45/551599145.db2.gz CPEPZYCJMMIOJX-UHFFFAOYSA-N -1 0 504.568 4.587 50 0 KJAARM O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000001050395 551599725 /nfs/dbraw/zinc/59/97/25/551599725.db2.gz TWYBZAQHIKOHLS-UHFFFAOYSA-N -1 0 509.971 4.916 50 0 KJAARM O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(I)cc2)c1 ZINC000001054962 551600098 /nfs/dbraw/zinc/60/00/98/551600098.db2.gz MPRZIAVMRUCXFP-UHFFFAOYSA-N -1 0 512.756 4.998 50 0 KJAARM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)c1 ZINC000001069326 551602507 /nfs/dbraw/zinc/60/25/07/551602507.db2.gz QOUHXAXPLJVVSZ-UHFFFAOYSA-N -1 0 501.449 4.729 50 0 KJAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccnc4)nc4ccc(Br)cc43)cc2)ncn1 ZINC000001074179 551603466 /nfs/dbraw/zinc/60/34/66/551603466.db2.gz FVDNPURCRXJHDQ-UHFFFAOYSA-N -1 0 591.447 4.911 50 0 KJAARM O=C([N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000001075215 551604044 /nfs/dbraw/zinc/60/40/44/551604044.db2.gz WIJWSEYMLHCGAZ-UHFFFAOYSA-N -1 0 512.413 4.633 50 0 KJAARM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(Cl)c1Cl ZINC000001127040 551614252 /nfs/dbraw/zinc/61/42/52/551614252.db2.gz WZNDHPDSPDPNPV-UHFFFAOYSA-N -1 0 505.376 4.743 50 0 KJAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)Nc4cc(Cl)cc(Cl)c4)CC3)cc21 ZINC000001127083 551614316 /nfs/dbraw/zinc/61/43/16/551614316.db2.gz JFLMLALBADHTDI-UHFFFAOYSA-N -1 0 523.417 4.685 50 0 KJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)c1 ZINC000001129416 551615367 /nfs/dbraw/zinc/61/53/67/551615367.db2.gz ZEOBYOOMUQSVJW-UHFFFAOYSA-N -1 0 595.699 4.890 50 0 KJAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)Nc4cccc5ccccc54)CC3)cc21 ZINC000001143204 551617624 /nfs/dbraw/zinc/61/76/24/551617624.db2.gz HUYBAIPVPMSTIX-UHFFFAOYSA-N -1 0 504.587 4.531 50 0 KJAARM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c(Cl)c1Cl ZINC000001145119 551618195 /nfs/dbraw/zinc/61/81/95/551618195.db2.gz LKLHTCTUVBHHQO-UHFFFAOYSA-N -1 0 501.413 4.912 50 0 KJAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(Br)cc3)c2)c1 ZINC000001196853 551622679 /nfs/dbraw/zinc/62/26/79/551622679.db2.gz UNKLNNQQSKDLRL-UHFFFAOYSA-N -1 0 509.765 4.854 50 0 KJAARM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000001197857 551623048 /nfs/dbraw/zinc/62/30/48/551623048.db2.gz NDWNLZAHOHUNKC-WQRHYEAKSA-N -1 0 522.941 4.611 50 0 KJAARM O=C([O-])c1c(Br)c(Br)c(Br)c(Br)c1C(=O)N1CCCC1 ZINC000001228363 1067157248 /nfs/dbraw/zinc/15/72/48/1067157248.db2.gz GTBLZPZKBWRMCC-UHFFFAOYSA-N -1 0 534.824 4.671 50 0 KJAARM O=C([O-])c1ccc(NC(=S)N[C@@H](NC(=O)Cc2cccc3ccccc32)C(Cl)(Cl)Cl)cc1 ZINC000001232984 551629466 /nfs/dbraw/zinc/62/94/66/551629466.db2.gz PGRGNHCRLZONQO-HXUWFJFHSA-N -1 0 510.830 4.880 50 0 KJAARM O=C([O-])c1ccc(NC(=S)N[C@H](NC(=O)Cc2cccc3ccccc32)C(Cl)(Cl)Cl)cc1 ZINC000001232985 551629455 /nfs/dbraw/zinc/62/94/55/551629455.db2.gz PGRGNHCRLZONQO-FQEVSTJZSA-N -1 0 510.830 4.880 50 0 KJAARM O=C([O-])c1cccc(NC(=S)N[C@@H](NC(=O)Cc2cccc3ccccc32)C(Cl)(Cl)Cl)c1 ZINC000001232986 551629459 /nfs/dbraw/zinc/62/94/59/551629459.db2.gz PBQZLYLDOAYDPW-HXUWFJFHSA-N -1 0 510.830 4.880 50 0 KJAARM 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0 553.206 4.795 50 0 KJAARM O=C([O-])c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1 ZINC000001878882 551723611 /nfs/dbraw/zinc/72/36/11/551723611.db2.gz GKGDYTLWUINVEC-KVEMZPMDSA-N -1 0 553.206 4.795 50 0 KJAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)cc1 ZINC000001878886 551723584 /nfs/dbraw/zinc/72/35/84/551723584.db2.gz GKGDYTLWUINVEC-SCAKWATOSA-N -1 0 553.206 4.795 50 0 KJAARM CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)n2)s1 ZINC000001895780 551727555 /nfs/dbraw/zinc/72/75/55/551727555.db2.gz YRYMDGOXNKPTMA-UHFFFAOYSA-N -1 0 504.619 4.764 50 0 KJAARM COc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(Br)cc4)cs3)cc2)nc(OC)n1 ZINC000001895849 551727596 /nfs/dbraw/zinc/72/75/96/551727596.db2.gz MNUUGDGTIXCBIP-UHFFFAOYSA-N -1 0 548.444 4.924 50 0 KJAARM COCCn1c([N-]S(=O)(=O)c2ccc(Cl)cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000001899516 551730258 /nfs/dbraw/zinc/73/02/58/551730258.db2.gz LRUJTIJVJZNLCT-UHFFFAOYSA-N -1 0 571.080 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/nfs/dbraw/zinc/73/82/87/551738287.db2.gz JPELPWFXSAYCTI-UHFFFAOYSA-N -1 0 509.472 4.787 50 0 KJAARM Cc1cccc(C(=O)NC([N-]c2nc3ccc(S(C)(=O)=O)cc3s2)(C(F)(F)F)C(F)(F)F)c1 ZINC000002050335 551738298 /nfs/dbraw/zinc/73/82/98/551738298.db2.gz UFYJJQVURABLKL-UHFFFAOYSA-N -1 0 511.469 4.671 50 0 KJAARM O=C([O-])CCCCCN1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000002062972 551743787 /nfs/dbraw/zinc/74/37/87/551743787.db2.gz SDZKCYILFRAAEE-UHFFFAOYSA-N -1 0 576.861 4.978 50 0 KJAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002068165 551746100 /nfs/dbraw/zinc/74/61/00/551746100.db2.gz FOMULFRQQVCHJJ-SCAKWATOSA-N -1 0 553.206 4.795 50 0 KJAARM O=C([O-])c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002068166 551746093 /nfs/dbraw/zinc/74/60/93/551746093.db2.gz FOMULFRQQVCHJJ-KVEMZPMDSA-N -1 0 553.206 4.795 50 0 KJAARM O=C([O-])c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002068168 551746055 /nfs/dbraw/zinc/74/60/55/551746055.db2.gz FOMULFRQQVCHJJ-JSZXIJHASA-N -1 0 553.206 4.795 50 0 KJAARM C=CCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1I ZINC000002080466 551751284 /nfs/dbraw/zinc/75/12/84/551751284.db2.gz RAGJSQULRSWWIH-XNTDXEJSSA-N -1 0 508.312 4.667 50 0 KJAARM N#Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1I ZINC000002080641 551751236 /nfs/dbraw/zinc/75/12/36/551751236.db2.gz NWTCSOFJNSKDQC-RGVLZGJSSA-N -1 0 583.382 4.712 50 0 KJAARM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3[O-])sc2=N1 ZINC000002086220 551756104 /nfs/dbraw/zinc/75/61/04/551756104.db2.gz GLGODNVPKDMUGL-QCHPHUCNSA-N -1 0 536.440 4.886 50 0 KJAARM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3[O-])sc2=N1 ZINC000002086222 551756153 /nfs/dbraw/zinc/75/61/53/551756153.db2.gz GLGODNVPKDMUGL-VZIOXZNFSA-N -1 0 536.440 4.886 50 0 KJAARM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NC(=O)c3ccccc3C(=O)[O-])c2cc1OC ZINC000002091628 551758916 /nfs/dbraw/zinc/75/89/16/551758916.db2.gz JWORADFZMPTQNQ-UHFFFAOYSA-N -1 0 502.523 4.811 50 0 biogenic KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-])oc1c3CCCC1 ZINC000002104720 551762809 /nfs/dbraw/zinc/76/28/09/551762809.db2.gz LJCIDGIXUCJMAZ-QFIPXVFZSA-N -1 0 505.592 4.772 50 0 biogenic KJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])oc1c3CCCC1 ZINC000002107922 551765129 /nfs/dbraw/zinc/76/51/29/551765129.db2.gz LKXPEEWATMCNST-DEOSSOPVSA-N -1 0 512.562 4.952 50 0 biogenic KJAARM Cc1c2ccc(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000002114587 551769047 /nfs/dbraw/zinc/76/90/47/551769047.db2.gz AZJZQQIQLHEHGL-DEOSSOPVSA-N -1 0 505.954 4.537 50 0 biogenic KJAARM Cc1c2ccc(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000002114589 551769280 /nfs/dbraw/zinc/76/92/80/551769280.db2.gz AZJZQQIQLHEHGL-XMMPIXPASA-N -1 0 505.954 4.537 50 0 biogenic KJAARM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3cccs3)c2cc1OC ZINC000002114983 551769230 /nfs/dbraw/zinc/76/92/30/551769230.db2.gz MLXQDCJLDXVYAT-UHFFFAOYSA-N -1 0 500.598 4.722 50 0 biogenic KJAARM Cc1oc2cc(OC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000002115957 551769430 /nfs/dbraw/zinc/76/94/30/551769430.db2.gz CLHDEGOQMDZUDB-HXUWFJFHSA-N -1 0 553.564 4.593 50 0 biogenic KJAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002117168 551769650 /nfs/dbraw/zinc/76/96/50/551769650.db2.gz RDWIBPWYCBFUIO-DEOSSOPVSA-N -1 0 511.530 4.883 50 0 biogenic KJAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000002117306 551769623 /nfs/dbraw/zinc/76/96/23/551769623.db2.gz GOMWXMHYXCEXEE-ZZZOPPGTSA-N -1 0 519.395 4.588 50 0 KJAARM Cc1cc(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)[O-])c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002119508 551770090 /nfs/dbraw/zinc/77/00/90/551770090.db2.gz YJYQFVAYKWTSMX-DEOSSOPVSA-N -1 0 531.630 4.882 50 0 biogenic KJAARM Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002119949 551770087 /nfs/dbraw/zinc/77/00/87/551770087.db2.gz TWOWGBQVULIYBL-QHCPKHFHSA-N -1 0 519.981 4.845 50 0 biogenic KJAARM Cc1cc(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002119951 551770107 /nfs/dbraw/zinc/77/01/07/551770107.db2.gz TWOWGBQVULIYBL-HSZRJFAPSA-N -1 0 519.981 4.845 50 0 biogenic KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002120412 551770180 /nfs/dbraw/zinc/77/01/80/551770180.db2.gz WHSSUFLNIUSVIA-RISWYLRJSA-N -1 0 593.057 4.809 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002120416 551770216 /nfs/dbraw/zinc/77/02/16/551770216.db2.gz WHSSUFLNIUSVIA-LMSRTUJASA-N -1 0 593.057 4.809 50 0 KJAARM Cc1c2ccc(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(C)c2oc(=O)c1Cc1ccccc1 ZINC000002120688 551770452 /nfs/dbraw/zinc/77/04/52/551770452.db2.gz XOORWTOWECGVIY-DEOSSOPVSA-N -1 0 519.981 4.845 50 0 biogenic KJAARM Cc1c2ccc(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(C)c2oc(=O)c1Cc1ccccc1 ZINC000002120690 551770476 /nfs/dbraw/zinc/77/04/76/551770476.db2.gz XOORWTOWECGVIY-XMMPIXPASA-N -1 0 519.981 4.845 50 0 biogenic KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])occ3C(C)(C)C ZINC000002120874 551770518 /nfs/dbraw/zinc/77/05/18/551770518.db2.gz WZWIRFMTIYKOQT-QHCPKHFHSA-N -1 0 500.551 4.981 50 0 biogenic KJAARM CC[C@@H](C)[C@H](NC(=O)CNC(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002122165 551770861 /nfs/dbraw/zinc/77/08/61/551770861.db2.gz WNFVFFJPQGXZIU-JWIGPWBQSA-N -1 0 546.620 4.796 50 0 biogenic KJAARM Cc1c(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002123251 551771254 /nfs/dbraw/zinc/77/12/54/551771254.db2.gz DSMDLKVMIKARRM-VWLOTQADSA-N -1 0 531.630 4.882 50 0 biogenic KJAARM Cc1c(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)[O-])ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002124865 551771640 /nfs/dbraw/zinc/77/16/40/551771640.db2.gz AOEWKJQUSISLIB-QHCPKHFHSA-N -1 0 503.576 4.650 50 0 biogenic KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])occ3-c1ccc(F)cc1 ZINC000002125042 551771656 /nfs/dbraw/zinc/77/16/56/551771656.db2.gz LDIUZAWBGGMIGB-DEOSSOPVSA-N -1 0 515.493 4.714 50 0 biogenic KJAARM C[C@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000002126812 551771994 /nfs/dbraw/zinc/77/19/94/551771994.db2.gz WEEYIODOKASRRM-MQNRADLISA-N -1 0 546.963 4.880 50 0 biogenic KJAARM C[C@@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000002126814 551772006 /nfs/dbraw/zinc/77/20/06/551772006.db2.gz WEEYIODOKASRRM-BZQUYTCOSA-N -1 0 546.963 4.880 50 0 biogenic KJAARM C[C@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000002126816 551772052 /nfs/dbraw/zinc/77/20/52/551772052.db2.gz WEEYIODOKASRRM-ODCWNRFASA-N -1 0 546.963 4.880 50 0 biogenic KJAARM C[C@@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000002126818 551771996 /nfs/dbraw/zinc/77/19/96/551771996.db2.gz WEEYIODOKASRRM-SGANQWHYSA-N -1 0 546.963 4.880 50 0 biogenic KJAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002128180 551772266 /nfs/dbraw/zinc/77/22/66/551772266.db2.gz OMKQWZVVMLVXAB-DEOSSOPVSA-N -1 0 516.550 4.704 50 0 biogenic KJAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Br)cc1)C(=O)[O-] ZINC000002128476 551772259 /nfs/dbraw/zinc/77/22/59/551772259.db2.gz WWIHRFCFRMBMIG-IBGZPJMESA-N -1 0 530.396 4.752 50 0 biogenic KJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-])oc1c3CCCC1 ZINC000002128642 551772393 /nfs/dbraw/zinc/77/23/93/551772393.db2.gz GLMPJQOQSDJBLO-DEOSSOPVSA-N -1 0 528.561 4.658 50 0 biogenic KJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-])oc1c3CCCC1 ZINC000002128644 551772395 /nfs/dbraw/zinc/77/23/95/551772395.db2.gz GLMPJQOQSDJBLO-XMMPIXPASA-N -1 0 528.561 4.658 50 0 biogenic KJAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N[C@@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000002128870 551772420 /nfs/dbraw/zinc/77/24/20/551772420.db2.gz UPPNQXQINVVHQN-DEOSSOPVSA-N -1 0 528.561 4.576 50 0 biogenic KJAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N[C@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000002128871 551772415 /nfs/dbraw/zinc/77/24/15/551772415.db2.gz UPPNQXQINVVHQN-XMMPIXPASA-N -1 0 528.561 4.576 50 0 biogenic KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-])occ3C(C)(C)C ZINC000002129857 551772625 /nfs/dbraw/zinc/77/26/25/551772625.db2.gz VQVMCKTVRYRYFK-QHCPKHFHSA-N -1 0 516.550 4.687 50 0 biogenic KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-])occ3C(C)(C)C ZINC000002129859 551772684 /nfs/dbraw/zinc/77/26/84/551772684.db2.gz VQVMCKTVRYRYFK-HSZRJFAPSA-N -1 0 516.550 4.687 50 0 biogenic KJAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(=O)oc12 ZINC000002131226 551772890 /nfs/dbraw/zinc/77/28/90/551772890.db2.gz YGVVVYBQGCZBQE-DEOSSOPVSA-N -1 0 530.577 4.995 50 0 biogenic KJAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(=O)oc12 ZINC000002131227 551772814 /nfs/dbraw/zinc/77/28/14/551772814.db2.gz YGVVVYBQGCZBQE-XMMPIXPASA-N -1 0 530.577 4.995 50 0 biogenic KJAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12 ZINC000002132221 551773053 /nfs/dbraw/zinc/77/30/53/551773053.db2.gz KLXAREHGBGYIKD-FPTDNZKUSA-N -1 0 526.973 4.555 50 0 biogenic KJAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12 ZINC000002132223 551773044 /nfs/dbraw/zinc/77/30/44/551773044.db2.gz KLXAREHGBGYIKD-PEBXRYMYSA-N -1 0 526.973 4.555 50 0 biogenic KJAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12 ZINC000002132225 551773088 /nfs/dbraw/zinc/77/30/88/551773088.db2.gz KLXAREHGBGYIKD-RCDICMHDSA-N -1 0 526.973 4.555 50 0 biogenic KJAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12 ZINC000002132227 551773082 /nfs/dbraw/zinc/77/30/82/551773082.db2.gz KLXAREHGBGYIKD-JLCFBVMHSA-N -1 0 526.973 4.555 50 0 biogenic KJAARM CC[C@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Br)cc1)C(=O)[O-] ZINC000002133427 551773056 /nfs/dbraw/zinc/77/30/56/551773056.db2.gz KPBSHIAMKZYHCY-RXBISOJRSA-N -1 0 583.435 4.551 50 0 biogenic KJAARM O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(c1ccccc1)c1ccccc1 ZINC000002135689 551773617 /nfs/dbraw/zinc/77/36/17/551773617.db2.gz AZBZNEZNCBXVDM-UHFFFAOYSA-N -1 0 508.650 4.589 50 0 KJAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N[C@@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000002138295 551774240 /nfs/dbraw/zinc/77/42/40/551774240.db2.gz QRBQNYPWJFKFAB-VWLOTQADSA-N -1 0 542.588 4.966 50 0 biogenic KJAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N[C@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000002138297 551774206 /nfs/dbraw/zinc/77/42/06/551774206.db2.gz QRBQNYPWJFKFAB-RUZDIDTESA-N -1 0 542.588 4.966 50 0 biogenic KJAARM COc1cc2c(cc1OC)[C@@H](c1c([O-])n(-c3ccccc3)c(=S)n(-c3ccccc3)c1=O)N(C(C)=O)CC2 ZINC000002140291 551774937 /nfs/dbraw/zinc/77/49/37/551774937.db2.gz PMLKTFBDNKRBHD-SANMLTNESA-N -1 0 529.618 4.574 50 0 biogenic KJAARM COc1cc2c(cc1OC)[C@H](c1c([O-])n(-c3ccccc3)c(=S)n(-c3ccccc3)c1=O)N(C(C)=O)CC2 ZINC000002140294 551774921 /nfs/dbraw/zinc/77/49/21/551774921.db2.gz PMLKTFBDNKRBHD-AREMUKBSSA-N -1 0 529.618 4.574 50 0 biogenic KJAARM CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)[O-] ZINC000002140501 551774933 /nfs/dbraw/zinc/77/49/33/551774933.db2.gz LTTOESVXABLSII-LCGBCNIPSA-N -1 0 501.664 4.826 50 0 biogenic KJAARM CC[C@H](C)[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)[O-] ZINC000002140546 551774912 /nfs/dbraw/zinc/77/49/12/551774912.db2.gz DLEAMLICSMSRRZ-RKUKZPSBSA-N -1 0 501.664 4.826 50 0 biogenic KJAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c(OCC(=O)[O-])c(Br)c3)C2=O)cc1 ZINC000002142274 551774948 /nfs/dbraw/zinc/77/49/48/551774948.db2.gz OCDMTOVKXUXRLV-PXNMLYILSA-N -1 0 539.791 4.549 50 0 KJAARM COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)c(OC)c1 ZINC000002144005 551775542 /nfs/dbraw/zinc/77/55/42/551775542.db2.gz SPDSJUJKDYUXPV-UHFFFAOYSA-N -1 0 594.646 4.613 50 0 KJAARM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000002144023 551775533 /nfs/dbraw/zinc/77/55/33/551775533.db2.gz HSUVGFUXYDCRML-QGMBQPNBSA-N -1 0 510.337 4.687 50 0 KJAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002155389 551779585 /nfs/dbraw/zinc/77/95/85/551779585.db2.gz PNAODLAZSJUWIH-DEOSSOPVSA-N -1 0 500.551 4.999 50 0 biogenic KJAARM C[S@](=O)(=NC(=S)[N-]C(=O)c1cnn2c1nc(C(F)(F)F)cc2C(F)(F)F)c1ccc(Cl)cc1 ZINC000002156975 551779890 /nfs/dbraw/zinc/77/98/90/551779890.db2.gz VCMDGKDQDRMKFZ-MGBGTMOVSA-N -1 0 529.875 4.592 50 0 KJAARM Cc1c2ccc(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000002158408 551780144 /nfs/dbraw/zinc/78/01/44/551780144.db2.gz XDWFPOZICRATHJ-VWLOTQADSA-N -1 0 517.603 4.574 50 0 biogenic KJAARM Cc1c2cc(Cl)c(OCC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000002161526 551781026 /nfs/dbraw/zinc/78/10/26/551781026.db2.gz OQFGZEQHZYRULC-VWLOTQADSA-N -1 0 560.990 4.723 50 0 biogenic KJAARM Cc1c2cc(Cl)c(OCC(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])cc2oc(=O)c1Cc1ccccc1 ZINC000002161529 551781023 /nfs/dbraw/zinc/78/10/23/551781023.db2.gz OQFGZEQHZYRULC-RUZDIDTESA-N -1 0 560.990 4.723 50 0 biogenic KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccccc1Cl ZINC000002163918 551781325 /nfs/dbraw/zinc/78/13/25/551781325.db2.gz YNFXZYCFJMWZBR-VZZQTLFRSA-N -1 0 568.276 4.573 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002163921 551781379 /nfs/dbraw/zinc/78/13/79/551781379.db2.gz YNFXZYCFJMWZBR-IISPMBILSA-N -1 0 568.276 4.573 50 0 KJAARM CSCC[C@@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000002171407 551782299 /nfs/dbraw/zinc/78/22/99/551782299.db2.gz MODAKIKOZDYIGO-BYPYZUCNSA-N -1 0 594.901 4.539 50 0 KJAARM CSCC[C@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000002171409 551782291 /nfs/dbraw/zinc/78/22/91/551782291.db2.gz MODAKIKOZDYIGO-SCSAIBSYSA-N -1 0 594.901 4.539 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000002185150 551786126 /nfs/dbraw/zinc/78/61/26/551786126.db2.gz ZICKEIARFQYEAF-YMSBRDKKSA-N -1 0 593.455 4.519 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000002185152 551786214 /nfs/dbraw/zinc/78/62/14/551786214.db2.gz ZICKEIARFQYEAF-IGSWSUAKSA-N -1 0 593.455 4.519 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000002185158 551786203 /nfs/dbraw/zinc/78/62/03/551786203.db2.gz KZLRKSVNZPYGRB-VZZQTLFRSA-N -1 0 568.276 4.573 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000002185160 551786208 /nfs/dbraw/zinc/78/62/08/551786208.db2.gz KZLRKSVNZPYGRB-IISPMBILSA-N -1 0 568.276 4.573 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000002189861 551789318 /nfs/dbraw/zinc/78/93/18/551789318.db2.gz KUXINJBPXBSCPH-LRUGRNCASA-N -1 0 594.645 4.918 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000002189863 551789266 /nfs/dbraw/zinc/78/92/66/551789266.db2.gz KUXINJBPXBSCPH-FQWZWQHVSA-N -1 0 594.645 4.918 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000002189938 551789468 /nfs/dbraw/zinc/78/94/68/551789468.db2.gz VRQZNFIWLWGVPJ-LRUGRNCASA-N -1 0 594.645 4.918 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000002189940 551789466 /nfs/dbraw/zinc/78/94/66/551789466.db2.gz VRQZNFIWLWGVPJ-FQWZWQHVSA-N -1 0 594.645 4.918 50 0 KJAARM O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000002207613 551793564 /nfs/dbraw/zinc/79/35/64/551793564.db2.gz ZPAAHLZDVFREDC-UHFFFAOYSA-N -1 0 542.646 4.861 50 0 KJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1Br)c1cccc2nsnc21 ZINC000002211316 552081310 /nfs/dbraw/zinc/08/13/10/552081310.db2.gz DCFXDFBOAIXABV-UHFFFAOYSA-N -1 0 513.402 4.941 50 0 KJAARM COC(=O)c1cc(OC)c(OC)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002214913 551794901 /nfs/dbraw/zinc/79/49/01/551794901.db2.gz LSNOWIUKXMTTGM-UHFFFAOYSA-N -1 0 528.974 4.631 50 0 KJAARM Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000002220432 551795966 /nfs/dbraw/zinc/79/59/66/551795966.db2.gz XUPFICUFELQUSG-UHFFFAOYSA-N -1 0 501.449 4.729 50 0 KJAARM Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000002238429 551798609 /nfs/dbraw/zinc/79/86/09/551798609.db2.gz GUWYFFAPQPDOCT-UHFFFAOYSA-N -1 0 514.654 4.665 50 0 KJAARM COc1ccc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000002272566 551805316 /nfs/dbraw/zinc/80/53/16/551805316.db2.gz PBHBDGBULFUYPA-UHFFFAOYSA-N -1 0 515.389 4.954 50 0 KJAARM COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000002304614 552090034 /nfs/dbraw/zinc/09/00/34/552090034.db2.gz FILZQRVNTWDZBD-UHFFFAOYSA-N -1 0 500.964 4.853 50 0 KJAARM CCCCNC(=O)c1c2nc3ccccc3nc2n(Cc2ccccc2)c1[N-]S(=O)(=O)c1ccccc1 ZINC000002307662 551808833 /nfs/dbraw/zinc/80/88/33/551808833.db2.gz PURMICVUBUVLRJ-UHFFFAOYSA-N -1 0 513.623 4.964 50 0 KJAARM Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)NCc3ccco3)c3nc4ccccc4nc3n2Cc2ccco2)cc1 ZINC000002311660 552090979 /nfs/dbraw/zinc/09/09/79/552090979.db2.gz GICBLNAZHYFRBO-UHFFFAOYSA-N -1 0 541.589 4.858 50 0 KJAARM CCOC(=O)c1c2nc3ccccc3nc2n(Cc2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002312822 552091159 /nfs/dbraw/zinc/09/11/59/552091159.db2.gz PIWHJBCAMFMHRO-UHFFFAOYSA-N -1 0 500.580 4.919 50 0 KJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Br)cc1)c1cccc2nsnc21 ZINC000002322615 552094557 /nfs/dbraw/zinc/09/45/57/552094557.db2.gz GKAFPGBSNHAUIM-UHFFFAOYSA-N -1 0 513.402 4.941 50 0 KJAARM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)c(C)c1 ZINC000002368744 552104817 /nfs/dbraw/zinc/10/48/17/552104817.db2.gz IBXDZNNQMHBCJG-UHFFFAOYSA-N -1 0 501.449 4.729 50 0 KJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)n1 ZINC000002369624 552104840 /nfs/dbraw/zinc/10/48/40/552104840.db2.gz HLQOLZHEKXTDFE-UHFFFAOYSA-N -1 0 532.072 4.889 50 0 KJAARM O=C([O-])[C@H](Cc1cccc(I)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002382673 552107725 /nfs/dbraw/zinc/10/77/25/552107725.db2.gz SSKOJXLIQFVOGC-QFIPXVFZSA-N -1 0 513.331 4.826 50 0 in-vitro KJAARM O=C([O-])[C@H](Cc1ccccc1I)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002382675 552107722 /nfs/dbraw/zinc/10/77/22/552107722.db2.gz YMKDZEDXFIXGNK-QFIPXVFZSA-N -1 0 513.331 4.826 50 0 KJAARM COc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc(C(=O)[O-])cc2)sc2c3CCCC2)cc1 ZINC000002389023 552108501 /nfs/dbraw/zinc/10/85/01/552108501.db2.gz OPBXSPGRIHKTJY-UHFFFAOYSA-N -1 0 521.620 4.764 50 0 KJAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1 ZINC000002392510 552109323 /nfs/dbraw/zinc/10/93/23/552109323.db2.gz UYHPXNCBNJYVJG-UHFFFAOYSA-N -1 0 510.373 4.521 50 0 KJAARM CCOC(=O)c1c2nc3ccccc3nc2n(CCc2ccccc2)c1[N-]S(=O)(=O)c1ccccc1 ZINC000002394692 552109668 /nfs/dbraw/zinc/10/96/68/552109668.db2.gz PSUFPCRRGYUHEW-UHFFFAOYSA-N -1 0 500.580 4.805 50 0 KJAARM COc1cc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1Cl ZINC000002410628 552113390 /nfs/dbraw/zinc/11/33/90/552113390.db2.gz HDLBOXMWSFOCQW-UHFFFAOYSA-N -1 0 529.003 4.850 50 0 KJAARM CCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000002411917 552113704 /nfs/dbraw/zinc/11/37/04/552113704.db2.gz PTMYCHPJTZHINO-UHFFFAOYSA-N -1 0 520.596 4.746 50 0 KJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(Br)c1)c1cccc2nsnc21 ZINC000002425562 552116690 /nfs/dbraw/zinc/11/66/90/552116690.db2.gz YZVQPSAQKFOCOO-UHFFFAOYSA-N -1 0 513.402 4.941 50 0 KJAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1 ZINC000002447839 552122091 /nfs/dbraw/zinc/12/20/91/552122091.db2.gz LJWFBYGSOYPQAD-UHFFFAOYSA-N -1 0 510.373 4.521 50 0 KJAARM O=S(=O)([N-]c1ccccc1)c1cc(S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)ccc1Cl ZINC000002468945 552124643 /nfs/dbraw/zinc/12/46/43/552124643.db2.gz DWXXUBWWFOORDN-UHFFFAOYSA-N -1 0 563.078 4.774 50 0 KJAARM Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC(=O)[O-])NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12 ZINC000002511787 552126566 /nfs/dbraw/zinc/12/65/66/552126566.db2.gz AMGSEJHFHIETMV-VWLOTQADSA-N -1 0 526.545 4.812 50 0 KJAARM CCC(=Cc1sc2ccccc2[n+]1CCCS(=O)(=O)[O-])/C=C1/Sc2ccccc2N1CCCS(=O)(=O)[O-] ZINC000002512406 552126757 /nfs/dbraw/zinc/12/67/57/552126757.db2.gz VVGKNWWJZBKMTM-UHFFFAOYSA-O -1 0 581.783 4.992 50 0 KJAARM O=C([O-])[C@H](Cc1ccc(O)c(I)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560021 552129717 /nfs/dbraw/zinc/12/97/17/552129717.db2.gz ZRJAMVZQFHAZAE-NRFANRHFSA-N -1 0 529.330 4.531 50 0 KJAARM O=C([O-])CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O ZINC000002564733 552129992 /nfs/dbraw/zinc/12/99/92/552129992.db2.gz WCXYOLGTVDFYTE-PMERELPUSA-N -1 0 531.568 4.820 50 0 KJAARM COCCCn1c([N-]S(=O)(=O)c2ccc(F)cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002595971 552134609 /nfs/dbraw/zinc/13/46/09/552134609.db2.gz NLDNJOPAMVNEQV-UHFFFAOYSA-N -1 0 568.652 4.702 50 0 KJAARM O=S(=O)([N-]c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cn1)c1ccc(Cl)s1 ZINC000002622146 552138126 /nfs/dbraw/zinc/13/81/26/552138126.db2.gz BIZHBSYRIFWKBY-UHFFFAOYSA-N -1 0 534.084 4.988 50 0 KJAARM COc1ccccc1N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)sc3Cl)cc2)CC1 ZINC000002632835 552140224 /nfs/dbraw/zinc/14/02/24/552140224.db2.gz UIWUKCMUUOXTIK-UHFFFAOYSA-N -1 0 526.467 4.827 50 0 KJAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000002637162 552141265 /nfs/dbraw/zinc/14/12/65/552141265.db2.gz XYJHVUXNKWLCFS-UHFFFAOYSA-N -1 0 514.195 4.535 50 0 KJAARM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cc12 ZINC000002638576 552141763 /nfs/dbraw/zinc/14/17/63/552141763.db2.gz JBJYEISHGKBCIW-UHFFFAOYSA-N -1 0 539.042 4.951 50 0 KJAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1 ZINC000002641488 552143325 /nfs/dbraw/zinc/14/33/25/552143325.db2.gz JXRUVRAQXDGNEH-UHFFFAOYSA-N -1 0 502.596 4.942 50 0 KJAARM Cc1ccc(N(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002641549 552143308 /nfs/dbraw/zinc/14/33/08/552143308.db2.gz MNOLDASGEQYWND-UHFFFAOYSA-N -1 0 570.718 4.785 50 0 KJAARM CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)c1 ZINC000002649196 552145933 /nfs/dbraw/zinc/14/59/33/552145933.db2.gz LKGBBIBYICKBAC-UHFFFAOYSA-N -1 0 549.877 4.621 50 0 KJAARM Cc1ccccc1-n1c(=O)c2c3c(sc2nc1SCC(=O)NCCCCCC(=O)[O-])CCCCC3 ZINC000002649236 552145909 /nfs/dbraw/zinc/14/59/09/552145909.db2.gz OAIMRMFKSMJNMJ-UHFFFAOYSA-N -1 0 513.685 4.878 50 0 KJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000002655230 552148573 /nfs/dbraw/zinc/14/85/73/552148573.db2.gz ZKNJHYVMEXCHKS-UHFFFAOYSA-N -1 0 589.120 4.597 50 0 KJAARM O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002656954 552149316 /nfs/dbraw/zinc/14/93/16/552149316.db2.gz XBLWKSXBLZLKJH-UHFFFAOYSA-N -1 0 538.636 4.515 50 0 KJAARM CCn1c(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)nc2cc(C(=O)[O-])ccc21 ZINC000002660013 552150309 /nfs/dbraw/zinc/15/03/09/552150309.db2.gz MLDJHHMIGQBMGJ-UHFFFAOYSA-N -1 0 516.579 4.763 50 0 KJAARM O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000002739373 552171296 /nfs/dbraw/zinc/17/12/96/552171296.db2.gz LVUKPHDLKYFFCZ-UHFFFAOYSA-N -1 0 578.079 4.909 50 0 KJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3)cc2)n1 ZINC000002739523 552171254 /nfs/dbraw/zinc/17/12/54/552171254.db2.gz IGDHSQLBQXWCAT-UHFFFAOYSA-N -1 0 557.661 4.564 50 0 KJAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(COc4ccc(Br)cc4)cc3)cc2)ncn1 ZINC000002760232 552182149 /nfs/dbraw/zinc/18/21/49/552182149.db2.gz UBEISHBREAXNOB-UHFFFAOYSA-N -1 0 569.437 4.880 50 0 KJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(COc2ccccc2Br)cc1 ZINC000002761211 552182499 /nfs/dbraw/zinc/18/24/99/552182499.db2.gz ZRXLQHOFKJSNFB-UHFFFAOYSA-N -1 0 539.411 4.871 50 0 KJAARM CCCc1cc2c(nc(C)n([N-]C(=O)c3cc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)c2=O)s1 ZINC000002780141 552188275 /nfs/dbraw/zinc/18/82/75/552188275.db2.gz CGTJJNHTRKBSNG-UHFFFAOYSA-N -1 0 518.546 4.893 50 0 KJAARM 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CCOC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000003321863 552355775 /nfs/dbraw/zinc/35/57/75/552355775.db2.gz BGGNOBAJHPARRG-UHFFFAOYSA-N -1 0 539.639 4.988 50 0 KJAARM O=C(CSc1nnc(SCc2ccccc2)s1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000003323443 552356034 /nfs/dbraw/zinc/35/60/34/552356034.db2.gz WJJDUOTUPCOARL-UHFFFAOYSA-N -1 0 535.723 4.819 50 0 KJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(SCc4ccccc4)s3)cc2)nc(C)n1 ZINC000003323502 552356273 /nfs/dbraw/zinc/35/62/73/552356273.db2.gz AZRDPFXVWSTOBZ-UHFFFAOYSA-N -1 0 558.736 4.769 50 0 KJAARM COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)ccc1OCc1ccccc1 ZINC000003328071 552357662 /nfs/dbraw/zinc/35/76/62/552357662.db2.gz BRPICKBLTSBWFC-UHFFFAOYSA-N -1 0 518.595 4.734 50 0 KJAARM COC(=O)c1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000003328412 552358204 /nfs/dbraw/zinc/35/82/04/552358204.db2.gz KJTVCIFSDSIGHB-UHFFFAOYSA-N -1 0 519.402 4.785 50 0 KJAARM O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000003328744 552358418 /nfs/dbraw/zinc/35/84/18/552358418.db2.gz PIFJWGJUBJWHEJ-UHFFFAOYSA-N -1 0 511.547 4.657 50 0 KJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)Nc4ccc(C)cc4)ccc3C)cc2)c1C ZINC000003340745 552362757 /nfs/dbraw/zinc/36/27/57/552362757.db2.gz AXPNAJOOKUXSOW-UHFFFAOYSA-N -1 0 554.650 4.762 50 0 KJAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2cc(Cl)ccc2Cl)c1 ZINC000003341467 552363218 /nfs/dbraw/zinc/36/32/18/552363218.db2.gz JHGNKXVAPOUVTJ-UHFFFAOYSA-N -1 0 571.822 4.585 50 0 KJAARM COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000003342506 552363716 /nfs/dbraw/zinc/36/37/16/552363716.db2.gz KQPOZDMTUSIVIG-UHFFFAOYSA-N -1 0 509.971 4.785 50 0 KJAARM COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c2)cc1Cl ZINC000003359604 552370655 /nfs/dbraw/zinc/37/06/55/552370655.db2.gz HOWKBIXFLLXUJV-HNNXBMFYSA-N -1 0 503.960 4.586 50 0 KJAARM COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)c3ccccc3)c2)cc1Cl ZINC000003359605 552370650 /nfs/dbraw/zinc/37/06/50/552370650.db2.gz HOWKBIXFLLXUJV-OAHLLOKOSA-N -1 0 503.960 4.586 50 0 KJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)cc1 ZINC000003363508 552372214 /nfs/dbraw/zinc/37/22/14/552372214.db2.gz ZWGPATIZZBMUKY-QGZVFWFLSA-N -1 0 561.454 4.857 50 0 KJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(SCc4ccc(F)cc4)s3)cc2)nc(C)n1 ZINC000003364455 552372701 /nfs/dbraw/zinc/37/27/01/552372701.db2.gz LVPVVOWZEWFOPP-UHFFFAOYSA-N -1 0 576.726 4.908 50 0 KJAARM O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000003367884 552374345 /nfs/dbraw/zinc/37/43/45/552374345.db2.gz FBRDJNGUGHRITD-UHFFFAOYSA-N -1 0 584.108 4.971 50 0 KJAARM O=C(c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000003378344 552377100 /nfs/dbraw/zinc/37/71/00/552377100.db2.gz ZWZWFCGNYPYQAP-UHFFFAOYSA-N -1 0 554.477 4.542 50 0 KJAARM Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C(=O)[O-])c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000003400048 1066514056 /nfs/dbraw/zinc/51/40/56/1066514056.db2.gz FTKJUJXTJAFSPS-QGOAFFKASA-N -1 0 510.012 4.835 50 0 KJAARM O=C(c1cc(C(=O)N2CCCC2)c2nc3scc(-c4ccccc4)c3c(=O)n2c1)c1cc(F)ccc1[O-] ZINC000003418748 552383386 /nfs/dbraw/zinc/38/33/86/552383386.db2.gz ZWIQNJKEDYJUSC-UHFFFAOYSA-N -1 0 513.550 4.888 50 0 KJAARM O=C(c1cc(C(=O)N2CCCC2)c2nc3sc(-c4ccccc4)cc3c(=O)n2c1)c1cc(F)ccc1[O-] ZINC000003418802 552383358 /nfs/dbraw/zinc/38/33/58/552383358.db2.gz FEZXHEDFVRIJIV-UHFFFAOYSA-N -1 0 513.550 4.888 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1 ZINC000003422098 552383963 /nfs/dbraw/zinc/38/39/63/552383963.db2.gz YPDWEUZKDOABDQ-UHFFFAOYSA-N -1 0 577.684 4.890 50 0 KJAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000003422855 552383879 /nfs/dbraw/zinc/38/38/79/552383879.db2.gz HKISTUDULQQATI-UHFFFAOYSA-N -1 0 524.234 4.942 50 0 KJAARM CCOCCCn1c(SCc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)nnc1-c1ccc(Cl)cc1 ZINC000003448084 552388528 /nfs/dbraw/zinc/38/85/28/552388528.db2.gz RPZQQNYZVYDCEA-UHFFFAOYSA-N -1 0 520.036 4.622 50 0 KJAARM Cc1cccc(-n2nnnc2Sc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000003453887 552389361 /nfs/dbraw/zinc/38/93/61/552389361.db2.gz SCFGSVJGEWWCHX-UHFFFAOYSA-N -1 0 510.004 4.519 50 0 KJAARM CSc1ccc(CN(C)c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003455585 552389458 /nfs/dbraw/zinc/38/94/58/552389458.db2.gz YRYJGFROSHDZFM-UHFFFAOYSA-N -1 0 508.625 4.560 50 0 KJAARM COC(=O)[C@@]([N-]c1cc(Cl)ccc1OC)(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000003619706 552393240 /nfs/dbraw/zinc/39/32/40/552393240.db2.gz FETWTFSLDOIBAQ-QGZVFWFLSA-N -1 0 515.794 4.912 50 0 KJAARM COC(=O)[C@]([N-]c1cc(Cl)ccc1OC)(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000003619708 552393153 /nfs/dbraw/zinc/39/31/53/552393153.db2.gz FETWTFSLDOIBAQ-KRWDZBQOSA-N -1 0 515.794 4.912 50 0 KJAARM CC(C)n1c2ccccc2c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)nc21 ZINC000003619802 552393194 /nfs/dbraw/zinc/39/31/94/552393194.db2.gz NTICRFFDJUDPJJ-UHFFFAOYSA-N -1 0 539.668 4.549 50 0 KJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc4c5ccccc5n(C(C)C)c4n3)cc2)c1C ZINC000003624336 552395057 /nfs/dbraw/zinc/39/50/57/552395057.db2.gz HGCPIEMEPHSETD-UHFFFAOYSA-N -1 0 551.654 4.697 50 0 KJAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2cccc(Br)c2)c3=O)cc1OC ZINC000003630301 552397296 /nfs/dbraw/zinc/39/72/96/552397296.db2.gz BHTYIMNSUBTJBY-UHFFFAOYSA-N -1 0 526.412 4.766 50 0 KJAARM O=C(c1ccc2c(=O)n(Cc3cccc(Br)c3)c(=S)[n-]c2c1)N1CCc2ccccc2C1 ZINC000003630302 552397317 /nfs/dbraw/zinc/39/73/17/552397317.db2.gz RJLWHAYHHKIWSA-UHFFFAOYSA-N -1 0 506.425 4.695 50 0 KJAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2cccc(Br)c2)c3=O)c(OC)c1 ZINC000003632206 552397742 /nfs/dbraw/zinc/39/77/42/552397742.db2.gz GIEIDZXGJDXHHJ-UHFFFAOYSA-N -1 0 526.412 4.766 50 0 KJAARM COc1ccc(OC)c(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2cccc(Br)c2)c3=O)c1 ZINC000003632208 552397725 /nfs/dbraw/zinc/39/77/25/552397725.db2.gz VOJGLDULTOEURY-UHFFFAOYSA-N -1 0 526.412 4.766 50 0 KJAARM COc1ccc(CCNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2cccc(Br)c2)c3=O)cc1OC ZINC000003632223 552397755 /nfs/dbraw/zinc/39/77/55/552397755.db2.gz LSWVHUVINQKDBV-UHFFFAOYSA-N -1 0 554.466 4.860 50 0 KJAARM COc1cc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2cccc(Br)c2)c3=O)cc(OC)c1OC ZINC000003632224 552397731 /nfs/dbraw/zinc/39/77/31/552397731.db2.gz XCMIJTZJAPMHGB-UHFFFAOYSA-N -1 0 556.438 4.774 50 0 KJAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)Nc4ccc(OC(F)(F)F)cc4)cc3[n-]c2=S)cc1 ZINC000003632306 552397934 /nfs/dbraw/zinc/39/79/34/552397934.db2.gz NAVSSESDSPITHP-UHFFFAOYSA-N -1 0 501.486 4.893 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000003671265 552412138 /nfs/dbraw/zinc/41/21/38/552412138.db2.gz PDIPLURHQJIBSN-BIWBSIMWSA-N -1 0 556.640 4.880 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000003671267 552412143 /nfs/dbraw/zinc/41/21/43/552412143.db2.gz PDIPLURHQJIBSN-ZGOFBEGVSA-N -1 0 556.640 4.880 50 0 KJAARM COc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4c[nH]c5ccccc54)cs3)cc2)nc(OC)n1 ZINC000003671578 552412473 /nfs/dbraw/zinc/41/24/73/552412473.db2.gz MMVVMSIXVKCAPT-UHFFFAOYSA-N -1 0 508.585 4.643 50 0 KJAARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=C(NCCc1c[nH]c2ccc(F)cc12)c1ccccc1 ZINC000003767787 552414888 /nfs/dbraw/zinc/41/48/88/552414888.db2.gz LNQMDPDQIHYWKX-WCWDXBQESA-N -1 0 547.384 4.896 50 0 KJAARM CSc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(C(=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000003770290 552415627 /nfs/dbraw/zinc/41/56/27/552415627.db2.gz JWXMSUDIABHNPM-SJJVXOANSA-N -1 0 510.640 4.739 50 0 KJAARM CSc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(C(=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000003770292 552415799 /nfs/dbraw/zinc/41/57/99/552415799.db2.gz JWXMSUDIABHNPM-GTWFGUSFSA-N -1 0 510.640 4.739 50 0 KJAARM COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C(=O)[O-])cc5)o4)c(=O)n32)cc1 ZINC000003771262 552416532 /nfs/dbraw/zinc/41/65/32/552416532.db2.gz PBCHHQKOLMNRHV-LAUBZIAYSA-N -1 0 591.645 4.841 50 0 KJAARM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(C(=O)[O-])cc5)o4)c(=O)n32)cc1 ZINC000003771264 552416554 /nfs/dbraw/zinc/41/65/54/552416554.db2.gz PBCHHQKOLMNRHV-HDFSHUSISA-N -1 0 591.645 4.841 50 0 KJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1I)c1ccccc1 ZINC000003832462 552419662 /nfs/dbraw/zinc/41/96/62/552419662.db2.gz ZQMNDNAUYWCFTJ-UHFFFAOYSA-N -1 0 502.337 4.779 50 0 KJAARM CCCCOC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)(C(F)(F)F)C(F)(F)F ZINC000003832823 1066371683 /nfs/dbraw/zinc/37/16/83/1066371683.db2.gz QEMGDBNHWRZHTP-UHFFFAOYSA-N -1 0 518.436 4.543 50 0 KJAARM COc1ccc(-c2nc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(Oc3ccccc3OC)c(OC[C@H](O)CO)n2)cc1 ZINC000003946367 1066517297 /nfs/dbraw/zinc/51/72/97/1066517297.db2.gz DRIHNVYRUGBDHI-JOCHJYFZSA-N -1 0 609.701 4.783 50 0 in-vitro KJAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCc2c(Cl)cccc2O[C@@H]2C[C@@]3(C(C)C)CC[C@]2(C)O3)cc1 ZINC000004110235 552438188 /nfs/dbraw/zinc/43/81/88/552438188.db2.gz OPXMGVHZCQCBFH-PZUNEJSGSA-N -1 0 507.052 4.952 50 0 KJAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCc2c(Cl)cccc2O[C@H]2C[C@@]3(C(C)C)CC[C@]2(C)O3)cc1 ZINC000004110236 552438141 /nfs/dbraw/zinc/43/81/41/552438141.db2.gz OPXMGVHZCQCBFH-ZKMPZPQNSA-N -1 0 507.052 4.952 50 0 KJAARM O=C([O-])c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3(Br)c3ccccc32)c1 ZINC000004157065 552443390 /nfs/dbraw/zinc/44/33/90/552443390.db2.gz ZWDICMWSETVOKV-KVEMZPMDSA-N -1 0 553.206 4.795 50 0 KJAARM O=C([O-])Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 ZINC000004217580 552450414 /nfs/dbraw/zinc/45/04/14/552450414.db2.gz UOWZUVNAGUAEQC-UHFFFAOYSA-N -1 0 621.934 4.625 50 0 world KJAARM COc1cc2c(cc1OC)[C@H](C)N(C(=O)CSC1=NC(=O)C(Cc3ccc(Cl)c(Cl)c3)C([O-])=N1)CC2 ZINC000004396549 552458676 /nfs/dbraw/zinc/45/86/76/552458676.db2.gz JIRLDNPBWQMFMK-ZDUSSCGKSA-N -1 0 550.464 4.628 50 0 biogenic KJAARM O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)c1cc(Br)ccc1Cl ZINC000004440879 552461360 /nfs/dbraw/zinc/46/13/60/552461360.db2.gz AFPAWKQSEUHBGU-UHFFFAOYSA-N -1 0 539.576 4.532 50 0 KJAARM COc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000004520842 552462323 /nfs/dbraw/zinc/46/23/23/552462323.db2.gz QDBMGOKXLJUUSV-DEOSSOPVSA-N -1 0 527.618 4.727 50 0 KJAARM CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000004522021 552462219 /nfs/dbraw/zinc/46/22/19/552462219.db2.gz MKTAORSCEDKPSZ-NRFANRHFSA-N -1 0 514.673 4.635 50 0 KJAARM Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C(=O)[O-])OC(C)(C)C2 ZINC000004544808 552465499 /nfs/dbraw/zinc/46/54/99/552465499.db2.gz HNICLNKVURBTKV-NDEPHWFRSA-N -1 0 648.782 4.900 50 0 in-vitro KJAARM Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C(=O)[O-])OC(C)(C)C2 ZINC000004544813 552465450 /nfs/dbraw/zinc/46/54/50/552465450.db2.gz HNICLNKVURBTKV-MUUNZHRXSA-N -1 0 648.782 4.900 50 0 KJAARM COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)C[C@@H]2OC(=O)CCC(=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000004556569 552466941 /nfs/dbraw/zinc/46/69/41/552466941.db2.gz XQFLSGUZSODAOB-CHQNGUEUSA-N -1 0 739.782 4.804 50 0 KJAARM COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)C[C@@H]2OC(=O)CCC(=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000004556570 552466863 /nfs/dbraw/zinc/46/68/63/552466863.db2.gz XQFLSGUZSODAOB-RWSKJCERSA-N -1 0 739.782 4.804 50 0 KJAARM COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)C[C@H]2OC(=O)CCC(=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000004556571 552466873 /nfs/dbraw/zinc/46/68/73/552466873.db2.gz XQFLSGUZSODAOB-AYQJTBPPSA-N -1 0 739.782 4.804 50 0 KJAARM COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)C[C@H]2OC(=O)CCC(=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000004556572 552466938 /nfs/dbraw/zinc/46/69/38/552466938.db2.gz XQFLSGUZSODAOB-MJSOWUPRSA-N -1 0 739.782 4.804 50 0 KJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)cc1 ZINC000004628772 552469172 /nfs/dbraw/zinc/46/91/72/552469172.db2.gz ZWGPATIZZBMUKY-KRWDZBQOSA-N -1 0 561.454 4.857 50 0 KJAARM CCOC(=O)[C@@](O)(c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1)C(F)(F)F ZINC000004647556 552470811 /nfs/dbraw/zinc/47/08/11/552470811.db2.gz XPXATMMKDBLMQR-VWLOTQADSA-N -1 0 560.554 4.796 50 0 KJAARM COc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4[nH]c5ccc(OC)cc5c4[n-]c3=S)cc2)cc1 ZINC000004793283 552485294 /nfs/dbraw/zinc/48/52/94/552485294.db2.gz QMFIHXPTGGKYLD-UHFFFAOYSA-N -1 0 500.580 4.536 50 0 KJAARM CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000005940342 552513304 /nfs/dbraw/zinc/51/33/04/552513304.db2.gz ZAZINNHCIINWQH-UHFFFAOYSA-N -1 0 540.038 4.563 50 0 KJAARM CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000005940394 552513449 /nfs/dbraw/zinc/51/34/49/552513449.db2.gz ZALFMXMNAXZLKO-UHFFFAOYSA-N -1 0 595.699 4.972 50 0 KJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccnc3Cl)ccc2OC)cc1Br ZINC000005940593 552513788 /nfs/dbraw/zinc/51/37/88/552513788.db2.gz ACAQJKURCUWPJN-UHFFFAOYSA-N -1 0 540.823 4.958 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C/c2cccc(Br)c2)ccc1N1CCOCC1 ZINC000005941335 552513751 /nfs/dbraw/zinc/51/37/51/552513751.db2.gz ADOCTKBVFCVONP-FMIVXFBMSA-N -1 0 572.481 4.747 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(O)cc3)C2=O)c1 ZINC000005941404 552514054 /nfs/dbraw/zinc/51/40/54/552514054.db2.gz BFLDYWHAIHDMAW-XIEYBQDHSA-N -1 0 541.585 4.842 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(O)c3)C2=O)c1 ZINC000005941421 552514089 /nfs/dbraw/zinc/51/40/89/552514089.db2.gz VBCZNONIPGHUCD-XIEYBQDHSA-N -1 0 541.585 4.842 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3O)C2=O)c1 ZINC000005941449 552514060 /nfs/dbraw/zinc/51/40/60/552514060.db2.gz QJFFLUBHTVLVLH-PTGBLXJZSA-N -1 0 541.585 4.842 50 0 KJAARM Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000006038714 552520558 /nfs/dbraw/zinc/52/05/58/552520558.db2.gz HPRQZEYENKSTBQ-RCCKNPSSSA-N -1 0 524.649 4.723 50 0 KJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4nc5c(cc4c3N)CCCCC5)cc2)n1 ZINC000006088326 552529996 /nfs/dbraw/zinc/52/99/96/552529996.db2.gz LQBXOXIMHZRTRV-UHFFFAOYSA-N -1 0 522.656 4.607 50 0 KJAARM O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006093037 552533786 /nfs/dbraw/zinc/53/37/86/552533786.db2.gz KUCULHSWCQEKKF-CXUHLZMHSA-N -1 0 540.580 4.921 50 0 KJAARM O=C1c2ccccc2C(=CNc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000006093363 552533915 /nfs/dbraw/zinc/53/39/15/552533915.db2.gz QPDYRUJDTQBTEZ-KQWNVCNZSA-N -1 0 531.981 4.571 50 0 KJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)cc2)n1 ZINC000006110444 552534491 /nfs/dbraw/zinc/53/44/91/552534491.db2.gz BAXAISMHGOLNOX-VGOFMYFVSA-N -1 0 509.657 4.544 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)N3c4ccccc4C[C@H]3C)nc2c1 ZINC000006130745 552534811 /nfs/dbraw/zinc/53/48/11/552534811.db2.gz VJKSMQHOPBPQSF-MRXNPFEDSA-N -1 0 509.609 4.707 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)N3c4ccccc4C[C@@H]3C)nc2c1 ZINC000006130747 552534808 /nfs/dbraw/zinc/53/48/08/552534808.db2.gz VJKSMQHOPBPQSF-INIZCTEOSA-N -1 0 509.609 4.707 50 0 KJAARM CCCC[C@H](OC(=O)c1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000006141591 552542971 /nfs/dbraw/zinc/54/29/71/552542971.db2.gz XQFUTBAKUNRNRN-DEOSSOPVSA-N -1 0 524.643 4.865 50 0 KJAARM CCCC[C@@H](OC(=O)c1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000006141593 552542967 /nfs/dbraw/zinc/54/29/67/552542967.db2.gz XQFUTBAKUNRNRN-XMMPIXPASA-N -1 0 524.643 4.865 50 0 KJAARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)Cc1ccccc1 ZINC000006141830 552542983 /nfs/dbraw/zinc/54/29/83/552542983.db2.gz AMMTWHYXBFKFAB-KRWDZBQOSA-N -1 0 520.529 4.710 50 0 KJAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N(C)Cc1ccccc1 ZINC000006141832 552542957 /nfs/dbraw/zinc/54/29/57/552542957.db2.gz AMMTWHYXBFKFAB-QGZVFWFLSA-N -1 0 520.529 4.710 50 0 KJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCC[C@H](C)C1 ZINC000006141954 552542956 /nfs/dbraw/zinc/54/29/56/552542956.db2.gz HOLZFLZIQZTAFB-HNNXBMFYSA-N -1 0 505.438 4.828 50 0 KJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCC[C@@H](C)C1 ZINC000006141955 552542993 /nfs/dbraw/zinc/54/29/93/552542993.db2.gz HOLZFLZIQZTAFB-OAHLLOKOSA-N -1 0 505.438 4.828 50 0 KJAARM CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)c1 ZINC000006141967 552543281 /nfs/dbraw/zinc/54/32/81/552543281.db2.gz CVOXAOZFVPPCRP-AWEZNQCLSA-N -1 0 506.989 4.589 50 0 KJAARM CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)c1 ZINC000006141968 552543273 /nfs/dbraw/zinc/54/32/73/552543273.db2.gz CVOXAOZFVPPCRP-CQSZACIVSA-N -1 0 506.989 4.589 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000006143008 552544605 /nfs/dbraw/zinc/54/46/05/552544605.db2.gz AFLFJTCAHRXJEF-AWEZNQCLSA-N -1 0 523.394 4.987 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000006143009 552544618 /nfs/dbraw/zinc/54/46/18/552544618.db2.gz AFLFJTCAHRXJEF-CQSZACIVSA-N -1 0 523.394 4.987 50 0 KJAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)ccc2F)cc1 ZINC000006144264 552545771 /nfs/dbraw/zinc/54/57/71/552545771.db2.gz ZXFNBCXGGTWUHP-HUUCEWRRSA-N -1 0 571.652 4.976 50 0 KJAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)ccc2F)cc1 ZINC000006144265 552545843 /nfs/dbraw/zinc/54/58/43/552545843.db2.gz ZXFNBCXGGTWUHP-LSDHHAIUSA-N -1 0 571.652 4.976 50 0 KJAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)ccc2F)cc1 ZINC000006144266 552545858 /nfs/dbraw/zinc/54/58/58/552545858.db2.gz ZXFNBCXGGTWUHP-CABCVRRESA-N -1 0 571.652 4.976 50 0 KJAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)ccc2F)cc1 ZINC000006144267 552545852 /nfs/dbraw/zinc/54/58/52/552545852.db2.gz ZXFNBCXGGTWUHP-GJZGRUSLSA-N -1 0 571.652 4.976 50 0 KJAARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c3cccs3)cc1)CCCC2 ZINC000006144278 552546086 /nfs/dbraw/zinc/54/60/86/552546086.db2.gz UTOYBABEONHABT-OAHLLOKOSA-N -1 0 562.691 4.850 50 0 KJAARM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c3cccs3)cc1)CCCC2 ZINC000006144279 552546133 /nfs/dbraw/zinc/54/61/33/552546133.db2.gz UTOYBABEONHABT-HNNXBMFYSA-N -1 0 562.691 4.850 50 0 KJAARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)c1ccc(Br)cc1 ZINC000006144301 552546089 /nfs/dbraw/zinc/54/60/89/552546089.db2.gz PZALUMHWUSVXCP-AWEZNQCLSA-N -1 0 506.349 4.817 50 0 KJAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)c1ccc(Br)cc1 ZINC000006144302 552546127 /nfs/dbraw/zinc/54/61/27/552546127.db2.gz PZALUMHWUSVXCP-CQSZACIVSA-N -1 0 506.349 4.817 50 0 KJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000006144344 552546140 /nfs/dbraw/zinc/54/61/40/552546140.db2.gz KONFUMQZXXKPKV-SFHVURJKSA-N -1 0 587.492 4.779 50 0 KJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000006144345 552546065 /nfs/dbraw/zinc/54/60/65/552546065.db2.gz KONFUMQZXXKPKV-GOSISDBHSA-N -1 0 587.492 4.779 50 0 KJAARM CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)C[C@H](C)CC2 ZINC000006144436 552546407 /nfs/dbraw/zinc/54/64/07/552546407.db2.gz QCUKBPDKJTYNMM-OAHLLOKOSA-N -1 0 562.691 4.707 50 0 KJAARM CCOC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)C[C@@H](C)CC2 ZINC000006144438 552546376 /nfs/dbraw/zinc/54/63/76/552546376.db2.gz QCUKBPDKJTYNMM-HNNXBMFYSA-N -1 0 562.691 4.707 50 0 KJAARM COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000006144679 552546996 /nfs/dbraw/zinc/54/69/96/552546996.db2.gz ODODEPSXWUDVTG-CQSZACIVSA-N -1 0 553.420 4.954 50 0 KJAARM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000006144681 552547073 /nfs/dbraw/zinc/54/70/73/552547073.db2.gz ODODEPSXWUDVTG-AWEZNQCLSA-N -1 0 553.420 4.954 50 0 KJAARM CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006146085 552547655 /nfs/dbraw/zinc/54/76/55/552547655.db2.gz SIXSKRHITMAMTP-UHFFFAOYSA-N -1 0 503.527 4.626 50 0 KJAARM CCOC(=O)c1c2c(sc1Nc1nc3ccccc3nc1[N-]S(=O)(=O)c1cccs1)CCC2 ZINC000006146095 552547677 /nfs/dbraw/zinc/54/76/77/552547677.db2.gz RHAIOKLUKOTWOG-UHFFFAOYSA-N -1 0 500.627 4.963 50 0 KJAARM CCOC(=O)c1sc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1C ZINC000006146147 552547730 /nfs/dbraw/zinc/54/77/30/552547730.db2.gz JETQSTYTBRMTPQ-UHFFFAOYSA-N -1 0 501.630 4.915 50 0 KJAARM CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)CCCC2 ZINC000006146150 552547948 /nfs/dbraw/zinc/54/79/48/552547948.db2.gz ATKWVUDINXSTBG-UHFFFAOYSA-N -1 0 502.589 4.996 50 0 KJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 ZINC000006146304 552548047 /nfs/dbraw/zinc/54/80/47/552548047.db2.gz FYVQNXGYRGCHTK-UHFFFAOYSA-N -1 0 552.447 4.915 50 0 KJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1C ZINC000006146584 552548246 /nfs/dbraw/zinc/54/82/46/552548246.db2.gz RTRFPLHRDISZLI-UHFFFAOYSA-N -1 0 541.695 4.758 50 0 KJAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Br)c(C)c2)cc1OC ZINC000006146603 552548313 /nfs/dbraw/zinc/54/83/13/552548313.db2.gz MLJNCCJCVDKLRH-UHFFFAOYSA-N -1 0 505.390 4.828 50 0 KJAARM Cc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1Br ZINC000006146606 552548224 /nfs/dbraw/zinc/54/82/24/552548224.db2.gz 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50 0 KJAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000006189920 552563306 /nfs/dbraw/zinc/56/33/06/552563306.db2.gz WNPAANVQNJZJIP-UHFFFAOYSA-N -1 0 508.402 4.896 50 0 KJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc32)c1 ZINC000006229281 552571896 /nfs/dbraw/zinc/57/18/96/552571896.db2.gz VIWXKMRVBPBXCX-UHFFFAOYSA-N -1 0 554.621 4.678 50 0 KJAARM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)C2=O)cc1C ZINC000006242642 552573306 /nfs/dbraw/zinc/57/33/06/552573306.db2.gz ZQCBWVJVVANREM-UQQQWYQISA-N -1 0 525.590 4.534 50 0 KJAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000006268714 552575748 /nfs/dbraw/zinc/57/57/48/552575748.db2.gz JWGFACBDPNYLEU-UHFFFAOYSA-N -1 0 547.964 4.783 50 0 KJAARM CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)C2=O)cc1 ZINC000006270325 552575827 /nfs/dbraw/zinc/57/58/27/552575827.db2.gz JZGLIAADMFKJSO-OVVQPSECSA-N -1 0 569.643 4.933 50 0 KJAARM 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000008451445 553061111 /nfs/dbraw/zinc/06/11/11/553061111.db2.gz YJNYGSOTJMFOTR-SUAMDDGLSA-N -1 0 623.083 4.817 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000008451446 553061155 /nfs/dbraw/zinc/06/11/55/553061155.db2.gz YJNYGSOTJMFOTR-MFCBUNOESA-N -1 0 623.083 4.817 50 0 KJAARM CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)[O-])SC1=Nc1ccc(OC)cc1 ZINC000008451901 553062233 /nfs/dbraw/zinc/06/22/33/553062233.db2.gz JYWHWHFNFNJHIS-PNVGRYOSSA-N -1 0 505.390 4.935 50 0 KJAARM CCCN1C(=O)/C(=C\c2cc(I)c(OCC(=O)[O-])c(OC)c2)SC1=Nc1ccccc1 ZINC000008452007 553062634 /nfs/dbraw/zinc/06/26/34/553062634.db2.gz NCBGVDNIIHQXHH-RFWMEDTCSA-N -1 0 552.390 4.777 50 0 KJAARM CCOc1cc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SCC)nc3O2)ccc1OCC(=O)[O-] ZINC000008452824 553064694 /nfs/dbraw/zinc/06/46/94/553064694.db2.gz BYNODBZGZDCRHK-HXUWFJFHSA-N -1 0 533.404 4.778 50 0 KJAARM CCOc1cc([C@H]2Nc3ccc(Br)cc3-c3nnc(SCC)nc3O2)ccc1OCC(=O)[O-] ZINC000008452826 553064682 /nfs/dbraw/zinc/06/46/82/553064682.db2.gz BYNODBZGZDCRHK-FQEVSTJZSA-N -1 0 533.404 4.778 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Br)c4)c(=O)c2=3)cc1 ZINC000008454936 553070272 /nfs/dbraw/zinc/07/02/72/553070272.db2.gz LPNBEHPHBADNRB-AYRHNUGRSA-N -1 0 621.879 4.782 50 0 KJAARM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Br)c4)c(=O)c2=3)cc1 ZINC000008454937 553070270 /nfs/dbraw/zinc/07/02/70/553070270.db2.gz LPNBEHPHBADNRB-DMTNHVFBSA-N -1 0 621.879 4.782 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000008454939 553070264 /nfs/dbraw/zinc/07/02/64/553070264.db2.gz UVJQZPSMGXPSJC-RNXOBYDBSA-N -1 0 577.428 4.673 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Br)c4)c(=O)c2=3)cc1 ZINC000008454943 553070281 /nfs/dbraw/zinc/07/02/81/553070281.db2.gz NVFYLAFUQXQLPM-RZDMPUFOSA-N -1 0 615.488 4.746 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4c(C)cccc4C)c(=O)c2=3)cc1 ZINC000008454964 553070246 /nfs/dbraw/zinc/07/02/46/553070246.db2.gz QVDUJTSXJRFCSX-BTIIJPOSSA-N -1 0 564.646 4.600 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000008454971 553070249 /nfs/dbraw/zinc/07/02/49/553070249.db2.gz XACVTFMMJJSWFJ-RZDMPUFOSA-N -1 0 571.037 4.637 50 0 KJAARM COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000008454972 553070239 /nfs/dbraw/zinc/07/02/39/553070239.db2.gz XACVTFMMJJSWFJ-FPNNDXFKSA-N -1 0 571.037 4.637 50 0 KJAARM COc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)Cn2[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c2=4)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000008454987 553070393 /nfs/dbraw/zinc/07/03/93/553070393.db2.gz RGNHPDLKVCRLRF-KALJEGAGSA-N -1 0 622.657 4.959 50 0 KJAARM COc1ccc(C=C2CCC[C@H]3C2=NN(C(=O)Cn2[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c2=4)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000008454988 553070367 /nfs/dbraw/zinc/07/03/67/553070367.db2.gz RGNHPDLKVCRLRF-UGPJASHDSA-N -1 0 622.657 4.959 50 0 KJAARM COc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)Cn2[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c2=4)[C@H]3c2ccc(OC)cc2)cc1 ZINC000008454989 553070422 /nfs/dbraw/zinc/07/04/22/553070422.db2.gz RGNHPDLKVCRLRF-QFOVDCTCSA-N -1 0 622.657 4.959 50 0 KJAARM COc1ccc(C=C2CCC[C@H]3C2=NN(C(=O)Cn2[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c2=4)[C@H]3c2ccc(OC)cc2)cc1 ZINC000008454990 553070356 /nfs/dbraw/zinc/07/03/56/553070356.db2.gz RGNHPDLKVCRLRF-VEZKJUDQSA-N -1 0 622.657 4.959 50 0 KJAARM COc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)Cn2[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c2=4)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000008455013 553070742 /nfs/dbraw/zinc/07/07/42/553070742.db2.gz XYCYZVLQYDBKSS-KFYWFBCGSA-N -1 0 604.667 4.820 50 0 KJAARM COc1ccc(C=C2CCC[C@H]3C2=NN(C(=O)Cn2[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c2=4)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000008455014 553070721 /nfs/dbraw/zinc/07/07/21/553070721.db2.gz XYCYZVLQYDBKSS-KNILNXQLSA-N -1 0 604.667 4.820 50 0 KJAARM COc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)Cn2[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c2=4)[C@H]3c2ccc(OC)cc2)cc1 ZINC000008455015 553070736 /nfs/dbraw/zinc/07/07/36/553070736.db2.gz XYCYZVLQYDBKSS-IECIVNSHSA-N -1 0 604.667 4.820 50 0 KJAARM COc1ccc(C=C2CCC[C@H]3C2=NN(C(=O)Cn2[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c2=4)[C@H]3c2ccc(OC)cc2)cc1 ZINC000008455016 553070734 /nfs/dbraw/zinc/07/07/34/553070734.db2.gz XYCYZVLQYDBKSS-NQUDFESMSA-N -1 0 604.667 4.820 50 0 KJAARM COc1ccc([C@@H]2CC(c3cccc4ccccc43)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1 ZINC000008455500 553072856 /nfs/dbraw/zinc/07/28/56/553072856.db2.gz NRKYFGFNINKMPH-LOAGWBBBSA-N -1 0 576.588 4.659 50 0 KJAARM COc1ccc([C@H]2CC(c3cccc4ccccc43)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1 ZINC000008455501 553072813 /nfs/dbraw/zinc/07/28/13/553072813.db2.gz NRKYFGFNINKMPH-GGCFSWKVSA-N -1 0 576.588 4.659 50 0 KJAARM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)sc2=N1 ZINC000008492216 553075652 /nfs/dbraw/zinc/07/56/52/553075652.db2.gz ZKTCOKPYYOKBKS-OXWVMCNISA-N -1 0 561.619 4.832 50 0 KJAARM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)sc2=N1 ZINC000008492222 553075735 /nfs/dbraw/zinc/07/57/35/553075735.db2.gz ZKTCOKPYYOKBKS-FHMSYZJOSA-N -1 0 561.619 4.832 50 0 KJAARM COc1cc(Cl)c(C)cc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000008604412 553097440 /nfs/dbraw/zinc/09/74/40/553097440.db2.gz ZWERUJUANXJTRV-UHFFFAOYSA-N -1 0 536.075 4.601 50 0 aggregator KJAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cscc3C(=O)OC)cc2)c(C(F)(F)F)s1 ZINC000008637236 553106248 /nfs/dbraw/zinc/10/62/48/553106248.db2.gz SRLXIVWWJVBXIW-UHFFFAOYSA-N -1 0 505.517 4.869 50 0 KJAARM COC(=O)c1sccc1NC(=O)CSc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000008654404 553108251 /nfs/dbraw/zinc/10/82/51/553108251.db2.gz NUTCULFNOONNRU-UHFFFAOYSA-N -1 0 541.470 4.829 50 0 aggregator KJAARM O=C(CSc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(C(F)(F)F)s1 ZINC000008667138 553109767 /nfs/dbraw/zinc/10/97/67/553109767.db2.gz SZDJWDFFPBIUQC-UHFFFAOYSA-N -1 0 508.956 4.742 50 0 KJAARM O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008684400 553113446 /nfs/dbraw/zinc/11/34/46/553113446.db2.gz GUGKIDSKXKWITI-UHFFFAOYSA-N -1 0 552.049 4.707 50 0 aggregator KJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)ccc2OC)cc1 ZINC000008686898 553116023 /nfs/dbraw/zinc/11/60/23/553116023.db2.gz XKEAEPFHGBHIRR-UHFFFAOYSA-N -1 0 537.594 4.941 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000008686948 553116167 /nfs/dbraw/zinc/11/61/67/553116167.db2.gz BCRPNNJAYXXQIP-UHFFFAOYSA-N -1 0 557.694 4.621 50 0 KJAARM O=C(NCc1ccccc1)c1cc(C(=O)c2cc(Br)ccc2[O-])cn(Cc2ccccc2)c1=O ZINC000008693930 553118800 /nfs/dbraw/zinc/11/88/00/553118800.db2.gz DZZXGOZBESRZKI-UHFFFAOYSA-N -1 0 517.379 4.526 50 0 KJAARM COc1ccc(CCNC(=O)c2cc(C(=O)c3cc(Cl)ccc3[O-])cn(CCc3ccc(OC)cc3)c2=O)cc1 ZINC000008693936 553118867 /nfs/dbraw/zinc/11/88/67/553118867.db2.gz VOSDCXIGZXJJMU-UHFFFAOYSA-N -1 0 561.034 4.671 50 0 aggregator KJAARM COc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)[N-]c3cc(Cl)c(OC)cc3OC)c2)cc1 ZINC000008694154 553119181 /nfs/dbraw/zinc/11/91/81/553119181.db2.gz LOIPDGFJRKDXSJ-HNNXBMFYSA-N -1 0 533.986 4.595 50 0 aggregator KJAARM COc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)[N-]c3cc(Cl)c(OC)cc3OC)c2)cc1 ZINC000008694155 553119084 /nfs/dbraw/zinc/11/90/84/553119084.db2.gz LOIPDGFJRKDXSJ-OAHLLOKOSA-N -1 0 533.986 4.595 50 0 aggregator KJAARM CCCCOC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)(C(F)(F)F)C(F)(F)F ZINC000008702602 553125807 /nfs/dbraw/zinc/12/58/07/553125807.db2.gz JIKMLWGLTAERQR-UHFFFAOYSA-N -1 0 532.463 4.851 50 0 KJAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000008720982 553129532 /nfs/dbraw/zinc/12/95/32/553129532.db2.gz GOMWXMHYXCEXEE-PNRNSSKJSA-N -1 0 519.395 4.588 50 0 KJAARM O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc2)c1 ZINC000008722253 553129967 /nfs/dbraw/zinc/12/99/67/553129967.db2.gz SRMNPXPUUDGYSX-LPYMAVHISA-N -1 0 506.511 4.778 50 0 KJAARM CCCCOc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000008722295 553129928 /nfs/dbraw/zinc/12/99/28/553129928.db2.gz IYUDEHQLTQPSOA-OEAKJJBVSA-N -1 0 502.523 4.702 50 0 KJAARM COc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccnc4)=NN32)c(C(=O)[O-])c1OC ZINC000008738760 553131051 /nfs/dbraw/zinc/13/10/51/553131051.db2.gz RAUMHIVJGZWINU-FDDCHVKYSA-N -1 0 510.344 4.802 50 0 KJAARM COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccnc4)=NN32)c(C(=O)[O-])c1OC ZINC000008738761 553131048 /nfs/dbraw/zinc/13/10/48/553131048.db2.gz RAUMHIVJGZWINU-MBSDFSHPSA-N -1 0 510.344 4.802 50 0 KJAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2oc1=O ZINC000008738908 553131014 /nfs/dbraw/zinc/13/10/14/553131014.db2.gz FIQIWURNDMHKGD-RUZDIDTESA-N -1 0 504.583 4.896 50 0 KJAARM CCOc1ccc(CCNC(=O)CC2(CC3=Nc4ccccc4S(=O)(=O)[N-]3)CCCC2)cc1OCC ZINC000008757067 553136481 /nfs/dbraw/zinc/13/64/81/553136481.db2.gz WUGZMKSBZNNBSO-UHFFFAOYSA-N -1 0 513.660 4.505 50 0 KJAARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=C(NCc1ccccc1Cl)Nc1ccccc1 ZINC000008757673 553136768 /nfs/dbraw/zinc/13/67/68/553136768.db2.gz LFXGFNDICJCIQS-MRCUWXFGSA-N -1 0 525.790 4.799 50 0 KJAARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=C(NCc1ccccc1Br)Nc1ccccc1 ZINC000008757681 553136861 /nfs/dbraw/zinc/13/68/61/553136861.db2.gz YLXHNAVNNAKXGX-MRCUWXFGSA-N -1 0 525.790 4.799 50 0 KJAARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=C(NCc1ccccc1Br)Nc1ccccc1 ZINC000008757701 553136848 /nfs/dbraw/zinc/13/68/48/553136848.db2.gz PZCBFHSXBYODGL-MRCUWXFGSA-N -1 0 570.241 4.908 50 0 KJAARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=C(NCc1ccccc1)Nc1ccccc1Cl ZINC000008757712 553136855 /nfs/dbraw/zinc/13/68/55/553136855.db2.gz BZCGWQVNAVVLBS-MRCUWXFGSA-N -1 0 525.790 4.799 50 0 KJAARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=C(NCc1cccc(F)c1)Nc1ccccc1Cl ZINC000008757713 553136763 /nfs/dbraw/zinc/13/67/63/553136763.db2.gz WAUBZXPQMYVBQW-MRCUWXFGSA-N -1 0 543.780 4.938 50 0 KJAARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=C(NCc1ccc(F)cc1)Nc1ccccc1Cl ZINC000008757718 553136822 /nfs/dbraw/zinc/13/68/22/553136822.db2.gz GHGXSAUWUSGOJD-MRCUWXFGSA-N -1 0 543.780 4.938 50 0 KJAARM COc1ccccc1CNC(Nc1ccccc1Cl)=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000008757721 553136781 /nfs/dbraw/zinc/13/67/81/553136781.db2.gz OLAYHGRJFUIYOU-DQRAZIAOSA-N -1 0 555.816 4.807 50 0 KJAARM CCOc1ccc(/C=C(/NC(=O)c2ccc(OC)cc2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000008766838 553139154 /nfs/dbraw/zinc/13/91/54/553139154.db2.gz GKTNTFHEQOGNTP-XQNSMLJCSA-N -1 0 504.539 4.600 50 0 biogenic KJAARM CSCC[C@@H](NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000008789076 553145353 /nfs/dbraw/zinc/14/53/53/553145353.db2.gz VBFWCPMYEUWENW-UNSDHXNOSA-N -1 0 521.720 4.613 50 0 biogenic KJAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)[O-])c(C)c4cc32)cc1 ZINC000008790013 553146123 /nfs/dbraw/zinc/14/61/23/553146123.db2.gz WBDBTPLXVVBTBO-VWLOTQADSA-N -1 0 511.530 4.883 50 0 biogenic KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@H]1C(=O)[O-])occ3-c1ccc(Br)cc1 ZINC000008790035 553146182 /nfs/dbraw/zinc/14/61/82/553146182.db2.gz RSODRHBSYXEECJ-FQEVSTJZSA-N -1 0 510.340 4.895 50 0 biogenic KJAARM COc1ccc2cc([C@@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2c1 ZINC000008817645 553152902 /nfs/dbraw/zinc/15/29/02/553152902.db2.gz WUWMIAIQOJWILI-NRFANRHFSA-N -1 0 511.962 4.847 50 0 KJAARM COc1ccc2cc([C@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2c1 ZINC000008817646 553152831 /nfs/dbraw/zinc/15/28/31/553152831.db2.gz WUWMIAIQOJWILI-OAQYLSRUSA-N -1 0 511.962 4.847 50 0 KJAARM O=C([N-]S(=O)(=O)Oc1ccc(Cl)cc1Cl)Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000008869272 553171059 /nfs/dbraw/zinc/17/10/59/553171059.db2.gz PDWKMUOJQHYHAM-UHFFFAOYSA-N -1 0 507.277 4.915 50 0 KJAARM O=C([N-]S(=O)(=O)Oc1cc(Cl)ccc1Cl)Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000008869359 553171053 /nfs/dbraw/zinc/17/10/53/553171053.db2.gz CHDORRFICGCAJV-UHFFFAOYSA-N -1 0 507.277 4.915 50 0 KJAARM CCCCNC(=O)c1c2nc3ccccc3nc2n(Cc2ccco2)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000008871101 553171692 /nfs/dbraw/zinc/17/16/92/553171692.db2.gz HUDLOCBOPLYHOA-UHFFFAOYSA-N -1 0 517.611 4.865 50 0 KJAARM COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000008913910 553185561 /nfs/dbraw/zinc/18/55/61/553185561.db2.gz APQOPXABMUTWNL-NRFANRHFSA-N -1 0 511.962 4.847 50 0 KJAARM COc1ccc2nc(Cl)c([C@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(=O)CCCC(=O)[O-])cc2c1 ZINC000008913911 553185577 /nfs/dbraw/zinc/18/55/77/553185577.db2.gz APQOPXABMUTWNL-OAQYLSRUSA-N -1 0 511.962 4.847 50 0 KJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)n1 ZINC000008916560 553186814 /nfs/dbraw/zinc/18/68/14/553186814.db2.gz CLSFBQDVNAHVPQ-UHFFFAOYSA-N -1 0 509.415 4.999 50 0 KJAARM CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)[O-])CC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000009033176 553201558 /nfs/dbraw/zinc/20/15/58/553201558.db2.gz ZYADXQOYYTYVCC-RUFZYYLZSA-N -1 0 542.717 4.649 50 0 biogenic KJAARM COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccn4)=NN32)c(C(=O)[O-])c1OC ZINC000009085880 553208126 /nfs/dbraw/zinc/20/81/26/553208126.db2.gz RJKCDESIORYZEC-MBSDFSHPSA-N -1 0 510.344 4.802 50 0 KJAARM Cc1c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000009111403 553210587 /nfs/dbraw/zinc/21/05/87/553210587.db2.gz MDBCXZZVFCUBIM-UHFFFAOYSA-N -1 0 521.002 4.625 50 0 KJAARM Cc1nc2ccc(Nc3nc4ccccc4nc3[N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1 ZINC000009111559 553210583 /nfs/dbraw/zinc/21/05/83/553210583.db2.gz MBIZYPYBQOVFIS-UHFFFAOYSA-N -1 0 505.581 4.864 50 0 KJAARM Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000009260860 553228151 /nfs/dbraw/zinc/22/81/51/553228151.db2.gz INFFIAWKHWOFEN-OEAKJJBVSA-N -1 0 502.548 4.947 50 0 KJAARM C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ccsc2c(=O)n1CC1CCC(C(=O)[O-])CC1 ZINC000009274359 553232464 /nfs/dbraw/zinc/23/24/64/553232464.db2.gz YUQFRUHCDYBSIX-KKXNLOMOSA-N -1 0 513.685 4.579 50 0 KJAARM C[C@H](CCc1ccccc1)NC(=O)CSc1nc2ccsc2c(=O)n1CC1CCC(C(=O)[O-])CC1 ZINC000009274362 553232455 /nfs/dbraw/zinc/23/24/55/553232455.db2.gz YUQFRUHCDYBSIX-QHGAOEGBSA-N -1 0 513.685 4.579 50 0 KJAARM CCOc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)sc2c1 ZINC000009282039 553233865 /nfs/dbraw/zinc/23/38/65/553233865.db2.gz LMBVKAJCQGRXTI-UHFFFAOYSA-N -1 0 500.627 4.622 50 0 KJAARM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000009291436 553234643 /nfs/dbraw/zinc/23/46/43/553234643.db2.gz MFMQLAJBLUGMMX-NXCFDTQHSA-N -1 0 516.550 4.623 50 0 KJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(c3nc4c(ccc(C)c4C)s3)CC2)cc1 ZINC000009292579 553235130 /nfs/dbraw/zinc/23/51/30/553235130.db2.gz WIVZDZHYKOAIFX-UHFFFAOYSA-N -1 0 520.680 4.985 50 0 KJAARM CCc1ccc2nc(N3CCN(C(=O)c4ccccc4[N-]S(=O)(=O)c4ccc(C)cc4)CC3)sc2c1 ZINC000009298593 553236014 /nfs/dbraw/zinc/23/60/14/553236014.db2.gz SLJZBTZSLUQZQY-UHFFFAOYSA-N -1 0 520.680 4.930 50 0 KJAARM CCCCNC(=O)c1c2nc3ccccc3nc2n(Cc2ccco2)c1[N-]S(=O)(=O)c1ccccc1 ZINC000009308876 553237709 /nfs/dbraw/zinc/23/77/09/553237709.db2.gz QDHPBVZDMIOSDC-UHFFFAOYSA-N -1 0 503.584 4.557 50 0 KJAARM CCCCCC[C@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000009309979 553238553 /nfs/dbraw/zinc/23/85/53/553238553.db2.gz LWWFXOOUEQKWFQ-GDUPUGJQSA-N -1 0 505.384 4.899 50 0 KJAARM CCCCCC[C@@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000009309980 553238546 /nfs/dbraw/zinc/23/85/46/553238546.db2.gz LWWFXOOUEQKWFQ-LNKKFFRNSA-N -1 0 505.384 4.899 50 0 KJAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)cc1 ZINC000009311670 553239701 /nfs/dbraw/zinc/23/97/01/553239701.db2.gz HQXATXXWLVYWGT-UCQKPKSFSA-N -1 0 502.548 4.947 50 0 KJAARM O=C(CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1)Nc1nc2ccccc2s1 ZINC000009335009 553243519 /nfs/dbraw/zinc/24/35/19/553243519.db2.gz FNSCGIHSOAXEFS-UHFFFAOYSA-N -1 0 500.605 4.869 50 0 KJAARM COc1ccccc1-n1c(=O)c(Cc2ccccc2)c([O-])nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000009348801 553244784 /nfs/dbraw/zinc/24/47/84/553244784.db2.gz FBMPTRAEPRLWKA-UHFFFAOYSA-N -1 0 507.999 4.922 50 0 KJAARM O=C(Nc1ccccc1)[C@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009380248 553251703 /nfs/dbraw/zinc/25/17/03/553251703.db2.gz KXWUYCXYCYLHPR-KUYWTNKVSA-N -1 0 501.542 4.892 50 0 KJAARM O=C(Nc1ccccc1)[C@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000009380249 553251682 /nfs/dbraw/zinc/25/16/82/553251682.db2.gz KXWUYCXYCYLHPR-VFJZKXQJSA-N -1 0 501.542 4.892 50 0 KJAARM COC(=O)c1ccc(-c2csc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000009404928 553256043 /nfs/dbraw/zinc/25/60/43/553256043.db2.gz ORFDLWSWRRQVQG-UHFFFAOYSA-N -1 0 507.593 4.958 50 0 KJAARM COc1cc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)ccc1O ZINC000009409775 553257176 /nfs/dbraw/zinc/25/71/76/553257176.db2.gz JHDLIQMEODEINT-IBGZPJMESA-N -1 0 520.929 4.584 50 0 KJAARM COc1cc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)ccc1O ZINC000009409776 553257198 /nfs/dbraw/zinc/25/71/98/553257198.db2.gz JHDLIQMEODEINT-LJQANCHMSA-N -1 0 520.929 4.584 50 0 KJAARM CCOc1ccc2cc([C@@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000009461195 553267405 /nfs/dbraw/zinc/26/74/05/553267405.db2.gz MNEYXPCHLNJKMR-NRFANRHFSA-N -1 0 511.962 4.847 50 0 KJAARM CCOc1ccc2cc([C@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000009461196 553267345 /nfs/dbraw/zinc/26/73/45/553267345.db2.gz MNEYXPCHLNJKMR-OAQYLSRUSA-N -1 0 511.962 4.847 50 0 KJAARM CCOC(=O)C1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000009487048 553272917 /nfs/dbraw/zinc/27/29/17/553272917.db2.gz PAQVXQGDRSWFRU-UHFFFAOYSA-N -1 0 509.415 4.517 50 0 KJAARM CCCOc1ccc(CNC(=O)CC(C)(C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1OCCC ZINC000009529613 553277141 /nfs/dbraw/zinc/27/71/41/553277141.db2.gz YGNAQZYFIPTUAZ-UHFFFAOYSA-N -1 0 501.649 4.709 50 0 KJAARM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(Br)ccc3OCC)cc2)n1 ZINC000009572469 553281270 /nfs/dbraw/zinc/28/12/70/553281270.db2.gz VIVYMFGMZACPQM-UHFFFAOYSA-N -1 0 506.426 4.922 50 0 KJAARM Cc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc(C(=O)[O-])cc4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000009597279 553283764 /nfs/dbraw/zinc/28/37/64/553283764.db2.gz FOKPEFDCZSHNFV-ZEQRLZLVSA-N -1 0 512.591 4.871 50 0 KJAARM Cc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc(C(=O)[O-])cc4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000009597280 553283710 /nfs/dbraw/zinc/28/37/10/553283710.db2.gz FOKPEFDCZSHNFV-RPWUZVMVSA-N -1 0 512.591 4.871 50 0 KJAARM Cc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc(C(=O)[O-])cc4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000009597281 553283784 /nfs/dbraw/zinc/28/37/84/553283784.db2.gz FOKPEFDCZSHNFV-BJKOFHAPSA-N -1 0 512.591 4.871 50 0 KJAARM Cc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc(C(=O)[O-])cc4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000009597282 553283795 /nfs/dbraw/zinc/28/37/95/553283795.db2.gz FOKPEFDCZSHNFV-DNQXCXABSA-N -1 0 512.591 4.871 50 0 KJAARM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000009601625 553286829 /nfs/dbraw/zinc/28/68/29/553286829.db2.gz ZWDIXFZDFWGTOM-UHFFFAOYSA-N -1 0 504.355 4.800 50 0 KJAARM COc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(F)c(C)c4)cs3)cc2)nc(OC)n1 ZINC000009601667 553286791 /nfs/dbraw/zinc/28/67/91/553286791.db2.gz VJKLOGKIZJAPEH-UHFFFAOYSA-N -1 0 501.565 4.609 50 0 KJAARM COc1cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)ccc1OCC(=O)[O-] ZINC000009601806 553287035 /nfs/dbraw/zinc/28/70/35/553287035.db2.gz BCJQUNKPDHIJSG-XMMPIXPASA-N -1 0 502.552 4.806 50 0 KJAARM COc1cc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)ccc1OCC(=O)[O-] ZINC000009601807 553287045 /nfs/dbraw/zinc/28/70/45/553287045.db2.gz BCJQUNKPDHIJSG-DEOSSOPVSA-N -1 0 502.552 4.806 50 0 KJAARM CCCSc1nnc2c(n1)O[C@@H](c1ccccc1OCC(=O)[O-])Nc1ccc(Br)cc1-2 ZINC000009601867 553287061 /nfs/dbraw/zinc/28/70/61/553287061.db2.gz GRRZTJBACACOPB-IBGZPJMESA-N -1 0 503.378 4.770 50 0 KJAARM CCCSc1nnc2c(n1)O[C@H](c1ccccc1OCC(=O)[O-])Nc1ccc(Br)cc1-2 ZINC000009601868 553287005 /nfs/dbraw/zinc/28/70/05/553287005.db2.gz GRRZTJBACACOPB-LJQANCHMSA-N -1 0 503.378 4.770 50 0 KJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000009639982 553292874 /nfs/dbraw/zinc/29/28/74/553292874.db2.gz LQZKWHKECSKSDT-UHFFFAOYSA-N -1 0 507.593 4.943 50 0 KJAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1 ZINC000009762169 553303064 /nfs/dbraw/zinc/30/30/64/553303064.db2.gz FCDVJNDWLLZZIJ-UXHICEINSA-N -1 0 523.431 4.599 50 0 KJAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1 ZINC000009762170 553302993 /nfs/dbraw/zinc/30/29/93/553302993.db2.gz FCDVJNDWLLZZIJ-PMACEKPBSA-N -1 0 523.431 4.599 50 0 KJAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1 ZINC000009762172 553303048 /nfs/dbraw/zinc/30/30/48/553303048.db2.gz FCDVJNDWLLZZIJ-VQTJNVASSA-N -1 0 523.431 4.599 50 0 KJAARM CCCCSC1=N[C@H](c2cccc(Cl)c2)C2(C(=O)[N-]C(=O)NC2=O)[C@H](c2cccc(Cl)c2)N1 ZINC000009942158 553319699 /nfs/dbraw/zinc/31/96/99/553319699.db2.gz ZIEAAVFYSWMQIB-HDICACEKSA-N -1 0 505.427 4.621 50 0 KJAARM CCCCSC1=N[C@@H](c2cccc(Cl)c2)C2(C(=O)[N-]C(=O)NC2=O)[C@H](c2cccc(Cl)c2)N1 ZINC000009942161 553319723 /nfs/dbraw/zinc/31/97/23/553319723.db2.gz ZIEAAVFYSWMQIB-ROUUACIJSA-N -1 0 505.427 4.621 50 0 KJAARM CCCCSC1=N[C@H](c2cccc(Cl)c2)C2(C(=O)[N-]C(=O)NC2=O)[C@@H](c2cccc(Cl)c2)N1 ZINC000009942163 553319732 /nfs/dbraw/zinc/31/97/32/553319732.db2.gz ZIEAAVFYSWMQIB-QZTJIDSGSA-N -1 0 505.427 4.621 50 0 KJAARM COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(S(=O)(=O)[N-]c5nccs5)cc4)sc3n2)cc1 ZINC000011758020 553341727 /nfs/dbraw/zinc/34/17/27/553341727.db2.gz WIGUBZXNXFGYJI-UHFFFAOYSA-N -1 0 525.637 4.889 50 0 KJAARM O=C1c2cccc3cccc(c32)C(=O)N1CCCCCc1nnc(Nc2ccc(S(=O)(=O)[O-])cc2)s1 ZINC000011852866 553346055 /nfs/dbraw/zinc/34/60/55/553346055.db2.gz DLBCVRDCBFNEAI-UHFFFAOYSA-N -1 0 522.608 4.691 50 0 KJAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N[C@H](Cc5ccc(O)cc5)C(=O)[O-])c(C)c4cc32)cc1 ZINC000011865572 553346656 /nfs/dbraw/zinc/34/66/56/553346656.db2.gz WBDBTPLXVVBTBO-RUZDIDTESA-N -1 0 511.530 4.883 50 0 KJAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000011865585 553346618 /nfs/dbraw/zinc/34/66/18/553346618.db2.gz HJFXGFFHWITKOZ-XMMPIXPASA-N -1 0 512.562 4.871 50 0 KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-])occ3-c1ccc(F)cc1 ZINC000011865589 553346631 /nfs/dbraw/zinc/34/66/31/553346631.db2.gz LDIUZAWBGGMIGB-XMMPIXPASA-N -1 0 515.493 4.714 50 0 KJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])oc1c3CCCC1 ZINC000011865670 553346676 /nfs/dbraw/zinc/34/66/76/553346676.db2.gz LKXPEEWATMCNST-XMMPIXPASA-N -1 0 512.562 4.952 50 0 KJAARM CCCOC(=O)c1ccc(Oc2coc3cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc(=O)c-3c2[O-])cc1 ZINC000011865731 553346800 /nfs/dbraw/zinc/34/68/00/553346800.db2.gz XCPSYYGVXBFPTC-HNNXBMFYSA-N -1 0 527.526 4.676 50 0 biogenic KJAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2oc1=O ZINC000011866810 553347000 /nfs/dbraw/zinc/34/70/00/553347000.db2.gz FIQIWURNDMHKGD-VWLOTQADSA-N -1 0 504.583 4.896 50 0 biogenic KJAARM COc1ccc(-c2cn3c(C(=O)Nc4ccc(S(=O)(=O)[N-]c5nccs5)cc4)csc3n2)cc1 ZINC000011902251 553348551 /nfs/dbraw/zinc/34/85/51/553348551.db2.gz ZKINKAJBRNWNLS-UHFFFAOYSA-N -1 0 511.610 4.581 50 0 KJAARM COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)c1 ZINC000012112473 553351458 /nfs/dbraw/zinc/35/14/58/553351458.db2.gz APMSNWIFZJASPC-UHFFFAOYSA-N -1 0 509.609 4.658 50 0 KJAARM COc1cc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)cc(OC)c1 ZINC000012112490 553351503 /nfs/dbraw/zinc/35/15/03/553351503.db2.gz QLVLMSUYTBLRDZ-UHFFFAOYSA-N -1 0 509.609 4.658 50 0 KJAARM Cc1ccc2c(c1)N(C(=O)CSc1nc(-c3ccccc3)[n-]c1S(=O)(=O)c1ccccc1)CCO2 ZINC000012112494 553351462 /nfs/dbraw/zinc/35/14/62/553351462.db2.gz SVFZCFXXFRYEOA-UHFFFAOYSA-N -1 0 505.621 4.736 50 0 KJAARM COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(C)cc3)[n-]c2S(=O)(=O)c2ccccc2)c1 ZINC000012112517 553351454 /nfs/dbraw/zinc/35/14/54/553351454.db2.gz SVBJXOZTQJFXFC-UHFFFAOYSA-N -1 0 523.636 4.966 50 0 KJAARM COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)[n-]c1S(=O)(=O)c1ccccc1 ZINC000012112523 553351480 /nfs/dbraw/zinc/35/14/80/553351480.db2.gz IIHFBMIJFXCIOM-UHFFFAOYSA-N -1 0 521.620 4.735 50 0 KJAARM COc1cc(NC(=O)CSc2nc(-c3ccc(C)cc3)[n-]c2S(=O)(=O)c2ccccc2)cc(OC)c1 ZINC000012112533 553351467 /nfs/dbraw/zinc/35/14/67/553351467.db2.gz HLHKDESQTPQTEL-UHFFFAOYSA-N -1 0 523.636 4.966 50 0 KJAARM COc1cccc(CNC(=O)CSc2nc(-c3ccc(C)cc3)[n-]c2S(=O)(=O)c2ccccc2)c1 ZINC000012252253 553355683 /nfs/dbraw/zinc/35/56/83/553355683.db2.gz WMXQBSPOVGPORJ-UHFFFAOYSA-N -1 0 507.637 4.635 50 0 KJAARM Cc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012252290 553355603 /nfs/dbraw/zinc/35/56/03/553355603.db2.gz DWMSHCWRADERHE-UHFFFAOYSA-N -1 0 507.593 4.677 50 0 KJAARM COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)[n-]c2S(=O)(=O)c2ccccc2)cc1 ZINC000012252341 553355537 /nfs/dbraw/zinc/35/55/37/553355537.db2.gz LHEURVRBGMVYGH-UHFFFAOYSA-N -1 0 521.620 4.735 50 0 KJAARM COc1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000012252404 553355551 /nfs/dbraw/zinc/35/55/51/553355551.db2.gz CFDPYGOPTRDYDW-UHFFFAOYSA-N -1 0 523.636 4.966 50 0 KJAARM COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000012252612 553355643 /nfs/dbraw/zinc/35/56/43/553355643.db2.gz JOOFPONHTIPCTJ-UHFFFAOYSA-N -1 0 523.636 4.966 50 0 KJAARM COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccc(C)cc1 ZINC000012252723 553355562 /nfs/dbraw/zinc/35/55/62/553355562.db2.gz IIDFUVHRPCBBBN-UHFFFAOYSA-N -1 0 521.620 4.735 50 0 KJAARM COc1cc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1 ZINC000012252870 553355588 /nfs/dbraw/zinc/35/55/88/553355588.db2.gz KAYOREMYXRNVJX-UHFFFAOYSA-N -1 0 523.636 4.966 50 0 KJAARM COc1cccc(CNC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000012252909 553355927 /nfs/dbraw/zinc/35/59/27/553355927.db2.gz AUXPZFQRRNYCGR-UHFFFAOYSA-N -1 0 507.637 4.635 50 0 KJAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000012252943 553355919 /nfs/dbraw/zinc/35/59/19/553355919.db2.gz IESNQAPVSLPQES-UHFFFAOYSA-N -1 0 507.593 4.677 50 0 KJAARM COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012252979 553355910 /nfs/dbraw/zinc/35/59/10/553355910.db2.gz QJWATAMPYKDPSX-UHFFFAOYSA-N -1 0 521.620 4.735 50 0 KJAARM CCCOc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c(OCCC)c1 ZINC000012311890 553357928 /nfs/dbraw/zinc/35/79/28/553357928.db2.gz XLMGXJSGPCRJLO-WFXMLNOXSA-N -1 0 502.580 4.595 50 0 KJAARM CCCOc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c(OCCC)c1 ZINC000012311892 553357931 /nfs/dbraw/zinc/35/79/31/553357931.db2.gz XLMGXJSGPCRJLO-BBTUJRGHSA-N -1 0 502.580 4.595 50 0 KJAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(-n3c(=O)c(C(C)C)c(C)n3C)cc2)sc2c1CCCC2 ZINC000012413909 553364667 /nfs/dbraw/zinc/36/46/67/553364667.db2.gz FNSOGMSKDGGSJC-UHFFFAOYSA-N -1 0 517.673 4.526 50 0 KJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COc3ccc(C)cc3OC)ccc2Cl)cc1 ZINC000012487694 553378534 /nfs/dbraw/zinc/37/85/34/553378534.db2.gz SWVHCLFATZAETR-UHFFFAOYSA-N -1 0 504.992 4.874 50 0 KJAARM CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000012498563 553382199 /nfs/dbraw/zinc/38/21/99/553382199.db2.gz BHMKUPYLCBGQBC-UHFFFAOYSA-N -1 0 511.600 4.747 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc3ccccc3c2)ccc1N1CCOCC1 ZINC000012533393 553387369 /nfs/dbraw/zinc/38/73/69/553387369.db2.gz ODDIZQRBJYGBMN-UHFFFAOYSA-N -1 0 517.607 4.738 50 0 KJAARM COc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000012546622 553391638 /nfs/dbraw/zinc/39/16/38/553391638.db2.gz HYRWXKCKKSCIHA-UHFFFAOYSA-N -1 0 520.405 4.658 50 0 KJAARM O=S(=O)([N-]c1ncccn1)c1ccc(NS(=O)(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000012546632 553391543 /nfs/dbraw/zinc/39/15/43/553391543.db2.gz STVWPTYLJNGVHM-UHFFFAOYSA-N -1 0 524.668 4.546 50 0 KJAARM COc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N3CCCC3)c1)oc1ccccc12 ZINC000012546651 553391896 /nfs/dbraw/zinc/39/18/96/553391896.db2.gz ZGXYLPKYUTXEJP-KRWDZBQOSA-N -1 0 522.579 4.563 50 0 KJAARM COc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N3CCCC3)c1)oc1ccccc12 ZINC000012546652 553391879 /nfs/dbraw/zinc/39/18/79/553391879.db2.gz ZGXYLPKYUTXEJP-QGZVFWFLSA-N -1 0 522.579 4.563 50 0 KJAARM CCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000012555358 553393286 /nfs/dbraw/zinc/39/32/86/553393286.db2.gz MPRKVIQEAWQCRH-UHFFFAOYSA-N -1 0 522.421 4.950 50 0 KJAARM COc1cccc([C@@H]2NC(=O)N(Cc3ccccc3)[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1OC ZINC000012558517 553393720 /nfs/dbraw/zinc/39/37/20/553393720.db2.gz KPJUWBVQVFMEQP-SKPFHBQLSA-N -1 0 520.529 4.782 50 0 KJAARM COc1cccc([C@@H]2NC(=O)N(Cc3ccccc3)[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1OC ZINC000012558521 553393665 /nfs/dbraw/zinc/39/36/65/553393665.db2.gz KPJUWBVQVFMEQP-MZLICYQSSA-N -1 0 520.529 4.782 50 0 KJAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012563514 553395774 /nfs/dbraw/zinc/39/57/74/553395774.db2.gz KCPGKFPESMHEFE-UHFFFAOYSA-N -1 0 507.509 4.608 50 0 KJAARM COc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000012570253 553398245 /nfs/dbraw/zinc/39/82/45/553398245.db2.gz GCBSSRCSOMSUTK-UHFFFAOYSA-N -1 0 525.627 4.512 50 0 KJAARM CCOc1ccc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000012583733 553399504 /nfs/dbraw/zinc/39/95/04/553399504.db2.gz MOAZSEUYEMWSCZ-UHFFFAOYSA-N -1 0 511.581 4.519 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000012599868 553400976 /nfs/dbraw/zinc/40/09/76/553400976.db2.gz PJHZAPTYOADVPS-NXQMDHLFSA-N -1 0 517.644 4.965 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC000012599872 553401021 /nfs/dbraw/zinc/40/10/21/553401021.db2.gz PJHZAPTYOADVPS-IOZGHAEBSA-N -1 0 517.644 4.965 50 0 KJAARM CCN(CC)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000012621195 553403714 /nfs/dbraw/zinc/40/37/14/553403714.db2.gz AGMQEEPMSYNXFX-UHFFFAOYSA-N -1 0 518.705 4.736 50 0 KJAARM CCCOC(=O)c1ccc(Oc2coc3cc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc(=O)c-3c2[O-])cc1 ZINC000012654751 553410403 /nfs/dbraw/zinc/41/04/03/553410403.db2.gz XCPSYYGVXBFPTC-OAHLLOKOSA-N -1 0 527.526 4.676 50 0 KJAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000012658418 553411229 /nfs/dbraw/zinc/41/12/29/553411229.db2.gz QYBSXKYHQWICLF-SUEOHIHHSA-N -1 0 518.654 4.628 50 0 biogenic KJAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)[O-])c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000012658421 553411277 /nfs/dbraw/zinc/41/12/77/553411277.db2.gz QYBSXKYHQWICLF-MLZPMDIISA-N -1 0 518.654 4.628 50 0 biogenic KJAARM CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)[O-])CC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012661040 553412122 /nfs/dbraw/zinc/41/21/22/553412122.db2.gz ZYADXQOYYTYVCC-PIVAXIRDSA-N -1 0 542.717 4.649 50 0 biogenic KJAARM CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)[O-] ZINC000012661509 553412145 /nfs/dbraw/zinc/41/21/45/553412145.db2.gz LTTOESVXABLSII-GYWNTOINSA-N -1 0 501.664 4.826 50 0 biogenic KJAARM CC[C@H](C)[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)[O-] ZINC000012661523 553412148 /nfs/dbraw/zinc/41/21/48/553412148.db2.gz DLEAMLICSMSRRZ-BFUDBDEWSA-N -1 0 501.664 4.826 50 0 biogenic KJAARM CSCC[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)[O-] ZINC000012661541 553412167 /nfs/dbraw/zinc/41/21/67/553412167.db2.gz HDTPISZMYXBJDM-JCTQRPJNSA-N -1 0 519.704 4.533 50 0 biogenic KJAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000012858859 553422632 /nfs/dbraw/zinc/42/26/32/553422632.db2.gz HJFXGFFHWITKOZ-DEOSSOPVSA-N -1 0 512.562 4.871 50 0 biogenic KJAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000012874177 553424547 /nfs/dbraw/zinc/42/45/47/553424547.db2.gz OMKQWZVVMLVXAB-XMMPIXPASA-N -1 0 516.550 4.704 50 0 biogenic KJAARM CSCC[C@@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000012878104 553425089 /nfs/dbraw/zinc/42/50/89/553425089.db2.gz VBFWCPMYEUWENW-PUBPIMCLSA-N -1 0 521.720 4.613 50 0 biogenic KJAARM CSCC[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000012878111 553425105 /nfs/dbraw/zinc/42/51/05/553425105.db2.gz VBFWCPMYEUWENW-FBMOSYGHSA-N -1 0 521.720 4.613 50 0 biogenic KJAARM CSCC[C@H](NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000012878117 553425083 /nfs/dbraw/zinc/42/50/83/553425083.db2.gz VBFWCPMYEUWENW-QDVRJXFESA-N -1 0 521.720 4.613 50 0 biogenic KJAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)NCCCCCC(=O)[O-] ZINC000012888407 553426339 /nfs/dbraw/zinc/42/63/39/553426339.db2.gz GXGLXISWNHCODA-CPJLOUKISA-N -1 0 526.630 4.689 50 0 biogenic KJAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCc2c(Cl)cccc2O[C@@H]2C[C@]3(C(C)C)CC[C@@]2(C)O3)cc1 ZINC000012954977 553429331 /nfs/dbraw/zinc/42/93/31/553429331.db2.gz OPXMGVHZCQCBFH-GPXOXTDOSA-N -1 0 507.052 4.952 50 0 KJAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCc2c(Cl)cccc2O[C@H]2C[C@]3(C(C)C)CC[C@@]2(C)O3)cc1 ZINC000012954980 553429318 /nfs/dbraw/zinc/42/93/18/553429318.db2.gz OPXMGVHZCQCBFH-CAOCKLPOSA-N -1 0 507.052 4.952 50 0 KJAARM O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(I)cc(I)c1[O-] ZINC000012956265 553429753 /nfs/dbraw/zinc/42/97/53/553429753.db2.gz ARGOXJQNHKFYCY-UHFFFAOYSA-N -1 0 547.945 4.838 50 0 KJAARM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000013014753 553432820 /nfs/dbraw/zinc/43/28/20/553432820.db2.gz XZRKZTXNEKNSQB-GOSISDBHSA-N -1 0 513.641 4.723 50 0 KJAARM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000013014757 553432796 /nfs/dbraw/zinc/43/27/96/553432796.db2.gz XZRKZTXNEKNSQB-SFHVURJKSA-N -1 0 513.641 4.723 50 0 KJAARM COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)c(OC)cc3OC)c2)cc1 ZINC000013027861 553437462 /nfs/dbraw/zinc/43/74/62/553437462.db2.gz PHQXGRJSZZRHAY-UHFFFAOYSA-N -1 0 518.975 4.505 50 0 KJAARM COc1ccc(CC(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000013114495 553448770 /nfs/dbraw/zinc/44/87/70/553448770.db2.gz BVNUMFUZMPGTMI-UHFFFAOYSA-N -1 0 509.628 4.676 50 0 KJAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000013126333 553449708 /nfs/dbraw/zinc/44/97/08/553449708.db2.gz KTWLXSISZFNCRI-UHFFFAOYSA-N -1 0 514.717 4.809 50 0 KJAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013127255 553449701 /nfs/dbraw/zinc/44/97/01/553449701.db2.gz GUABTSIRHBZQAH-UHFFFAOYSA-N -1 0 520.605 4.661 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)COc2ccc(Br)cc2)ccc1C ZINC000013131621 553451441 /nfs/dbraw/zinc/45/14/41/553451441.db2.gz PGUVRZIEPUHMCS-UHFFFAOYSA-N -1 0 505.390 4.584 50 0 KJAARM CCOc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000013135808 553452808 /nfs/dbraw/zinc/45/28/08/553452808.db2.gz JMOXYJYOUFOGCV-UHFFFAOYSA-N -1 0 509.971 4.867 50 0 KJAARM CCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)cc1 ZINC000013137273 553453204 /nfs/dbraw/zinc/45/32/04/553453204.db2.gz WIDVLVWKHYMVTC-UHFFFAOYSA-N -1 0 512.584 4.505 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)COc2cccc(Br)c2)ccc1C ZINC000013138465 553453779 /nfs/dbraw/zinc/45/37/79/553453779.db2.gz NSDLFQVZFYVFIQ-UHFFFAOYSA-N -1 0 505.390 4.584 50 0 KJAARM O=C(COC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])N(Cc1ccccc1)Cc1ccccc1 ZINC000013146076 553455115 /nfs/dbraw/zinc/45/51/15/553455115.db2.gz VCHJXJOTJMAPTM-UHFFFAOYSA-N -1 0 509.484 4.983 50 0 KJAARM COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)c(OC)cc3OC)c2)c1 ZINC000013148460 553455992 /nfs/dbraw/zinc/45/59/92/553455992.db2.gz RKBHQAYDZVJBGG-UHFFFAOYSA-N -1 0 518.975 4.505 50 0 KJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)ccc2OC)cc1 ZINC000013148811 553456119 /nfs/dbraw/zinc/45/61/19/553456119.db2.gz NSWAWNGRPLAXRI-UHFFFAOYSA-N -1 0 520.991 4.818 50 0 KJAARM CCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1OC ZINC000013148923 553456143 /nfs/dbraw/zinc/45/61/43/553456143.db2.gz CLUGBNVVHWKFIN-UHFFFAOYSA-N -1 0 508.955 4.948 50 0 KJAARM CCOc1ccccc1-n1c(=O)c([C@@H]2NCCc3ccccc32)c([O-])nc1SCC(=O)c1ccc(C)cc1 ZINC000013512600 553467732 /nfs/dbraw/zinc/46/77/32/553467732.db2.gz SNQWHZVVKFZGKW-HHHXNRCGSA-N -1 0 527.646 4.855 50 0 KJAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1Cl ZINC000013523742 553468399 /nfs/dbraw/zinc/46/83/99/553468399.db2.gz TXDBCZRATVITGY-ZIAGYGMSSA-N -1 0 501.432 4.930 50 0 KJAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1Cl ZINC000013523747 553468383 /nfs/dbraw/zinc/46/83/83/553468383.db2.gz TXDBCZRATVITGY-KBPBESRZSA-N -1 0 501.432 4.930 50 0 KJAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3C[C@H](C)C[C@H](C)C3)c2)cc1Cl ZINC000013523752 553468444 /nfs/dbraw/zinc/46/84/44/553468444.db2.gz TXDBCZRATVITGY-OKILXGFUSA-N -1 0 501.432 4.930 50 0 KJAARM COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccn4)=NN32)c(C(=O)[O-])c1OC ZINC000013550751 553470434 /nfs/dbraw/zinc/47/04/34/553470434.db2.gz RJKCDESIORYZEC-JPYJTQIMSA-N -1 0 510.344 4.802 50 0 KJAARM COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccn4)=NN32)c(C(=O)[O-])c1OC ZINC000013550754 553470445 /nfs/dbraw/zinc/47/04/45/553470445.db2.gz RJKCDESIORYZEC-WZONZLPQSA-N -1 0 510.344 4.802 50 0 KJAARM O=C([O-])CCCC(=O)N1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3Cl)n2)CC1 ZINC000013563014 553472077 /nfs/dbraw/zinc/47/20/77/553472077.db2.gz FMKBEPTZEPGVEV-UHFFFAOYSA-N -1 0 517.811 4.616 50 0 KJAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000013571932 553474117 /nfs/dbraw/zinc/47/41/17/553474117.db2.gz IPKYVJLWGXFORE-XUVXKRRUSA-N -1 0 518.513 4.735 50 0 KJAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000013571938 553474155 /nfs/dbraw/zinc/47/41/55/553474155.db2.gz IPKYVJLWGXFORE-VAMGGRTRSA-N -1 0 518.513 4.735 50 0 KJAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1Br ZINC000013575757 553474847 /nfs/dbraw/zinc/47/48/47/553474847.db2.gz MPBCQHGNAZGYDX-NDENLUEZSA-N -1 0 513.319 4.705 50 0 KJAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccc(Br)cc1 ZINC000013575761 553474838 /nfs/dbraw/zinc/47/48/38/553474838.db2.gz KFTZCJJGVYYYFY-NDENLUEZSA-N -1 0 513.319 4.705 50 0 KJAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1cc(Br)ccc1F)NC(=O)c1ccccc1 ZINC000013575838 553474839 /nfs/dbraw/zinc/47/48/39/553474839.db2.gz FAJYEWAWBZTCAY-MOSHPQCFSA-N -1 0 513.319 4.705 50 0 KJAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccc(Br)c(F)c1)NC(=O)c1ccccc1 ZINC000013575864 553474884 /nfs/dbraw/zinc/47/48/84/553474884.db2.gz FKOOYSBZLSAGAA-NDENLUEZSA-N -1 0 513.319 4.705 50 0 KJAARM O=C([O-])/C=C/C(=O)Nc1ccccc1CNC(=O)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1 ZINC000013576923 553475170 /nfs/dbraw/zinc/47/51/70/553475170.db2.gz DJUGQWQJCKOQPB-YTCCIEKZSA-N -1 0 519.557 4.506 50 0 KJAARM C/C(=C\C(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1)C(=O)[O-] ZINC000013579124 553475411 /nfs/dbraw/zinc/47/54/11/553475411.db2.gz MDENEISWKKLCDD-YEXLONIWSA-N -1 0 504.564 4.899 50 0 KJAARM C/C(=C\C(=O)Nc1ccc(S[C@H](C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1)C(=O)[O-] ZINC000013579125 553475425 /nfs/dbraw/zinc/47/54/25/553475425.db2.gz MDENEISWKKLCDD-AZBDZEDCSA-N -1 0 504.564 4.899 50 0 KJAARM CCOC(=O)c1c(NC(=O)CSc2ccc(NC(=O)/C=C(\C)C(=O)[O-])cc2)sc2c1CCCC2 ZINC000013579151 553475393 /nfs/dbraw/zinc/47/53/93/553475393.db2.gz SDLGIYHUWISEAO-WYMLVPIESA-N -1 0 502.614 4.504 50 0 KJAARM Cc1oc2ccccc2c1C(=O)c1cc(I)c([O-])c(I)c1 ZINC000013586705 553476774 /nfs/dbraw/zinc/47/67/74/553476774.db2.gz QLUUKNMPBTWGBB-UHFFFAOYSA-N -1 0 504.061 4.887 50 0 KJAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)NCCCC(=O)[O-] ZINC000013591437 553476969 /nfs/dbraw/zinc/47/69/69/553476969.db2.gz PEMNGVOYTFRWRD-MYYSRTQBSA-N -1 0 526.630 4.508 50 0 KJAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013606848 553477419 /nfs/dbraw/zinc/47/74/19/553477419.db2.gz KVNIQVWQYQAFPW-UHFFFAOYSA-N -1 0 502.998 4.937 50 0 KJAARM COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccnc4)=NN32)c(C(=O)[O-])c1OC ZINC000013685239 553485100 /nfs/dbraw/zinc/48/51/00/553485100.db2.gz RAUMHIVJGZWINU-JPYJTQIMSA-N -1 0 510.344 4.802 50 0 KJAARM COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccnc4)=NN32)c(C(=O)[O-])c1OC ZINC000013685244 553485134 /nfs/dbraw/zinc/48/51/34/553485134.db2.gz RAUMHIVJGZWINU-WZONZLPQSA-N -1 0 510.344 4.802 50 0 KJAARM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000013810814 553492418 /nfs/dbraw/zinc/49/24/18/553492418.db2.gz MFMQLAJBLUGMMX-CYXNTTPDSA-N -1 0 516.550 4.623 50 0 KJAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1 ZINC000013895962 553494757 /nfs/dbraw/zinc/49/47/57/553494757.db2.gz FCDVJNDWLLZZIJ-WOJBJXKFSA-N -1 0 523.431 4.599 50 0 KJAARM CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2nc(=O)o[n-]2)cc1 ZINC000014210642 553506389 /nfs/dbraw/zinc/50/63/89/553506389.db2.gz QJFSABGVXDWMIW-UHFFFAOYSA-N -1 0 568.542 4.705 50 0 fda KJAARM CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000014276855 553509770 /nfs/dbraw/zinc/50/97/70/553509770.db2.gz LPAHKJMGDSJDRG-DJYQTOCQSA-N -1 0 641.810 4.820 50 0 in-vitro KJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1N1CCCCC1 ZINC000014360060 553513804 /nfs/dbraw/zinc/51/38/04/553513804.db2.gz OQJAIMGGLZALBA-UHFFFAOYSA-N -1 0 529.684 4.904 50 0 KJAARM CC(C)(C)OC(=O)COc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000014632661 553518942 /nfs/dbraw/zinc/51/89/42/553518942.db2.gz HGZSQWKDOAHSLN-SANMLTNESA-N -1 0 517.578 4.942 50 0 KJAARM CCc1oc2cc(S(=O)(=O)N(C)C)ccc2c1C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000014881085 553520976 /nfs/dbraw/zinc/52/09/76/553520976.db2.gz FEYGJZKVMASWJB-UHFFFAOYSA-N -1 0 531.222 4.707 50 0 in-vivo KJAARM Cc1ccccc1CSc1nnc(CC[N-]S(=O)(=O)c2c(F)cccc2F)n1-c1ccc(F)cc1 ZINC000014986145 553523627 /nfs/dbraw/zinc/52/36/27/553523627.db2.gz OGRUUXMMPKKZMJ-UHFFFAOYSA-N -1 0 518.586 4.806 50 0 KJAARM COC(=O)CSc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000015686311 553534454 /nfs/dbraw/zinc/53/44/54/553534454.db2.gz CEPPMJUAEJDPKE-MRXNPFEDSA-N -1 0 503.256 4.995 50 0 KJAARM CC(C)(C)OC(=O)C(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(=O)OC(C)(C)C ZINC000015721217 553534712 /nfs/dbraw/zinc/53/47/12/553534712.db2.gz XJRUHYXXHXECDI-QHCPKHFHSA-N -1 0 525.598 4.668 50 0 in-vitro KJAARM O=C([O-])[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000015721509 553534691 /nfs/dbraw/zinc/53/46/91/553534691.db2.gz FPVBKISSJULIGI-MHZLTWQESA-N -1 0 508.574 4.864 50 0 KJAARM O=C([O-])[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 ZINC000015721689 553534921 /nfs/dbraw/zinc/53/49/21/553534921.db2.gz FPVBKISSJULIGI-HHHXNRCGSA-N -1 0 508.574 4.864 50 0 KJAARM CC(C)(C)OC(=O)NCCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000015722206 553534930 /nfs/dbraw/zinc/53/49/30/553534930.db2.gz VODQCWHZYBQNRK-QFIPXVFZSA-N -1 0 500.617 4.626 50 0 KJAARM COc1ccc(Cl)cc1NC(=O)CSc1nc2ccsc2c(=O)n1CC1CCC(C(=O)[O-])CC1 ZINC000015943160 553543598 /nfs/dbraw/zinc/54/35/98/553543598.db2.gz VZBAATIMISDUPE-UHFFFAOYSA-N -1 0 522.048 4.742 50 0 KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@@H]1C(=O)[O-])occ3-c1ccc(Br)cc1 ZINC000015959398 1066406981 /nfs/dbraw/zinc/40/69/81/1066406981.db2.gz RSODRHBSYXEECJ-HXUWFJFHSA-N -1 0 510.340 4.895 50 0 KJAARM O=C(N=c1ccn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1)c1ccccc1Cl ZINC000015978923 553548189 /nfs/dbraw/zinc/54/81/89/553548189.db2.gz HAFHUXCHCZPUHV-UHFFFAOYSA-N -1 0 515.982 4.616 50 0 KJAARM CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000015979713 553548319 /nfs/dbraw/zinc/54/83/19/553548319.db2.gz JRHBZHJWTISSLB-UHFFFAOYSA-N -1 0 514.547 4.730 50 0 KJAARM Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C(=O)[O-])c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000016043776 553553417 /nfs/dbraw/zinc/55/34/17/553553417.db2.gz FTKJUJXTJAFSPS-AQTBWJFISA-N -1 0 510.012 4.835 50 0 KJAARM CCOc1ccc(C[C@@]2(CCc3ccncc3)C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000016293477 553559428 /nfs/dbraw/zinc/55/94/28/553559428.db2.gz APTFRUOFPNBYBD-SANMLTNESA-N -1 0 522.399 4.688 50 0 KJAARM CCOc1ccc(C[C@]2(CCc3ccncc3)C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000016293479 553559398 /nfs/dbraw/zinc/55/93/98/553559398.db2.gz APTFRUOFPNBYBD-AREMUKBSSA-N -1 0 522.399 4.688 50 0 KJAARM O=C([N-]S(=O)(=O)Nc1nc(Cl)ccc1Cl)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000016310244 1067156517 /nfs/dbraw/zinc/15/65/17/1067156517.db2.gz SSHRXDYSNMAWNY-UHFFFAOYSA-N -1 0 515.382 4.991 50 0 KJAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(N4CCOCC4)cc3)nc2c1 ZINC000016348360 553560887 /nfs/dbraw/zinc/56/08/87/553560887.db2.gz VSGWLAPEBAPFPE-UHFFFAOYSA-N -1 0 510.019 4.973 50 0 KJAARM O=C([O-])c1ccc(-n2c(=O)c3cc(I)ccc3nc2/C=C/c2ccc(O)cc2)cc1 ZINC000016361607 553561229 /nfs/dbraw/zinc/56/12/29/553561229.db2.gz NPWFPCHAGOQWEM-KGVSQERTSA-N -1 0 510.287 4.565 50 0 KJAARM O=C([O-])c1ccc(-n2c(=O)c3cc(I)ccc3nc2/C=C/c2ccccc2O)cc1 ZINC000016361969 553561213 /nfs/dbraw/zinc/56/12/13/553561213.db2.gz GOTJIWDIVJFXBN-KPKJPENVSA-N -1 0 510.287 4.565 50 0 KJAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(N4CCN(c5cccc(Cl)c5)CC4)c(Cl)c1=O)(C3)C2 ZINC000016398928 553562255 /nfs/dbraw/zinc/56/22/55/553562255.db2.gz JJNYENONIQEYPU-LJQDGHHOSA-N -1 0 517.457 4.647 50 0 KJAARM O=C(NN=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc(Br)c([O-])c(Br)c1 ZINC000016399959 1066406914 /nfs/dbraw/zinc/40/69/14/1066406914.db2.gz QGDWKJFVTKTTBG-UHFFFAOYSA-N -1 0 509.110 4.849 50 0 KJAARM Cc1cccc(-n2c3c(c(=O)[n-]c2=S)[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N3)c1 ZINC000016448644 553565125 /nfs/dbraw/zinc/56/51/25/553565125.db2.gz ILBWZHAMVNMQBX-XMMPIXPASA-N -1 0 516.545 4.641 50 0 KJAARM Cc1cccc(-n2c3c(c(=O)[n-]c2=S)[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N3)c1 ZINC000016448646 553565163 /nfs/dbraw/zinc/56/51/63/553565163.db2.gz ILBWZHAMVNMQBX-DEOSSOPVSA-N -1 0 516.545 4.641 50 0 KJAARM COc1ccc(-n2[n-]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4ccc(F)cc4)C3=O)c2=O)cc1 ZINC000016534110 553567581 /nfs/dbraw/zinc/56/75/81/553567581.db2.gz QQKXFAFHZVSCFU-MYYYXRDXSA-N -1 0 516.504 4.548 50 0 KJAARM COc1ccc(-n2[n-]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4cccc(C)c4)C3=O)c2=O)cc1 ZINC000016534134 553567570 /nfs/dbraw/zinc/56/75/70/553567570.db2.gz DTFHNGAFAHFKRF-QQXSKIMKSA-N -1 0 512.541 4.718 50 0 KJAARM Cc1cccc(-n2[n-]c(-c3ccccc3)c(C=C3NC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2=O)c1C ZINC000016534181 553567490 /nfs/dbraw/zinc/56/74/90/553567490.db2.gz WXXYTWQSCJXTHN-HAHDFKILSA-N -1 0 509.522 4.863 50 0 KJAARM CCOC(=O)c1ccc(NC(=O)CSC2=NC(=O)C(C(c3ccccc3)c3ccccc3)C([O-])=N2)cc1 ZINC000016662346 553571321 /nfs/dbraw/zinc/57/13/21/553571321.db2.gz PGJVHPXBNKHRRF-UHFFFAOYSA-N -1 0 515.591 4.563 50 0 KJAARM CCCOc1c(Cl)cc(C(=O)NCc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1Cl ZINC000016752577 553580895 /nfs/dbraw/zinc/58/08/95/553580895.db2.gz GXXNVOZIDIMYKU-UHFFFAOYSA-N -1 0 500.429 4.970 50 0 KJAARM CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(Cc3ccc(Cl)cc3)c(=O)[n-]1)CCCC2 ZINC000016806790 553583493 /nfs/dbraw/zinc/58/34/93/553583493.db2.gz PGQFFIDIMKQBGJ-UHFFFAOYSA-N -1 0 519.048 4.669 50 0 KJAARM O=C(CSC1=NC(=O)C(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C([O-])=N1)NCc1ccco1 ZINC000017086399 553587972 /nfs/dbraw/zinc/58/79/72/553587972.db2.gz YKJALHDHYZFJIJ-UHFFFAOYSA-N -1 0 516.406 4.964 50 0 KJAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000017143536 553588889 /nfs/dbraw/zinc/58/88/89/553588889.db2.gz GOMWXMHYXCEXEE-OJUVVUHZSA-N -1 0 519.395 4.588 50 0 KJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Nc2nc(C)cc(N(C)C)n2)cc1 ZINC000017315611 553593364 /nfs/dbraw/zinc/59/33/64/553593364.db2.gz BTEPRFFLSMPQOZ-UHFFFAOYSA-N -1 0 506.426 4.557 50 0 KJAARM Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Cn4c(=O)c5cc(N6CCOCC6)ccc5[n-]c4=S)cc3)CC2)c1 ZINC000017337610 553593690 /nfs/dbraw/zinc/59/36/90/553593690.db2.gz QLKQEXCDZHXQOC-UHFFFAOYSA-N -1 0 569.731 4.523 50 0 KJAARM COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000017574746 553597975 /nfs/dbraw/zinc/59/79/75/553597975.db2.gz ZYNZNTKCEYNUNF-UHFFFAOYSA-N -1 0 548.440 4.555 50 0 KJAARM COc1ccc(-n2c(=O)c(Cc3ccccc3)c([O-])nc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000017945625 553600723 /nfs/dbraw/zinc/60/07/23/553600723.db2.gz IUUOUOAPZYAJJW-UHFFFAOYSA-N -1 0 507.999 4.922 50 0 KJAARM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000017949474 553600729 /nfs/dbraw/zinc/60/07/29/553600729.db2.gz UVJQZPSMGXPSJC-AFESJLNVSA-N -1 0 577.428 4.673 50 0 KJAARM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000017991010 553601013 /nfs/dbraw/zinc/60/10/13/553601013.db2.gz HWJJTOQXICMKRM-PFBJBMPXSA-N -1 0 502.567 4.934 50 0 KJAARM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018042078 553602224 /nfs/dbraw/zinc/60/22/24/553602224.db2.gz IFYYYSKSSMBLCP-PFBJBMPXSA-N -1 0 502.567 4.934 50 0 KJAARM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018165181 553606862 /nfs/dbraw/zinc/60/68/62/553606862.db2.gz YDNHMQNYNWAOBK-PFBJBMPXSA-N -1 0 502.567 4.934 50 0 KJAARM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(OCC)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018165964 553606856 /nfs/dbraw/zinc/60/68/56/553606856.db2.gz YRKQSZPBURBSRY-VJGNERBWSA-N -1 0 502.567 4.934 50 0 KJAARM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1OC ZINC000018175352 553607205 /nfs/dbraw/zinc/60/72/05/553607205.db2.gz BKVGQQYQSQAJSB-SKVJQKLOSA-N -1 0 510.546 4.917 50 0 KJAARM O=C([O-])c1ccccc1NC(=O)N[C@@H](OC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000019800790 553617581 /nfs/dbraw/zinc/61/75/81/553617581.db2.gz FMJVIZOBHMUKMU-HNNXBMFYSA-N -1 0 510.555 4.822 50 0 KJAARM O=C([O-])c1ccccc1NC(=O)N[C@H](OC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000019800791 553617583 /nfs/dbraw/zinc/61/75/83/553617583.db2.gz FMJVIZOBHMUKMU-OAHLLOKOSA-N -1 0 510.555 4.822 50 0 KJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NCc5ccccc5OC)cc4)c3=O)c2c1 ZINC000020131604 553591710 /nfs/dbraw/zinc/59/17/10/553591710.db2.gz CDKDGGJXYYJVCY-UHFFFAOYSA-N -1 0 500.580 4.536 50 0 KJAARM COc1cc2c(cc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c3ncccn3)cc1)oc1ccccc12 ZINC000020228803 553616730 /nfs/dbraw/zinc/61/67/30/553616730.db2.gz UIMZEBCUHMSTBO-UHFFFAOYSA-N -1 0 505.581 4.994 50 0 KJAARM COC(=O)/C=C/c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2Cl)ccc1OC ZINC000020258386 553629425 /nfs/dbraw/zinc/62/94/25/553629425.db2.gz RSJIHRGHRMOZNW-SDNWHVSQSA-N -1 0 500.960 4.588 50 0 KJAARM CCOc1ccccc1-n1c(=O)c([C@H]2NCCc3ccccc32)c([O-])nc1SCC(=O)c1ccc(C)cc1 ZINC000020289793 553634923 /nfs/dbraw/zinc/63/49/23/553634923.db2.gz SNQWHZVVKFZGKW-MHZLTWQESA-N -1 0 527.646 4.855 50 0 KJAARM COC(=O)c1c2c(sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c3cc(C)on3)cc1)CCCCC2 ZINC000020356904 553642232 /nfs/dbraw/zinc/64/22/32/553642232.db2.gz ISSKBKHAEBBLOM-UHFFFAOYSA-N -1 0 520.658 4.710 50 0 KJAARM CCOc1cc2c(cc1OCC)[C@H](c1cc(OC)c(OC)c(OC)c1)N(c1cccc(C(=O)[O-])c1)C(=O)C2 ZINC000020446163 553649574 /nfs/dbraw/zinc/64/95/74/553649574.db2.gz ZVAYKZVJDSGSKE-MHZLTWQESA-N -1 0 521.566 4.887 50 0 KJAARM CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(c1cccc(C(=O)[O-])c1)C(=O)C2 ZINC000020446167 553649570 /nfs/dbraw/zinc/64/95/70/553649570.db2.gz ZVAYKZVJDSGSKE-HHHXNRCGSA-N -1 0 521.566 4.887 50 0 KJAARM C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000020572300 553674537 /nfs/dbraw/zinc/67/45/37/553674537.db2.gz IVOBRLADKBXXIY-CYBMUJFWSA-N -1 0 501.026 4.871 50 0 KJAARM C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000020572301 553674530 /nfs/dbraw/zinc/67/45/30/553674530.db2.gz IVOBRLADKBXXIY-ZDUSSCGKSA-N -1 0 501.026 4.871 50 0 KJAARM O=C(c1ccc2c(c1)[n-]c(=S)n(CCc1c[nH]c3ccccc13)c2=O)N1CCN(c2ccccc2)CC1 ZINC000020643496 553683599 /nfs/dbraw/zinc/68/35/99/553683599.db2.gz QEELXKJPSBXNGM-UHFFFAOYSA-N -1 0 509.635 4.745 50 0 KJAARM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)N1CCN(c2ccccc2)CC1 ZINC000020644220 553684089 /nfs/dbraw/zinc/68/40/89/553684089.db2.gz RCZJKCFXLMGRKS-UHFFFAOYSA-N -1 0 515.477 4.731 50 0 KJAARM CCN(CCCNC(=O)CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)c1cccc(C)c1 ZINC000020644399 553684356 /nfs/dbraw/zinc/68/43/56/553684356.db2.gz GLCMEICRKRZKTI-UHFFFAOYSA-N -1 0 510.660 4.689 50 0 KJAARM Cc1ccc(Cl)cc1N1CCN(C(=O)CCCCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)CC1 ZINC000020644424 553684702 /nfs/dbraw/zinc/68/47/02/553684702.db2.gz LEROASQOKRANTF-UHFFFAOYSA-N -1 0 529.062 4.659 50 0 KJAARM O=C(c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000020644472 553684576 /nfs/dbraw/zinc/68/45/76/553684576.db2.gz PKTFOSAUQWAYLH-UHFFFAOYSA-N -1 0 513.619 4.931 50 0 KJAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2cc1OCC ZINC000020644646 553684682 /nfs/dbraw/zinc/68/46/82/553684682.db2.gz SPTJCZRMQUHLRS-UHFFFAOYSA-N -1 0 531.078 4.639 50 0 KJAARM COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(CCC2=CCCCC2)c3=O)CC1 ZINC000020645616 553685000 /nfs/dbraw/zinc/68/50/00/553685000.db2.gz LBRBMSDDHNIAHY-UHFFFAOYSA-N -1 0 504.656 4.921 50 0 KJAARM O=C(c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[n-]c2c1)N1CCN(Cc2ccccc2)CC1 ZINC000020645618 553684990 /nfs/dbraw/zinc/68/49/90/553684990.db2.gz VOQHGRYONNZIIM-UHFFFAOYSA-N -1 0 505.043 4.719 50 0 KJAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2[n-]c1=S ZINC000020645628 553685052 /nfs/dbraw/zinc/68/50/52/553685052.db2.gz HNTFFWSCAWQDFJ-UHFFFAOYSA-N -1 0 521.042 4.732 50 0 KJAARM COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc(Cl)cc2)c3=O)CC1 ZINC000020645630 553685028 /nfs/dbraw/zinc/68/50/28/553685028.db2.gz AWVVRDAMAOLZQF-UHFFFAOYSA-N -1 0 521.042 4.732 50 0 KJAARM Cc1c(Cl)cccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000020861039 553700466 /nfs/dbraw/zinc/70/04/66/553700466.db2.gz BBACRMXSPIILBH-UHFFFAOYSA-N -1 0 506.049 4.593 50 0 KJAARM CC(C)(C)OC(=O)C(C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(=O)OC(C)(C)C ZINC000022059631 553725098 /nfs/dbraw/zinc/72/50/98/553725098.db2.gz XJRUHYXXHXECDI-HSZRJFAPSA-N -1 0 525.598 4.668 50 0 in-vitro KJAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000022627146 553748574 /nfs/dbraw/zinc/74/85/74/553748574.db2.gz ZRXOJEXVURUWID-JOCHJYFZSA-N -1 0 514.051 4.777 50 0 KJAARM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000022627150 553748459 /nfs/dbraw/zinc/74/84/59/553748459.db2.gz ZRXOJEXVURUWID-QFIPXVFZSA-N -1 0 514.051 4.777 50 0 KJAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022627154 553748408 /nfs/dbraw/zinc/74/84/08/553748408.db2.gz WWDJVCFQQJADDQ-IBGZPJMESA-N -1 0 502.413 4.618 50 0 KJAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022627157 553748578 /nfs/dbraw/zinc/74/85/78/553748578.db2.gz WWDJVCFQQJADDQ-LJQANCHMSA-N -1 0 502.413 4.618 50 0 KJAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022627218 553748575 /nfs/dbraw/zinc/74/85/75/553748575.db2.gz LKXPFTPFIOXYJH-IBGZPJMESA-N -1 0 502.413 4.618 50 0 KJAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022627221 553748554 /nfs/dbraw/zinc/74/85/54/553748554.db2.gz LKXPFTPFIOXYJH-LJQANCHMSA-N -1 0 502.413 4.618 50 0 KJAARM COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)c1 ZINC000022798549 553751063 /nfs/dbraw/zinc/75/10/63/553751063.db2.gz XPAUNOWURWFSEW-QHCPKHFHSA-N -1 0 501.612 4.672 50 0 KJAARM COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)c1 ZINC000022798555 553751053 /nfs/dbraw/zinc/75/10/53/553751053.db2.gz XPAUNOWURWFSEW-HSZRJFAPSA-N -1 0 501.612 4.672 50 0 KJAARM O=C(c1ccco1)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022851881 553760918 /nfs/dbraw/zinc/76/09/18/553760918.db2.gz FCAGZQSUMUYTSN-IBGZPJMESA-N -1 0 509.975 4.550 50 0 KJAARM O=C(c1ccco1)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022851883 553760906 /nfs/dbraw/zinc/76/09/06/553760906.db2.gz FCAGZQSUMUYTSN-LJQANCHMSA-N -1 0 509.975 4.550 50 0 KJAARM O=C(c1ccco1)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000022851922 553760946 /nfs/dbraw/zinc/76/09/46/553760946.db2.gz PJSCSMZKXKNSCR-IBGZPJMESA-N -1 0 509.975 4.550 50 0 KJAARM O=C(c1ccco1)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000022851924 553760963 /nfs/dbraw/zinc/76/09/63/553760963.db2.gz PJSCSMZKXKNSCR-LJQANCHMSA-N -1 0 509.975 4.550 50 0 KJAARM O=C(c1ccco1)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000022851991 553760899 /nfs/dbraw/zinc/76/08/99/553760899.db2.gz PLYRMDABJJGMEI-IBGZPJMESA-N -1 0 509.975 4.550 50 0 KJAARM O=C(c1ccco1)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000022851993 553760931 /nfs/dbraw/zinc/76/09/31/553760931.db2.gz PLYRMDABJJGMEI-LJQANCHMSA-N -1 0 509.975 4.550 50 0 KJAARM COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000022852482 553761542 /nfs/dbraw/zinc/76/15/42/553761542.db2.gz AAXIPOPUGYPUJF-JOCHJYFZSA-N -1 0 505.575 4.816 50 0 KJAARM COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000022852484 553761539 /nfs/dbraw/zinc/76/15/39/553761539.db2.gz AAXIPOPUGYPUJF-QFIPXVFZSA-N -1 0 505.575 4.816 50 0 KJAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023157057 553771002 /nfs/dbraw/zinc/77/10/02/553771002.db2.gz WWOZZZGQYRZIPN-IBGZPJMESA-N -1 0 502.413 4.618 50 0 KJAARM Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023157058 553771060 /nfs/dbraw/zinc/77/10/60/553771060.db2.gz WWOZZZGQYRZIPN-LJQANCHMSA-N -1 0 502.413 4.618 50 0 KJAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023157060 553771024 /nfs/dbraw/zinc/77/10/24/553771024.db2.gz YYWFWOKILKDNHS-IBGZPJMESA-N -1 0 502.413 4.618 50 0 KJAARM Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023157062 553770997 /nfs/dbraw/zinc/77/09/97/553770997.db2.gz YYWFWOKILKDNHS-LJQANCHMSA-N -1 0 502.413 4.618 50 0 KJAARM COc1ccc(CCNC(=O)c2cc(Br)ccc2[N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000023447770 553781046 /nfs/dbraw/zinc/78/10/46/553781046.db2.gz XFLBLYQGPUFYRY-UHFFFAOYSA-N -1 0 503.418 4.539 50 0 KJAARM CCOc1cccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000024193201 553790476 /nfs/dbraw/zinc/79/04/76/553790476.db2.gz BVDSUNAVQUMZDQ-FQEVSTJZSA-N -1 0 512.609 4.693 50 0 KJAARM CCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000024193202 553790590 /nfs/dbraw/zinc/79/05/90/553790590.db2.gz BVDSUNAVQUMZDQ-HXUWFJFHSA-N -1 0 512.609 4.693 50 0 KJAARM CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c2cccc3N(C)C)cc1)C(=O)[O-] ZINC000024640039 553791301 /nfs/dbraw/zinc/79/13/01/553791301.db2.gz LUBOPDUYHWABFG-NDEPHWFRSA-N -1 0 647.775 4.867 50 0 in-vivo KJAARM O=S(=O)([N-]c1nc2ccccc2nc1Oc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000024985334 553792900 /nfs/dbraw/zinc/79/29/00/553792900.db2.gz UVHGAORQEKBTSS-UHFFFAOYSA-N -1 0 514.357 4.757 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2n[nH]c3ccccc32)ccc1N1CCCCC1 ZINC000024991681 553792816 /nfs/dbraw/zinc/79/28/16/553792816.db2.gz ZPZDSUBQAYUAFJ-UHFFFAOYSA-N -1 0 505.600 4.615 50 0 KJAARM CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc([C@@H](C)C(=O)[O-])cc1)n2C[C@@H]1CCCO1 ZINC000025143625 553794210 /nfs/dbraw/zinc/79/42/10/553794210.db2.gz OCPQMEHRPFOBOS-NQIIRXRSSA-N -1 0 531.700 4.726 50 0 KJAARM CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc([C@@H](C)C(=O)[O-])cc1)n2C[C@H]1CCCO1 ZINC000025143628 553794259 /nfs/dbraw/zinc/79/42/59/553794259.db2.gz OCPQMEHRPFOBOS-WIYYLYMNSA-N -1 0 531.700 4.726 50 0 KJAARM CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc([C@H](C)C(=O)[O-])cc1)n2C[C@@H]1CCCO1 ZINC000025143631 553794232 /nfs/dbraw/zinc/79/42/32/553794232.db2.gz OCPQMEHRPFOBOS-RXVVDRJESA-N -1 0 531.700 4.726 50 0 KJAARM CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc([C@H](C)C(=O)[O-])cc1)n2C[C@H]1CCCO1 ZINC000025143634 553794263 /nfs/dbraw/zinc/79/42/63/553794263.db2.gz OCPQMEHRPFOBOS-GHTZIAJQSA-N -1 0 531.700 4.726 50 0 KJAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(NCCc3c[nH]c4ccccc34)c3ccc(Cl)cc3)C2=O)cc1 ZINC000025182135 553805773 /nfs/dbraw/zinc/80/57/73/553805773.db2.gz IPDBFRVRFCGKAI-OCOZRVBESA-N -1 0 514.969 4.656 50 0 KJAARM COc1ccc(OC)c(C(/C(Br)=C(\Br)C(=O)[O-])c2cc(OC)ccc2OC)c1 ZINC000025578740 553811441 /nfs/dbraw/zinc/81/14/41/553811441.db2.gz BBCMVYFSHWFVAV-VHEBQXMUSA-N -1 0 516.182 4.939 50 0 KJAARM Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000026504581 553818934 /nfs/dbraw/zinc/81/89/34/553818934.db2.gz MMGYNFSSNIFBQD-QJOMJCCJSA-N -1 0 518.620 4.662 50 0 KJAARM CN1CCN(c2ccc(NC(=O)c3cc(Br)cc(Br)c3[O-])cc2Cl)CC1 ZINC000027439827 553825562 /nfs/dbraw/zinc/82/55/62/553825562.db2.gz NQWAJGLKKLIWQQ-UHFFFAOYSA-N -1 0 503.622 4.575 50 0 KJAARM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc2c(cc1Sc1ccccc1)n(C)c(=O)n2C ZINC000028049139 553837401 /nfs/dbraw/zinc/83/74/01/553837401.db2.gz WMMAKMHYLSLQNW-UHFFFAOYSA-N -1 0 518.458 4.900 50 0 KJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(Br)cc3)c(Sc3ccccc3)cc2n(C)c1=O ZINC000028049142 553837461 /nfs/dbraw/zinc/83/74/61/553837461.db2.gz MPYFHKFRCOMUCI-UHFFFAOYSA-N -1 0 504.431 4.592 50 0 KJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(Br)cc3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049223 553837363 /nfs/dbraw/zinc/83/73/63/553837363.db2.gz OGBGVJAYFJTMQS-UHFFFAOYSA-N -1 0 510.479 4.865 50 0 KJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(Br)s3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049241 553837444 /nfs/dbraw/zinc/83/74/44/553837444.db2.gz GQAXCELUJYRHFJ-UHFFFAOYSA-N -1 0 516.508 4.927 50 0 KJAARM COc1cc([C@@H](c2c(C)n(C)n(-c3ccccc3)c2=O)c2c([O-])c3ccccc3oc2=O)cc(I)c1O ZINC000029747829 553848895 /nfs/dbraw/zinc/84/88/95/553848895.db2.gz NVQXZIMNXQIBMS-QHCPKHFHSA-N -1 0 610.404 4.795 50 0 KJAARM COc1cc([C@H](c2c(C)n(C)n(-c3ccccc3)c2=O)c2c([O-])c3ccccc3oc2=O)cc(I)c1O ZINC000029747830 553848919 /nfs/dbraw/zinc/84/89/19/553848919.db2.gz NVQXZIMNXQIBMS-HSZRJFAPSA-N -1 0 610.404 4.795 50 0 KJAARM O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000029749726 553852481 /nfs/dbraw/zinc/85/24/81/553852481.db2.gz UDZSBOKAMCVXGV-UHFFFAOYSA-N -1 0 572.462 4.888 50 0 KJAARM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccccc5F)cc4)cn3)n2)cc1 ZINC000032974755 553883767 /nfs/dbraw/zinc/88/37/67/553883767.db2.gz DEVDXPGHXJMICV-UHFFFAOYSA-N -1 0 505.531 4.597 50 0 KJAARM O=C([O-])c1cc(N2CCN(c3ccccc3Cl)CC2)nc2ccc(NS(=O)(=O)c3ccccc3)cc21 ZINC000032985156 553885490 /nfs/dbraw/zinc/88/54/90/553885490.db2.gz XBUIJILNMHSJOB-UHFFFAOYSA-N -1 0 523.014 4.714 50 0 KJAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NS(=O)(=O)c5ccccc5)ccc4n3)CC2)c1C ZINC000032985157 553885532 /nfs/dbraw/zinc/88/55/32/553885532.db2.gz QGVNBBVAYWYMBU-UHFFFAOYSA-N -1 0 516.623 4.677 50 0 KJAARM Cc1ccc(C)c(N2CCN(c3cc(C(=O)[O-])c4cc(NS(=O)(=O)c5ccccc5)ccc4n3)CC2)c1 ZINC000032985158 553885579 /nfs/dbraw/zinc/88/55/79/553885579.db2.gz FYULNQCIJLLCLC-UHFFFAOYSA-N -1 0 516.623 4.677 50 0 KJAARM Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccc(F)cc5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985176 553885513 /nfs/dbraw/zinc/88/55/13/553885513.db2.gz WNJDPUBTFVLKDT-UHFFFAOYSA-N -1 0 520.586 4.508 50 0 KJAARM Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccc5F)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985178 553885553 /nfs/dbraw/zinc/88/55/53/553885553.db2.gz VEWCBTYBVKUVKM-UHFFFAOYSA-N -1 0 520.586 4.508 50 0 KJAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccc5)CC4)cc(C(=O)[O-])c3c2)c1 ZINC000032985201 553885591 /nfs/dbraw/zinc/88/55/91/553885591.db2.gz ZPRANXIAPPHBQM-UHFFFAOYSA-N -1 0 516.623 4.677 50 0 KJAARM Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccc5)CC4)cc(C(=O)[O-])c3c2)c(C)c1 ZINC000032985217 553885854 /nfs/dbraw/zinc/88/58/54/553885854.db2.gz RZFWHXWPPZRHIB-UHFFFAOYSA-N -1 0 516.623 4.677 50 0 KJAARM Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccc5)CC4)cc(C(=O)[O-])c3c2)cc1C ZINC000032985223 553885950 /nfs/dbraw/zinc/88/59/50/553885950.db2.gz DGVYPEWDFBEDFT-UHFFFAOYSA-N -1 0 516.623 4.677 50 0 KJAARM CCc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccc5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985237 553885911 /nfs/dbraw/zinc/88/59/11/553885911.db2.gz JXVKQVQYKYHREW-UHFFFAOYSA-N -1 0 516.623 4.623 50 0 KJAARM Cc1ccccc1S(=O)(=O)Nc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)cc(C(=O)[O-])c2c1 ZINC000032985248 553886241 /nfs/dbraw/zinc/88/62/41/553886241.db2.gz PWUKVBRTXVICPI-UHFFFAOYSA-N -1 0 520.586 4.508 50 0 KJAARM Cc1ccccc1S(=O)(=O)Nc1ccc2nc(N3CCN(c4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000032985250 553886163 /nfs/dbraw/zinc/88/61/63/553886163.db2.gz VEOVUOOZVHVCQZ-UHFFFAOYSA-N -1 0 520.586 4.508 50 0 KJAARM Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(C(=O)[O-])c2c1 ZINC000032985261 553886177 /nfs/dbraw/zinc/88/61/77/553886177.db2.gz HSQDLIDLCUFRCZ-UHFFFAOYSA-N -1 0 520.586 4.508 50 0 KJAARM Cc1cccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccc(F)cc5)CC4)cc(C(=O)[O-])c3c2)c1 ZINC000032985275 553886249 /nfs/dbraw/zinc/88/62/49/553886249.db2.gz HUQXWPAQRABMJY-UHFFFAOYSA-N -1 0 520.586 4.508 50 0 KJAARM Cc1cccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccc5F)CC4)cc(C(=O)[O-])c3c2)c1 ZINC000032985277 553886309 /nfs/dbraw/zinc/88/63/09/553886309.db2.gz YMYGSUQPCHEKFY-UHFFFAOYSA-N -1 0 520.586 4.508 50 0 KJAARM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000033293610 553920757 /nfs/dbraw/zinc/92/07/57/553920757.db2.gz HSUVGFUXYDCRML-LSCVHKIXSA-N -1 0 510.337 4.687 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1 ZINC000033353525 553925635 /nfs/dbraw/zinc/92/56/35/553925635.db2.gz KAWDEICWGFTPSQ-QFIPXVFZSA-N -1 0 543.907 4.958 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1 ZINC000033353526 553925667 /nfs/dbraw/zinc/92/56/67/553925667.db2.gz KAWDEICWGFTPSQ-JOCHJYFZSA-N -1 0 543.907 4.958 50 0 KJAARM COc1ccc(Cl)c(NC(=O)c2cc(I)cc(I)c2[O-])c1 ZINC000033353872 553927262 /nfs/dbraw/zinc/92/72/62/553927262.db2.gz MZLMBZYJKAWEPS-UHFFFAOYSA-N -1 0 529.499 4.516 50 0 KJAARM Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)c(Br)c3)C2=O)cc1 ZINC000033354119 553928490 /nfs/dbraw/zinc/92/84/90/553928490.db2.gz HWSQTAQVVXMGIN-LPYMAVHISA-N -1 0 564.392 4.566 50 0 KJAARM COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=Nc2nc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)nn21 ZINC000033354403 553929711 /nfs/dbraw/zinc/92/97/11/553929711.db2.gz CJCASSGPIBEBEI-QHCPKHFHSA-N -1 0 595.479 4.864 50 0 KJAARM COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=Nc2nc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)nn21 ZINC000033354407 553929750 /nfs/dbraw/zinc/92/97/50/553929750.db2.gz CJCASSGPIBEBEI-HSZRJFAPSA-N -1 0 595.479 4.864 50 0 KJAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)Nc4ccc(OCc5ccccc5)cc4)CC3)cc21 ZINC000033354453 553929799 /nfs/dbraw/zinc/92/97/99/553929799.db2.gz JDOVWVGHWHKLIC-UHFFFAOYSA-N -1 0 560.651 4.957 50 0 KJAARM CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4onc(C)c4C)cc3)nc21 ZINC000033354922 553932099 /nfs/dbraw/zinc/93/20/99/553932099.db2.gz OQAJKVYYEDMXOD-UHFFFAOYSA-N -1 0 551.654 4.526 50 0 KJAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1NC(=O)OCCNC(=O)COc1ccc(Cl)cc1Cl ZINC000033355593 553935714 /nfs/dbraw/zinc/93/57/14/553935714.db2.gz YLAAECPKFQAAIH-UHFFFAOYSA-N -1 0 573.480 4.611 50 0 KJAARM O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000033357873 553951710 /nfs/dbraw/zinc/95/17/10/553951710.db2.gz JWBPHIVMDWPDGG-UHFFFAOYSA-N -1 0 563.598 4.877 50 0 KJAARM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1OC ZINC000033358525 553956352 /nfs/dbraw/zinc/95/63/52/553956352.db2.gz VHUPSFHXAGRQMT-ZHGFHMGHSA-N -1 0 636.682 4.911 50 0 KJAARM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cccc(OC)c1OC ZINC000033358526 553956362 /nfs/dbraw/zinc/95/63/62/553956362.db2.gz VHUPSFHXAGRQMT-CLNXTWJPSA-N -1 0 636.682 4.911 50 0 KJAARM COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000033405876 553958985 /nfs/dbraw/zinc/95/89/85/553958985.db2.gz VYQJMTHVOPSRHB-LCFONKKUSA-N -1 0 508.571 4.709 50 0 KJAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000033408337 553958904 /nfs/dbraw/zinc/95/89/04/553958904.db2.gz GOMWXMHYXCEXEE-PDCDHKQXSA-N -1 0 519.395 4.588 50 0 KJAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000033429091 553959711 /nfs/dbraw/zinc/95/97/11/553959711.db2.gz OPAXLTNMTZCRFY-KCWPFWIISA-N -1 0 521.404 4.719 50 0 KJAARM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000034106904 553980670 /nfs/dbraw/zinc/98/06/70/553980670.db2.gz KUPDMOXEXZHXFC-SOFYXZRVSA-N -1 0 500.729 4.942 50 0 KJAARM COc1cc2c(c(Cl)c1O)Oc1c(Cl)c(O)c(OC)cc1C21OC(=O)c2cc(C(=O)[O-])ccc21 ZINC000034326616 553981220 /nfs/dbraw/zinc/98/12/20/553981220.db2.gz AVDYNPKNLYWWHE-UHFFFAOYSA-N -1 0 505.262 4.688 50 0 KJAARM CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C\c3ccc(OC)c(OC)c3)n2)cc1 ZINC000034387632 553981484 /nfs/dbraw/zinc/98/14/84/553981484.db2.gz ABYOVYKHAORECF-NTMALXAHSA-N -1 0 510.616 4.984 50 0 KJAARM COc1ccc(CCNC(=O)CCc2nnc(-c3ccc(OCc4cccc(Cl)c4)cc3)[n-]c2=O)cc1 ZINC000034763067 554002216 /nfs/dbraw/zinc/00/22/16/554002216.db2.gz LYALSQFYSLOXQS-UHFFFAOYSA-N -1 0 519.001 4.777 50 0 KJAARM O=C(CCc1nnc(-c2ccc(OCc3ccccc3Cl)cc2)[n-]c1=O)N1CCc2ccccc2C1 ZINC000034763418 554002606 /nfs/dbraw/zinc/00/26/06/554002606.db2.gz PDUOTKQZLOLUEV-UHFFFAOYSA-N -1 0 500.986 4.994 50 0 KJAARM CCOC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OCC)c2)C1=O ZINC000034764655 554002547 /nfs/dbraw/zinc/00/25/47/554002547.db2.gz NSAKLUYXCADHLO-ODLFYWEKSA-N -1 0 519.959 4.615 50 0 KJAARM COc1cc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)ccc1OCc1ccc(F)cc1 ZINC000034766379 554002637 /nfs/dbraw/zinc/00/26/37/554002637.db2.gz XKJKFVWJVRAHFD-UHFFFAOYSA-N -1 0 516.573 4.653 50 0 KJAARM COc1cc(-c2nnc(CCC(=O)NCc3cccc(F)c3)c(=O)[n-]2)ccc1OCc1cccc(Cl)c1 ZINC000034766538 554002541 /nfs/dbraw/zinc/00/25/41/554002541.db2.gz NQMXVAZAUUYWCM-UHFFFAOYSA-N -1 0 522.964 4.873 50 0 KJAARM COc1cc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[n-]2)ccc1OCc1cccc(F)c1 ZINC000034766606 554002630 /nfs/dbraw/zinc/00/26/30/554002630.db2.gz CPTOCXANYBJFKZ-SFHVURJKSA-N -1 0 502.546 4.781 50 0 KJAARM COc1cc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)c(=O)[n-]2)ccc1OCc1cccc(F)c1 ZINC000034766610 554002940 /nfs/dbraw/zinc/00/29/40/554002940.db2.gz CPTOCXANYBJFKZ-GOSISDBHSA-N -1 0 502.546 4.781 50 0 KJAARM COc1cc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)ccc1OCc1cccc(F)c1 ZINC000034766687 554002950 /nfs/dbraw/zinc/00/29/50/554002950.db2.gz BZLVMYBKBLTAIS-UHFFFAOYSA-N -1 0 516.573 4.653 50 0 KJAARM COc1cc(-c2nnc(CCC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)[n-]2)ccc1OCC1CCC1 ZINC000034767312 554002872 /nfs/dbraw/zinc/00/28/72/554002872.db2.gz OYRKVOKZDPDLBY-UHFFFAOYSA-N -1 0 516.642 4.846 50 0 KJAARM COc1cccc([C@@H]2NC(=O)N(Cc3ccccc3)[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1OC ZINC000034910883 554029148 /nfs/dbraw/zinc/02/91/48/554029148.db2.gz KPJUWBVQVFMEQP-NMMYMHLASA-N -1 0 520.529 4.782 50 0 KJAARM CCc1cccc2c(C3=C(c4c(=O)n(C)[n-]c4-c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)c[nH]c21 ZINC000034915869 554030208 /nfs/dbraw/zinc/03/02/08/554030208.db2.gz HWYMDNYNFYUKGA-AREMUKBSSA-N -1 0 502.574 4.858 50 0 KJAARM Cc1ccc(N2C(=O)C(c3c[nH]c4ccc(Cl)cc34)=C(c3c(=O)n(C)[n-]c3-c3ccccc3)C2=O)cc1 ZINC000034915871 554030046 /nfs/dbraw/zinc/03/00/46/554030046.db2.gz QFXDPOFSPMGVAQ-RUZDIDTESA-N -1 0 508.965 4.949 50 0 KJAARM CCCOc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c(OCCC)c1 ZINC000035241175 554042193 /nfs/dbraw/zinc/04/21/93/554042193.db2.gz XLMGXJSGPCRJLO-LQWHRVPQSA-N -1 0 502.580 4.595 50 0 KJAARM C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])c5ccccc5)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000035361498 554044273 /nfs/dbraw/zinc/04/42/73/554044273.db2.gz ANJVUOUTSWDMRC-QGTDUJMCSA-N -1 0 506.643 4.791 50 0 biogenic KJAARM CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)[O-])CC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000035361502 554044252 /nfs/dbraw/zinc/04/42/52/554044252.db2.gz ZYADXQOYYTYVCC-FBTKPHBWSA-N -1 0 542.717 4.649 50 0 biogenic KJAARM COc1ccccc1-c1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000035829417 554079678 /nfs/dbraw/zinc/07/96/78/554079678.db2.gz AJZOZJLJVPFDDU-IWIPYMOSSA-N -1 0 505.534 4.527 50 0 KJAARM COc1cccc(-c2[n-]n(-c3ccc(C)cc3)c(=O)c2C=C2NC(=O)N(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000035829418 554079722 /nfs/dbraw/zinc/07/97/22/554079722.db2.gz SOMGSUKVRQRTIQ-MYYYXRDXSA-N -1 0 505.534 4.527 50 0 KJAARM Cc1ccccc1-n1[n-]c(Cc2ccc(F)cc2)c(C=C2NC(=O)N(Cc3ccc(F)cc3)C2=O)c1=O ZINC000035829436 554079561 /nfs/dbraw/zinc/07/95/61/554079561.db2.gz WUEIIPMNNYYVRZ-IWIPYMOSSA-N -1 0 500.505 4.848 50 0 KJAARM COc1ccc(-n2[n-]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4ccc(C)cc4)C3=O)c2=O)cc1 ZINC000035829452 554079613 /nfs/dbraw/zinc/07/96/13/554079613.db2.gz YLWYOBVOEQEPDW-QQXSKIMKSA-N -1 0 512.541 4.718 50 0 KJAARM COc1ccc(-n2[n-]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4ccccc4C)C3=O)c2=O)cc1 ZINC000035829477 554079622 /nfs/dbraw/zinc/07/96/22/554079622.db2.gz BZOVQLMDRHRKQT-QQXSKIMKSA-N -1 0 512.541 4.718 50 0 KJAARM COc1ccc(-n2[n-]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4cccc(F)c4)C3=O)c2=O)cc1 ZINC000035829486 554079644 /nfs/dbraw/zinc/07/96/44/554079644.db2.gz BRBKSGVYPZRJJU-MYYYXRDXSA-N -1 0 516.504 4.548 50 0 KJAARM Cc1ccccc1-n1[n-]c(Cc2ccc(F)cc2)c(C=C2NC(=O)N(Cc3cccc(F)c3)C2=O)c1=O ZINC000035829487 554079731 /nfs/dbraw/zinc/07/97/31/554079731.db2.gz JTSNLSNHVKOTEO-IWIPYMOSSA-N -1 0 500.505 4.848 50 0 KJAARM Cc1ccccc1-n1[n-]c(Cc2ccc(F)cc2)c(C=C2NC(=O)N(Cc3c(F)cccc3F)C2=O)c1=O ZINC000035829503 554079663 /nfs/dbraw/zinc/07/96/63/554079663.db2.gz SQNBKLIZIRFLIV-OYKKKHCWSA-N -1 0 518.495 4.987 50 0 KJAARM Cc1ccccc1-n1[n-]c(Cc2ccc(F)cc2)c(C=C2NC(=O)N(Cc3ccc(F)c(F)c3)C2=O)c1=O ZINC000035829508 554079617 /nfs/dbraw/zinc/07/96/17/554079617.db2.gz YICZUIOURBYAQB-OYKKKHCWSA-N -1 0 518.495 4.987 50 0 KJAARM COc1ccccc1-c1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2F)C1=O ZINC000035829521 554079583 /nfs/dbraw/zinc/07/95/83/554079583.db2.gz NUEOBSSUBTWAAJ-UCQKPKSFSA-N -1 0 516.504 4.933 50 0 KJAARM Cc1ccccc1Cc1[n-]n(-c2ccccc2C)c(=O)c1C=C1NC(=O)N(Cc2cccc(C#N)c2)C1=O ZINC000035829537 554079572 /nfs/dbraw/zinc/07/95/72/554079572.db2.gz KPCMBWMQAIRJBU-QQXSKIMKSA-N -1 0 503.562 4.750 50 0 KJAARM Cc1ccccc1-n1[n-]c(Cc2ccc(F)cc2)c(C=C2NC(=O)N(Cc3ccccc3C#N)C2=O)c1=O ZINC000035829541 554079705 /nfs/dbraw/zinc/07/97/05/554079705.db2.gz JCJUIPAFGXRNPO-MYYYXRDXSA-N -1 0 507.525 4.581 50 0 KJAARM COc1ccccc1-c1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2F)C1=O ZINC000035829545 554079712 /nfs/dbraw/zinc/07/97/12/554079712.db2.gz LSTKNGOXXFMDJH-HMAPJEAMSA-N -1 0 516.504 4.933 50 0 KJAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C1=C(N(C)Cc2ccccc2)C(=O)N(c2ccccc2F)C1=O ZINC000035960830 554108851 /nfs/dbraw/zinc/10/88/51/554108851.db2.gz PLPHWNIQFPCAGR-UHFFFAOYSA-N -1 0 500.505 4.581 50 0 KJAARM [O-]c1c([C@@H](c2ccc(Cl)cc2Cl)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12 ZINC000036370423 554224199 /nfs/dbraw/zinc/22/41/99/554224199.db2.gz DABXRQFREPQCBE-QGZVFWFLSA-N -1 0 507.399 4.992 50 0 KJAARM [O-]c1c([C@H](c2ccc(Cl)cc2Cl)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12 ZINC000036370424 554224263 /nfs/dbraw/zinc/22/42/63/554224263.db2.gz DABXRQFREPQCBE-KRWDZBQOSA-N -1 0 507.399 4.992 50 0 KJAARM Cc1ccc(C2=C([O-])[C@H]3C(=C(O)c4ccc(Br)cc4)N4N=Cc5ccccc5[C@H]4C3=C2O)cc1 ZINC000037246253 554230966 /nfs/dbraw/zinc/23/09/66/554230966.db2.gz METUVYKPOPQCDB-GIDFYXQGSA-N -1 0 513.391 4.881 50 0 KJAARM Cc1coc2c1cc1c(C)c(CCC(=O)N3CCC(C(=O)NCCCC(=O)[O-])(c4ccccc4)CC3)c(=O)oc1c2C ZINC000038139904 554261666 /nfs/dbraw/zinc/26/16/66/554261666.db2.gz ZKCKJUQEFZPWRE-UHFFFAOYSA-N -1 0 572.658 4.938 50 0 KJAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000038139908 554261660 /nfs/dbraw/zinc/26/16/60/554261660.db2.gz OQKBDUNSLJADCU-UIOOFZCWSA-N -1 0 560.647 4.658 50 0 biogenic KJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCC(C(=O)NCCCCCC(=O)[O-])CC1)oc1c3CCCC1 ZINC000038139923 554261656 /nfs/dbraw/zinc/26/16/56/554261656.db2.gz MUTHFWKTJAVIIE-UHFFFAOYSA-N -1 0 550.652 4.659 50 0 KJAARM Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC[C@H]4C(=O)[O-])C(=O)N32)cc1 ZINC000038139932 554261856 /nfs/dbraw/zinc/26/18/56/554261856.db2.gz ZXKWIJYSLSNFLY-UNCTUWKVSA-N -1 0 548.599 4.648 50 0 biogenic KJAARM Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC[C@H]4C(=O)[O-])C(=O)N32)cc1 ZINC000038139933 554261896 /nfs/dbraw/zinc/26/18/96/554261896.db2.gz ZXKWIJYSLSNFLY-NSVAZKTRSA-N -1 0 548.599 4.648 50 0 biogenic KJAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O ZINC000038139959 554261898 /nfs/dbraw/zinc/26/18/98/554261898.db2.gz OPUJUXSZNVCDHY-KLJDGLGGSA-N -1 0 569.017 4.993 50 0 biogenic KJAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000038139960 554261927 /nfs/dbraw/zinc/26/19/27/554261927.db2.gz OPUJUXSZNVCDHY-OHSXHVKISA-N -1 0 569.017 4.993 50 0 biogenic KJAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O ZINC000038139962 554261940 /nfs/dbraw/zinc/26/19/40/554261940.db2.gz OPUJUXSZNVCDHY-OBDYRVMHSA-N -1 0 569.017 4.993 50 0 biogenic KJAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000038139963 554261909 /nfs/dbraw/zinc/26/19/09/554261909.db2.gz OPUJUXSZNVCDHY-CMTIAEDTSA-N -1 0 569.017 4.993 50 0 biogenic KJAARM COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC(C(=O)[O-])CC4)C(=O)N32)cc1 ZINC000038139977 554262236 /nfs/dbraw/zinc/26/22/36/554262236.db2.gz XKOGKUUHPBUVBF-LMSSTIIKSA-N -1 0 578.625 4.596 50 0 biogenic KJAARM COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC(C(=O)[O-])CC4)C(=O)N32)cc1 ZINC000038139978 554262232 /nfs/dbraw/zinc/26/22/32/554262232.db2.gz XKOGKUUHPBUVBF-YTMVLYRLSA-N -1 0 578.625 4.596 50 0 biogenic KJAARM COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC(C(=O)[O-])CC4)C(=O)N32)c1 ZINC000038139979 554262247 /nfs/dbraw/zinc/26/22/47/554262247.db2.gz YNEKLTQTLQODKL-LMSSTIIKSA-N -1 0 578.625 4.596 50 0 biogenic KJAARM COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC(C(=O)[O-])CC4)C(=O)N32)c1 ZINC000038139980 554262274 /nfs/dbraw/zinc/26/22/74/554262274.db2.gz YNEKLTQTLQODKL-YTMVLYRLSA-N -1 0 578.625 4.596 50 0 biogenic KJAARM Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC(C(=O)[O-])CC4)C(=O)N32)cc1 ZINC000038139981 554262287 /nfs/dbraw/zinc/26/22/87/554262287.db2.gz SHZFSEANVASGEO-LMSSTIIKSA-N -1 0 562.626 4.896 50 0 biogenic KJAARM Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC(C(=O)[O-])CC4)C(=O)N32)cc1 ZINC000038139982 554262295 /nfs/dbraw/zinc/26/22/95/554262295.db2.gz SHZFSEANVASGEO-YTMVLYRLSA-N -1 0 562.626 4.896 50 0 biogenic KJAARM Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC[C@@H]4C(=O)[O-])C(=O)N32)cc1 ZINC000038139985 554262298 /nfs/dbraw/zinc/26/22/98/554262298.db2.gz ZXKWIJYSLSNFLY-FULLSBAXSA-N -1 0 548.599 4.648 50 0 biogenic KJAARM Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N4CCC[C@@H]4C(=O)[O-])C(=O)N32)cc1 ZINC000038139986 554262261 /nfs/dbraw/zinc/26/22/61/554262261.db2.gz ZXKWIJYSLSNFLY-PBWSGDRGSA-N -1 0 548.599 4.648 50 0 biogenic KJAARM Cc1oc2c(cc3c(C)c(CCC(=O)N4CCC(C(=O)NCCC(=O)[O-])(c5ccccc5)CC4)c(=O)oc3c2C)c1C ZINC000038140500 554263941 /nfs/dbraw/zinc/26/39/41/554263941.db2.gz WDELCUXEWBVMCB-UHFFFAOYSA-N -1 0 572.658 4.857 50 0 KJAARM O=C([O-])c1cc(Br)ccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000038141365 554264715 /nfs/dbraw/zinc/26/47/15/554264715.db2.gz BTQVPFQZFLLHAZ-UHFFFAOYSA-N -1 0 524.396 4.636 50 0 KJAARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1O ZINC000038160089 554273684 /nfs/dbraw/zinc/27/36/84/554273684.db2.gz SFKVWKAAWRCTTB-NVNXTCNLSA-N -1 0 506.296 4.519 50 0 KJAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000038267795 554274707 /nfs/dbraw/zinc/27/47/07/554274707.db2.gz FKXWMMFJHPKYOC-RMKNXTFCSA-N -1 0 520.058 4.919 50 0 KJAARM O=C([O-])[C@@H](Cc1cccc(I)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038528891 554274907 /nfs/dbraw/zinc/27/49/07/554274907.db2.gz SSKOJXLIQFVOGC-JOCHJYFZSA-N -1 0 513.331 4.826 50 0 KJAARM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(Br)cc3C)cc21 ZINC000040450331 554285229 /nfs/dbraw/zinc/28/52/29/554285229.db2.gz QNOJPUTWJACGJL-UHFFFAOYSA-N -1 0 502.228 4.620 50 0 KJAARM Cc1cc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)ccc1Br ZINC000040450395 554285175 /nfs/dbraw/zinc/28/51/75/554285175.db2.gz NWMYKKHSJYXTKK-UHFFFAOYSA-N -1 0 514.239 4.620 50 0 KJAARM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450497 554285548 /nfs/dbraw/zinc/28/55/48/554285548.db2.gz UWBMKSBEKQHGBT-UHFFFAOYSA-N -1 0 514.239 4.620 50 0 KJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c(Br)cc2C[C@@H]1C ZINC000040450562 554285435 /nfs/dbraw/zinc/28/54/35/554285435.db2.gz PLAKNZXGIUJXBT-NSHDSACASA-N -1 0 502.228 4.618 50 0 KJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c(Br)cc2C[C@H]1C ZINC000040450563 554285473 /nfs/dbraw/zinc/28/54/73/554285473.db2.gz PLAKNZXGIUJXBT-LLVKDONJSA-N -1 0 502.228 4.618 50 0 KJAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 ZINC000040459001 554286588 /nfs/dbraw/zinc/28/65/88/554286588.db2.gz AICYEHUKGMJORK-UHFFFAOYSA-N -1 0 516.501 4.833 50 0 KJAARM Cc1ccc(-c2nsc([N-]C(=O)c3ccc(S(=O)(=O)c4ccc(Br)cc4)o3)n2)cc1 ZINC000041154422 554295877 /nfs/dbraw/zinc/29/58/77/554295877.db2.gz DIPWEIQQFXATIO-UHFFFAOYSA-N -1 0 504.387 4.954 50 0 KJAARM COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000043208634 554298342 /nfs/dbraw/zinc/29/83/42/554298342.db2.gz CGBJSGAELGCMKE-UHFFFAOYSA-N -1 0 505.506 4.841 50 0 investigational KJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(Br)s3)c(Sc3ccccc3)cc2n(C)c1=O ZINC000045941001 554316370 /nfs/dbraw/zinc/31/63/70/554316370.db2.gz GWEZMUBOPNIANF-UHFFFAOYSA-N -1 0 510.460 4.653 50 0 KJAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(Cl)c3)[n-]c2=O)cc1 ZINC000046016356 554318849 /nfs/dbraw/zinc/31/88/49/554318849.db2.gz OOPRXWWFZZIIHA-UHFFFAOYSA-N -1 0 506.049 4.638 50 0 KJAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(Cl)ccc3C)[n-]c2=O)cc1 ZINC000046016361 554318835 /nfs/dbraw/zinc/31/88/35/554318835.db2.gz CYIGUZBASUYLOW-UHFFFAOYSA-N -1 0 506.049 4.638 50 0 KJAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3Cl)[n-]c2=O)cc1 ZINC000046016374 554318820 /nfs/dbraw/zinc/31/88/20/554318820.db2.gz MXHDUUPXOOANMS-UHFFFAOYSA-N -1 0 506.049 4.638 50 0 KJAARM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3C)[n-]c2=O)cc1 ZINC000046016380 554318746 /nfs/dbraw/zinc/31/87/46/554318746.db2.gz FHLVBBCNJPONPH-UHFFFAOYSA-N -1 0 506.049 4.638 50 0 KJAARM CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C=O)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000049538616 554323396 /nfs/dbraw/zinc/32/33/96/554323396.db2.gz BBNQHOMJRFAQBN-SSJZMWBASA-N -1 0 725.788 4.567 50 0 KJAARM CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](Cc1ccc(OS(=O)(=O)c2cccc3c2cccc3N(C)C)cc1)C(=O)[O-] ZINC000053684190 554348802 /nfs/dbraw/zinc/34/88/02/554348802.db2.gz LUBOPDUYHWABFG-MUUNZHRXSA-N -1 0 647.775 4.867 50 0 in-vivo KJAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1OC ZINC000059199586 554385044 /nfs/dbraw/zinc/38/50/44/554385044.db2.gz FTXKKUCPJWNVMK-UHFFFAOYSA-N -1 0 524.378 4.522 50 0 KJAARM CCOc1cc(/C=C/C(=O)[O-])c(Br)c(Br)c1OCC(=O)Nc1ccccc1OC ZINC000059222218 554385789 /nfs/dbraw/zinc/38/57/89/554385789.db2.gz AQUUHBDZBZMNRN-CMDGGOBGSA-N -1 0 529.181 4.734 50 0 KJAARM CCCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1OCC(=O)[O-])Nc1ccc(Br)cc1-2 ZINC000059513613 554400811 /nfs/dbraw/zinc/40/08/11/554400811.db2.gz DLILKBWDDFGUCL-FQEVSTJZSA-N -1 0 533.404 4.778 50 0 KJAARM CCCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1OCC(=O)[O-])Nc1ccc(Br)cc1-2 ZINC000059513614 554401050 /nfs/dbraw/zinc/40/10/50/554401050.db2.gz DLILKBWDDFGUCL-HXUWFJFHSA-N -1 0 533.404 4.778 50 0 KJAARM O=C(c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000059513784 554401031 /nfs/dbraw/zinc/40/10/31/554401031.db2.gz DHWBXQKYAGTZAN-UHFFFAOYSA-N -1 0 568.577 4.817 50 0 KJAARM O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1)N1CCN(c2ccccc2)CC1 ZINC000059514970 554401784 /nfs/dbraw/zinc/40/17/84/554401784.db2.gz INQBYHDQLLOXAV-UHFFFAOYSA-N -1 0 535.467 4.832 50 0 KJAARM Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cn3c(=O)c4cc(N5CCOCC5)ccc4[n-]c3=S)cc2)CC1 ZINC000059515162 554402540 /nfs/dbraw/zinc/40/25/40/554402540.db2.gz UIQPZZDHOYBHGR-UHFFFAOYSA-N -1 0 590.149 4.868 50 0 KJAARM CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000059522872 554404043 /nfs/dbraw/zinc/40/40/43/554404043.db2.gz HQOADJDXZQQPQN-UHFFFAOYSA-N -1 0 573.741 4.737 50 0 KJAARM COc1ccccc1N1CCN(C(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[n-]c3=S)cc2)CC1 ZINC000059525142 554406140 /nfs/dbraw/zinc/40/61/40/554406140.db2.gz FBUVZOQOWWEZNP-UHFFFAOYSA-N -1 0 565.493 4.841 50 0 KJAARM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)N1CCN(c2ccc(F)cc2)CC1 ZINC000059525145 554406156 /nfs/dbraw/zinc/40/61/56/554406156.db2.gz AFOGERKVCMQSIS-UHFFFAOYSA-N -1 0 533.467 4.870 50 0 KJAARM O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000059525169 554406181 /nfs/dbraw/zinc/40/61/81/554406181.db2.gz VCWKHESDBYBYAE-UHFFFAOYSA-N -1 0 548.587 4.716 50 0 KJAARM O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000059525171 554406173 /nfs/dbraw/zinc/40/61/73/554406173.db2.gz RWQRGZPPNLJVET-UHFFFAOYSA-N -1 0 589.684 4.824 50 0 KJAARM O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000059525607 554406502 /nfs/dbraw/zinc/40/65/02/554406502.db2.gz ROWZDAAYQIPPJZ-UHFFFAOYSA-N -1 0 549.494 4.828 50 0 KJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000059587585 554407923 /nfs/dbraw/zinc/40/79/23/554407923.db2.gz LRXVVBWXTNFNEG-RGEXLXHISA-N -1 0 528.999 4.600 50 0 KJAARM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059617022 554413303 /nfs/dbraw/zinc/41/33/03/554413303.db2.gz AKLSWBRLOAPUED-UHFFFAOYSA-N -1 0 563.082 4.675 50 0 KJAARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)c(OC)c1 ZINC000059620871 554414499 /nfs/dbraw/zinc/41/44/99/554414499.db2.gz CZCJDXJADDKYGV-UHFFFAOYSA-N -1 0 581.672 4.866 50 0 KJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1nc(SCc2ccccc2)ncc1Cl ZINC000059626950 554415232 /nfs/dbraw/zinc/41/52/32/554415232.db2.gz ZANZKKXQOBPFCQ-UHFFFAOYSA-N -1 0 518.045 4.932 50 0 KJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3nc(SCc4ccccc4)ncc3Cl)cc2)nc(C)n1 ZINC000059630561 554416157 /nfs/dbraw/zinc/41/61/57/554416157.db2.gz ZNEXISSGYNBFGI-UHFFFAOYSA-N -1 0 541.058 4.882 50 0 KJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)c1 ZINC000059630850 554416408 /nfs/dbraw/zinc/41/64/08/554416408.db2.gz IRHHOMAWESLTMU-UHFFFAOYSA-N -1 0 581.672 4.866 50 0 KJAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(Br)s1 ZINC000059651111 554417942 /nfs/dbraw/zinc/41/79/42/554417942.db2.gz PFAIBFFUKUIFKG-UHFFFAOYSA-N -1 0 552.291 4.875 50 0 KJAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2Cl)c1 ZINC000059652622 554420165 /nfs/dbraw/zinc/42/01/65/554420165.db2.gz BJEVREBBZJDMGN-UHFFFAOYSA-N -1 0 548.086 4.794 50 0 KJAARM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000059652626 554420094 /nfs/dbraw/zinc/42/00/94/554420094.db2.gz RCVICFBUROHSEH-UHFFFAOYSA-N -1 0 577.109 4.740 50 0 KJAARM O=C(CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000059821735 554431474 /nfs/dbraw/zinc/43/14/74/554431474.db2.gz UNPVFRUNGXFLDN-QGOAFFKASA-N -1 0 549.055 4.662 50 0 KJAARM CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000060045031 554497586 /nfs/dbraw/zinc/49/75/86/554497586.db2.gz HJIMPRLRKSPHCA-DEOSSOPVSA-N -1 0 564.660 4.666 50 0 KJAARM Nc1c(I)cc(I)c(CCCCCCC(=O)[O-])c1I ZINC000060122122 554502225 /nfs/dbraw/zinc/50/22/25/554502225.db2.gz YUJKNWWQPGSEKH-UHFFFAOYSA-N -1 0 598.988 4.660 50 0 KJAARM CCOc1ccc2nc(N3CCN(C(=O)c4ccccc4[N-]S(=O)(=O)c4ccc(C)cc4)CC3)sc2c1 ZINC000060277096 554504990 /nfs/dbraw/zinc/50/49/90/554504990.db2.gz WMPFKYLQFBZUAH-UHFFFAOYSA-N -1 0 536.679 4.767 50 0 KJAARM CCOc1cccc2sc(N3CCN(C(=O)c4ccccc4[N-]S(=O)(=O)c4ccc(C)cc4)CC3)nc21 ZINC000060277639 554504967 /nfs/dbraw/zinc/50/49/67/554504967.db2.gz QLEAPXGJCBYRAI-UHFFFAOYSA-N -1 0 536.679 4.767 50 0 KJAARM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(SC)cc2)cc1 ZINC000064557888 554511640 /nfs/dbraw/zinc/51/16/40/554511640.db2.gz FNOYJFLLWLNHMM-JOCHJYFZSA-N -1 0 509.605 4.917 50 0 KJAARM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(SC)cc2)cc1 ZINC000064557890 554511744 /nfs/dbraw/zinc/51/17/44/554511744.db2.gz FNOYJFLLWLNHMM-QFIPXVFZSA-N -1 0 509.605 4.917 50 0 KJAARM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000064557905 554511628 /nfs/dbraw/zinc/51/16/28/554511628.db2.gz ILMWXHDVVAGJNM-HSZRJFAPSA-N -1 0 507.564 4.593 50 0 KJAARM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000064557907 554511670 /nfs/dbraw/zinc/51/16/70/554511670.db2.gz ILMWXHDVVAGJNM-QHCPKHFHSA-N -1 0 507.564 4.593 50 0 KJAARM COc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064557928 554511610 /nfs/dbraw/zinc/51/16/10/554511610.db2.gz GFLASHFOVNLCIN-HXUWFJFHSA-N -1 0 500.370 4.789 50 0 KJAARM COc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064557930 554511720 /nfs/dbraw/zinc/51/17/20/554511720.db2.gz GFLASHFOVNLCIN-FQEVSTJZSA-N -1 0 500.370 4.789 50 0 KJAARM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000066124108 554528878 /nfs/dbraw/zinc/52/88/78/554528878.db2.gz ODVSFTLQLIGOFB-KOBOZNMDSA-N -1 0 620.639 4.623 50 0 KJAARM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000066124110 554528918 /nfs/dbraw/zinc/52/89/18/554528918.db2.gz ODVSFTLQLIGOFB-OGEXXFCLSA-N -1 0 620.639 4.623 50 0 KJAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](Cc5ccccc5)C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070680425 553604372 /nfs/dbraw/zinc/60/43/72/553604372.db2.gz QOXQKEFDMRHFRC-ZSPNOZDZSA-N -1 0 631.814 4.639 50 0 KJAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](Cc5ccccc5)C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070680436 553604386 /nfs/dbraw/zinc/60/43/86/553604386.db2.gz QOXQKEFDMRHFRC-KVWHQCTDSA-N -1 0 631.814 4.639 50 0 KJAARM COc1cc2c(cc1OC)[C@H](C)N(C(=O)CSC1=NC(=O)C(C(c3ccccc3)c3ccccc3)C([O-])=N1)CC2 ZINC000070681030 553604891 /nfs/dbraw/zinc/60/48/91/553604891.db2.gz RIELSUKFADYCKC-IBGZPJMESA-N -1 0 557.672 4.911 50 0 biogenic KJAARM CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC(=O)[O-])C(=O)N32)cc1 ZINC000070699730 553616938 /nfs/dbraw/zinc/61/69/38/553616938.db2.gz MGKVVXLIPLCQHL-LBNVMWSVSA-N -1 0 536.588 4.589 50 0 biogenic KJAARM CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC(=O)[O-])C(=O)N32)cc1 ZINC000070699734 553616912 /nfs/dbraw/zinc/61/69/12/553616912.db2.gz MGKVVXLIPLCQHL-LSYYVWMOSA-N -1 0 536.588 4.589 50 0 biogenic KJAARM C[C@@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070699736 553616928 /nfs/dbraw/zinc/61/69/28/553616928.db2.gz JCNLHCQPZWWHQO-JQRIVJTKSA-N -1 0 542.979 4.507 50 0 biogenic KJAARM C[C@@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070699739 553616861 /nfs/dbraw/zinc/61/68/61/553616861.db2.gz JCNLHCQPZWWHQO-AWKKRCEGSA-N -1 0 542.979 4.507 50 0 biogenic KJAARM CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])[C@H](O)c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070699880 553617366 /nfs/dbraw/zinc/61/73/66/553617366.db2.gz XILLHXCTVDJURI-QADFNXHISA-N -1 0 595.693 4.738 50 0 KJAARM C[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070700679 553619126 /nfs/dbraw/zinc/61/91/26/553619126.db2.gz JCNLHCQPZWWHQO-RKPBBICVSA-N -1 0 542.979 4.507 50 0 biogenic KJAARM C[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070700682 553619197 /nfs/dbraw/zinc/61/91/97/553619197.db2.gz JCNLHCQPZWWHQO-LMDNVDAOSA-N -1 0 542.979 4.507 50 0 biogenic KJAARM CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000070701546 553622306 /nfs/dbraw/zinc/62/23/06/553622306.db2.gz NBWLCAPFQGXOGJ-ICTDUYRTSA-N -1 0 577.722 4.524 50 0 biogenic KJAARM CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000070701548 553622292 /nfs/dbraw/zinc/62/22/92/553622292.db2.gz NBWLCAPFQGXOGJ-CAVYSCNFSA-N -1 0 577.722 4.524 50 0 biogenic KJAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@H](C(=O)N[C@@H](CSCc4ccccc4)C(=O)[O-])C(C)C)c(=O)oc3c2C)c1C ZINC000070704728 553623579 /nfs/dbraw/zinc/62/35/79/553623579.db2.gz DQSFJSGTCYTDJN-BDYUSTAISA-N -1 0 592.714 4.959 50 0 biogenic KJAARM CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C)C(=O)[O-])C(=O)N32)cc1 ZINC000070704776 553623788 /nfs/dbraw/zinc/62/37/88/553623788.db2.gz KFLSBOWSGYHNDA-YFCOXDMTSA-N -1 0 550.615 4.977 50 0 biogenic KJAARM CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C)C(=O)[O-])C(=O)N32)cc1 ZINC000070704777 553623802 /nfs/dbraw/zinc/62/38/02/553623802.db2.gz KFLSBOWSGYHNDA-WEMJSJANSA-N -1 0 550.615 4.977 50 0 biogenic KJAARM CSC[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(C)cc3)N2C1=O)C(=O)[O-] ZINC000070704924 553623983 /nfs/dbraw/zinc/62/39/83/553623983.db2.gz GPEQRJREUHYPPF-SCTDOJESSA-N -1 0 568.655 4.505 50 0 biogenic KJAARM CSC[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(C)cc3)N2C1=O)C(=O)[O-] ZINC000070704927 553624088 /nfs/dbraw/zinc/62/40/88/553624088.db2.gz GPEQRJREUHYPPF-RMDSEJHCSA-N -1 0 568.655 4.505 50 0 biogenic KJAARM COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](CC(C)C)C(=O)[O-])C(=O)N32)c1 ZINC000070704937 553624038 /nfs/dbraw/zinc/62/40/38/553624038.db2.gz AAQMEKVMBSHQSI-WBJKNQCFSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](CC(C)C)C(=O)[O-])C(=O)N32)c1 ZINC000070704940 553624006 /nfs/dbraw/zinc/62/40/06/553624006.db2.gz AAQMEKVMBSHQSI-WGHVJBFBSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM CC[C@@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(OC)cc3)N2C1=O)C(=O)[O-] ZINC000070705007 553624300 /nfs/dbraw/zinc/62/43/00/553624300.db2.gz LOTHQIOSNMJAEY-XHAZDJPGSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM CC[C@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(OC)cc3)N2C1=O)C(=O)[O-] ZINC000070705010 553624267 /nfs/dbraw/zinc/62/42/67/553624267.db2.gz LOTHQIOSNMJAEY-VWENNTDVSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM CC[C@@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(OC)cc3)N2C1=O)C(=O)[O-] ZINC000070705014 553624279 /nfs/dbraw/zinc/62/42/79/553624279.db2.gz LOTHQIOSNMJAEY-PSHDZPGLSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM CC[C@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(OC)cc3)N2C1=O)C(=O)[O-] ZINC000070705018 553624323 /nfs/dbraw/zinc/62/43/23/553624323.db2.gz LOTHQIOSNMJAEY-YSLVSLGOSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM CSCC[C@@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(C)cc3)N2C1=O)C(=O)[O-] ZINC000070705347 553625216 /nfs/dbraw/zinc/62/52/16/553625216.db2.gz ORRDPIAVOQQSSR-MAARLIENSA-N -1 0 582.682 4.895 50 0 biogenic KJAARM CSCC[C@@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(C)cc3)N2C1=O)C(=O)[O-] ZINC000070705350 553625183 /nfs/dbraw/zinc/62/51/83/553625183.db2.gz ORRDPIAVOQQSSR-XDIPAPSNSA-N -1 0 582.682 4.895 50 0 biogenic KJAARM CC[C@@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(OC)c3)N2C1=O)C(=O)[O-] ZINC000070705725 553626149 /nfs/dbraw/zinc/62/61/49/553626149.db2.gz LQXURSIVSZMJHU-XHAZDJPGSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM CC[C@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(OC)c3)N2C1=O)C(=O)[O-] ZINC000070705728 553626202 /nfs/dbraw/zinc/62/62/02/553626202.db2.gz LQXURSIVSZMJHU-VWENNTDVSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM CC[C@@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(OC)c3)N2C1=O)C(=O)[O-] ZINC000070705731 553626186 /nfs/dbraw/zinc/62/61/86/553626186.db2.gz LQXURSIVSZMJHU-PSHDZPGLSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM CC[C@H](C)[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(OC)c3)N2C1=O)C(=O)[O-] ZINC000070705733 553626165 /nfs/dbraw/zinc/62/61/65/553626165.db2.gz LQXURSIVSZMJHU-YSLVSLGOSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM CSC[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070706193 553627454 /nfs/dbraw/zinc/62/74/54/553627454.db2.gz WWTXBBQCXXKCMC-GVUKDKGQSA-N -1 0 589.073 4.850 50 0 biogenic KJAARM CSC[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-] ZINC000070706199 553627484 /nfs/dbraw/zinc/62/74/84/553627484.db2.gz WWTXBBQCXXKCMC-LLZJGCNPSA-N -1 0 589.073 4.850 50 0 biogenic KJAARM COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)N32)c1 ZINC000070706265 553627476 /nfs/dbraw/zinc/62/74/76/553627476.db2.gz AAQMEKVMBSHQSI-RWPDHJIBSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)N32)c1 ZINC000070706269 553627478 /nfs/dbraw/zinc/62/74/78/553627478.db2.gz AAQMEKVMBSHQSI-MDZVADFISA-N -1 0 580.641 4.889 50 0 biogenic KJAARM Cc1oc2cc3oc(=O)c(CCC(=O)NCCCCCC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])c(C)c3cc2c1C ZINC000070706333 553627682 /nfs/dbraw/zinc/62/76/82/553627682.db2.gz DBHQQURTCIJTMF-SANMLTNESA-N -1 0 560.647 4.886 50 0 biogenic KJAARM CSCC[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(C)cc3)N2C1=O)C(=O)[O-] ZINC000070706767 553628820 /nfs/dbraw/zinc/62/88/20/553628820.db2.gz ORRDPIAVOQQSSR-GYGTVUFYSA-N -1 0 582.682 4.895 50 0 biogenic KJAARM CSCC[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(C)cc3)N2C1=O)C(=O)[O-] ZINC000070706770 553628767 /nfs/dbraw/zinc/62/87/67/553628767.db2.gz ORRDPIAVOQQSSR-MPYJOUPCSA-N -1 0 582.682 4.895 50 0 biogenic KJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])occ3-c1ccccc1 ZINC000070706906 553629323 /nfs/dbraw/zinc/62/93/23/553629323.db2.gz DPOVBFXREPDLHD-MHZLTWQESA-N -1 0 566.610 4.766 50 0 biogenic KJAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](C)C(=O)[O-])c(=O)oc12 ZINC000070706928 553629362 /nfs/dbraw/zinc/62/93/62/553629362.db2.gz KPMZCUIKKDNKIV-QYBDOPJKSA-N -1 0 585.657 4.794 50 0 biogenic KJAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)NCCCC(=O)[O-])c(C)c3cc2c1C ZINC000070707004 553629596 /nfs/dbraw/zinc/62/95/96/553629596.db2.gz QGLMYATXEOPBMA-DEOSSOPVSA-N -1 0 567.038 4.759 50 0 biogenic KJAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)NCCCC(=O)[O-])c(C)c3cc2c1C ZINC000070707011 553629599 /nfs/dbraw/zinc/62/95/99/553629599.db2.gz QGLMYATXEOPBMA-XMMPIXPASA-N -1 0 567.038 4.759 50 0 biogenic KJAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)NCCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000070707020 553629612 /nfs/dbraw/zinc/62/96/12/553629612.db2.gz TVHPPFMRSDWPCF-AREMUKBSSA-N -1 0 571.630 4.505 50 0 biogenic KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])occ3-c1ccccc1 ZINC000070707107 553629967 /nfs/dbraw/zinc/62/99/67/553629967.db2.gz VPNOZTRYNDAGRY-MHZLTWQESA-N -1 0 566.610 4.766 50 0 biogenic KJAARM COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)N32)cc1 ZINC000070707148 553629943 /nfs/dbraw/zinc/62/99/43/553629943.db2.gz FFLHZMDDPFCXPO-RWPDHJIBSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)N32)cc1 ZINC000070707151 553629957 /nfs/dbraw/zinc/62/99/57/553629957.db2.gz FFLHZMDDPFCXPO-MDZVADFISA-N -1 0 580.641 4.889 50 0 biogenic KJAARM COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CCSC)C(=O)[O-])C(=O)N32)cc1 ZINC000070707172 553630214 /nfs/dbraw/zinc/63/02/14/553630214.db2.gz PWNUYYGIBZFDGP-GYGTVUFYSA-N -1 0 598.681 4.596 50 0 biogenic KJAARM COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CCSC)C(=O)[O-])C(=O)N32)cc1 ZINC000070707173 553630247 /nfs/dbraw/zinc/63/02/47/553630247.db2.gz PWNUYYGIBZFDGP-MPYJOUPCSA-N -1 0 598.681 4.596 50 0 biogenic KJAARM CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C)C(=O)[O-])C(=O)N32)cc1 ZINC000070707203 553630197 /nfs/dbraw/zinc/63/01/97/553630197.db2.gz KFLSBOWSGYHNDA-OGPKSRJFSA-N -1 0 550.615 4.977 50 0 biogenic KJAARM CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C)C(=O)[O-])C(=O)N32)cc1 ZINC000070707205 553630250 /nfs/dbraw/zinc/63/02/50/553630250.db2.gz KFLSBOWSGYHNDA-IFCRBKQASA-N -1 0 550.615 4.977 50 0 biogenic KJAARM Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])C(C)C)C(=O)N32)cc1 ZINC000070707277 553630485 /nfs/dbraw/zinc/63/04/85/553630485.db2.gz ZXIQOJZQGBMQPJ-UNCTUWKVSA-N -1 0 550.615 4.798 50 0 biogenic KJAARM Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])C(C)C)C(=O)N32)cc1 ZINC000070707283 553630411 /nfs/dbraw/zinc/63/04/11/553630411.db2.gz ZXIQOJZQGBMQPJ-NSVAZKTRSA-N -1 0 550.615 4.798 50 0 biogenic KJAARM COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](CC(C)C)C(=O)[O-])C(=O)N32)cc1 ZINC000070707606 553631241 /nfs/dbraw/zinc/63/12/41/553631241.db2.gz FFLHZMDDPFCXPO-WBJKNQCFSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](CC(C)C)C(=O)[O-])C(=O)N32)cc1 ZINC000070707609 553631227 /nfs/dbraw/zinc/63/12/27/553631227.db2.gz FFLHZMDDPFCXPO-WGHVJBFBSA-N -1 0 580.641 4.889 50 0 biogenic KJAARM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3NC(=O)CSc3ncccc3C(=O)[O-])c2cc1OC ZINC000071418212 553636185 /nfs/dbraw/zinc/63/61/85/553636185.db2.gz BJVAIYSAEBZQNS-UHFFFAOYSA-N -1 0 549.605 4.684 50 0 biogenic,in-vitro KJAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071788112 553637722 /nfs/dbraw/zinc/63/77/22/553637722.db2.gz KZPTXQVSHOISSL-KYJUHHDHSA-N -1 0 534.612 4.949 50 0 KJAARM CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000071788185 553638058 /nfs/dbraw/zinc/63/80/58/553638058.db2.gz DVXQNNYVNXVLDP-MSFWWKAZSA-N -1 0 554.640 4.849 50 0 KJAARM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc1ccc2ccccc2c1 ZINC000071788437 553639339 /nfs/dbraw/zinc/63/93/39/553639339.db2.gz MIYHULQEZFNUGE-DTXPUJKBSA-N -1 0 632.758 5.000 50 0 KJAARM NC(=NC(=O)OCc1ccccc1)N(CCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])C(=O)OCc1ccccc1 ZINC000072099795 553640060 /nfs/dbraw/zinc/64/00/60/553640060.db2.gz YSGAXJCIEJGVFV-VWLOTQADSA-N -1 0 576.606 4.646 50 0 KJAARM O=C([O-])[C@@H](Cc1ccccc1I)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000074937993 553654203 /nfs/dbraw/zinc/65/42/03/553654203.db2.gz YMKDZEDXFIXGNK-JOCHJYFZSA-N -1 0 513.331 4.826 50 0 KJAARM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1ccccc1OCC(=O)[O-])CC(=O)O3 ZINC000079193936 553668985 /nfs/dbraw/zinc/66/89/85/553668985.db2.gz WGDQYZNWTBNEKJ-AVZDTCQSSA-N -1 0 522.550 4.778 50 0 KJAARM C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@@H](c1ccccc1OCC(=O)[O-])CC(=O)O3 ZINC000079193945 553669056 /nfs/dbraw/zinc/66/90/56/553669056.db2.gz WGDQYZNWTBNEKJ-QFUYHPTKSA-N -1 0 522.550 4.778 50 0 KJAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)N[C@H](CC(=O)[O-])[C@@H]5CCOC(C)(C)C5)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000079212748 553670392 /nfs/dbraw/zinc/67/03/92/553670392.db2.gz KQOPKFIJUXNNOY-CWCLUGLXSA-N -1 0 667.888 4.992 50 0 KJAARM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000079221200 553671898 /nfs/dbraw/zinc/67/18/98/553671898.db2.gz ZEOALPPNSFEECQ-XRYBSVISSA-N -1 0 692.850 4.833 50 0 biogenic KJAARM C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000079221206 553671928 /nfs/dbraw/zinc/67/19/28/553671928.db2.gz ZEOALPPNSFEECQ-NCIWWBJRSA-N -1 0 692.850 4.833 50 0 biogenic KJAARM C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000079221219 553671934 /nfs/dbraw/zinc/67/19/34/553671934.db2.gz ZEOALPPNSFEECQ-AGMCMMBCSA-N -1 0 692.850 4.833 50 0 biogenic KJAARM C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000079221502 553671904 /nfs/dbraw/zinc/67/19/04/553671904.db2.gz IDSULYHNJGZXKY-QBRMIADOSA-N -1 0 706.877 4.631 50 0 biogenic KJAARM C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000079221512 553671876 /nfs/dbraw/zinc/67/18/76/553671876.db2.gz IDSULYHNJGZXKY-QWBBBALCSA-N -1 0 706.877 4.631 50 0 biogenic KJAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2-n2ccc(=NC(=O)c3ccccc3C)cc2)cc1 ZINC000081049005 553673479 /nfs/dbraw/zinc/67/34/79/553673479.db2.gz NEBIPZDPJZBUOW-UHFFFAOYSA-N -1 0 539.617 4.670 50 0 KJAARM CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084668739 553677870 /nfs/dbraw/zinc/67/78/70/553677870.db2.gz JFOZKMSJYSPYLN-QHCPKHFHSA-N -1 0 615.491 4.767 50 0 fda KJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc(OC)c(OC(C)=O)c(OC)c3)CC(=O)O4)c2=O)cc1 ZINC000085875933 553688476 /nfs/dbraw/zinc/68/84/76/553688476.db2.gz YKVMYRXASNYIPJ-SFHVURJKSA-N -1 0 532.501 4.558 50 0 biogenic KJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc(OC)c(OC(C)=O)c(OC)c3)CC(=O)O4)c2=O)cc1 ZINC000085875936 553688389 /nfs/dbraw/zinc/68/83/89/553688389.db2.gz YKVMYRXASNYIPJ-GOSISDBHSA-N -1 0 532.501 4.558 50 0 biogenic KJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(OC)c(OC)c3OC)CC(=O)O4)c2=O)cc1 ZINC000085876944 553689024 /nfs/dbraw/zinc/68/90/24/553689024.db2.gz GGFMXSAIZQIOFQ-KRWDZBQOSA-N -1 0 504.491 4.641 50 0 biogenic KJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(OC)c(OC)c3OC)CC(=O)O4)c2=O)cc1 ZINC000085876950 553688832 /nfs/dbraw/zinc/68/88/32/553688832.db2.gz GGFMXSAIZQIOFQ-QGZVFWFLSA-N -1 0 504.491 4.641 50 0 biogenic KJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)O4)c2=O)cc1 ZINC000085877319 553689362 /nfs/dbraw/zinc/68/93/62/553689362.db2.gz JFVVQUNXJXHPDR-KRWDZBQOSA-N -1 0 504.491 4.641 50 0 biogenic KJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc(OC)c(OC)c(OC)c3)CC(=O)O4)c2=O)cc1 ZINC000085877327 553689291 /nfs/dbraw/zinc/68/92/91/553689291.db2.gz JFVVQUNXJXHPDR-QGZVFWFLSA-N -1 0 504.491 4.641 50 0 biogenic KJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3coc5ccc(OC)cc5c3=O)CC(=O)O4)c2=O)cc1 ZINC000085878430 553689662 /nfs/dbraw/zinc/68/96/62/553689662.db2.gz GLZKITASFGBKCS-KRWDZBQOSA-N -1 0 512.470 4.730 50 0 biogenic KJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3coc5ccc(OC)cc5c3=O)CC(=O)O4)c2=O)cc1 ZINC000085878434 553689687 /nfs/dbraw/zinc/68/96/87/553689687.db2.gz GLZKITASFGBKCS-QGZVFWFLSA-N -1 0 512.470 4.730 50 0 biogenic KJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc(OC)c(OC)cc3OC)CC(=O)O4)c2=O)cc1 ZINC000085879160 553689755 /nfs/dbraw/zinc/68/97/55/553689755.db2.gz AKYLNLHWZLXLBU-KRWDZBQOSA-N -1 0 504.491 4.641 50 0 biogenic KJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc(OC)c(OC)cc3OC)CC(=O)O4)c2=O)cc1 ZINC000085879165 553689788 /nfs/dbraw/zinc/68/97/88/553689788.db2.gz AKYLNLHWZLXLBU-QGZVFWFLSA-N -1 0 504.491 4.641 50 0 biogenic KJAARM CCOc1ccccc1N1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000089271995 553693823 /nfs/dbraw/zinc/69/38/23/553693823.db2.gz FDKMFDQYVXJVLT-UHFFFAOYSA-N -1 0 506.049 4.563 50 0 KJAARM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@H]1c1ccccn1 ZINC000095532153 553702719 /nfs/dbraw/zinc/70/27/19/553702719.db2.gz PRUOUNFSFWXGJO-QFIPXVFZSA-N -1 0 500.942 4.786 50 0 KJAARM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@@H]1c1ccccn1 ZINC000095532154 553702716 /nfs/dbraw/zinc/70/27/16/553702716.db2.gz PRUOUNFSFWXGJO-JOCHJYFZSA-N -1 0 500.942 4.786 50 0 KJAARM COc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)nnc2-c2cccs2)cc1 ZINC000095605364 553705567 /nfs/dbraw/zinc/70/55/67/553705567.db2.gz FAMIJLWVEKBDSE-UHFFFAOYSA-N -1 0 584.730 4.993 50 0 KJAARM O=C([O-])CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O ZINC000095698407 553708762 /nfs/dbraw/zinc/70/87/62/553708762.db2.gz WCXYOLGTVDFYTE-SSEXGKCCSA-N -1 0 531.568 4.820 50 0 KJAARM CSc1nc(NC(=O)[N-]S(=O)(=O)Oc2ccc(Cl)cc2Cl)nc(C23CC4CC(CC(C4)C2)C3)n1 ZINC000095722966 553710324 /nfs/dbraw/zinc/71/03/24/553710324.db2.gz IHOBAHSWALBQOS-UHFFFAOYSA-N -1 0 544.486 4.813 50 0 KJAARM CSc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)nc(C23CC4CC(CC(C4)C2)C3)n1 ZINC000095722970 553710314 /nfs/dbraw/zinc/71/03/14/553710314.db2.gz ZEOUTRAXECMJDD-UHFFFAOYSA-N -1 0 527.594 4.591 50 0 KJAARM CC(C)(C)Oc1ccc(C[C@H](NC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000095910972 553714753 /nfs/dbraw/zinc/71/47/53/553714753.db2.gz SLKZAIKXJIWNHP-SANMLTNESA-N -1 0 516.594 4.515 50 0 KJAARM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@H]1c1cccnc1 ZINC000095945933 553715802 /nfs/dbraw/zinc/71/58/02/553715802.db2.gz PPRWOVSCBDTODM-QFIPXVFZSA-N -1 0 500.942 4.786 50 0 KJAARM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@@H]1c1cccnc1 ZINC000095945934 553715853 /nfs/dbraw/zinc/71/58/53/553715853.db2.gz PPRWOVSCBDTODM-JOCHJYFZSA-N -1 0 500.942 4.786 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCCCC1 ZINC000096021983 553718694 /nfs/dbraw/zinc/71/86/94/553718694.db2.gz UPFUIKYLJUVETD-UHFFFAOYSA-N -1 0 537.610 4.565 50 0 KJAARM COc1ccc(NS(=O)(=O)c2cccc([N-]S(=O)(=O)c3cc(Br)ccc3Br)c2)cc1 ZINC000096022117 553719590 /nfs/dbraw/zinc/71/95/90/553719590.db2.gz JZFNVNPXMQTUEI-UHFFFAOYSA-N -1 0 576.288 4.822 50 0 KJAARM CN(C)P(=NC(=S)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)(c1ccncc1)N(C)C ZINC000096022196 553720050 /nfs/dbraw/zinc/72/00/50/553720050.db2.gz SBDDHMHHMMHFQP-UHFFFAOYSA-N -1 0 537.051 4.713 50 0 KJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000096022562 553721503 /nfs/dbraw/zinc/72/15/03/553721503.db2.gz FNEWIILRBMLUGX-UHFFFAOYSA-N -1 0 537.667 4.657 50 0 KJAARM COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096113810 553724752 /nfs/dbraw/zinc/72/47/52/553724752.db2.gz TYNYCSOSLCJTDP-LJQANCHMSA-N -1 0 506.507 4.592 50 0 biogenic KJAARM COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096113811 553724686 /nfs/dbraw/zinc/72/46/86/553724686.db2.gz TYNYCSOSLCJTDP-IBGZPJMESA-N -1 0 506.507 4.592 50 0 biogenic KJAARM COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114234 553724965 /nfs/dbraw/zinc/72/49/65/553724965.db2.gz BLPWODGCKVNVOC-QGZVFWFLSA-N -1 0 506.507 4.592 50 0 biogenic KJAARM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114235 553724949 /nfs/dbraw/zinc/72/49/49/553724949.db2.gz BLPWODGCKVNVOC-KRWDZBQOSA-N -1 0 506.507 4.592 50 0 biogenic KJAARM COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096114420 553725109 /nfs/dbraw/zinc/72/51/09/553725109.db2.gz FFYXULWMBMUDSM-LJQANCHMSA-N -1 0 506.507 4.592 50 0 biogenic KJAARM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096114421 553725045 /nfs/dbraw/zinc/72/50/45/553725045.db2.gz FFYXULWMBMUDSM-IBGZPJMESA-N -1 0 506.507 4.592 50 0 biogenic KJAARM COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114492 553724940 /nfs/dbraw/zinc/72/49/40/553724940.db2.gz QNIJAOJFIQFZNC-QGZVFWFLSA-N -1 0 506.507 4.592 50 0 biogenic KJAARM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114493 553724919 /nfs/dbraw/zinc/72/49/19/553724919.db2.gz QNIJAOJFIQFZNC-KRWDZBQOSA-N -1 0 506.507 4.592 50 0 biogenic KJAARM COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096114540 553725095 /nfs/dbraw/zinc/72/50/95/553725095.db2.gz FIGSHGPAGQMAOJ-LJQANCHMSA-N -1 0 514.486 4.681 50 0 biogenic KJAARM COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096114541 553724976 /nfs/dbraw/zinc/72/49/76/553724976.db2.gz FIGSHGPAGQMAOJ-IBGZPJMESA-N -1 0 514.486 4.681 50 0 biogenic KJAARM COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114562 553724931 /nfs/dbraw/zinc/72/49/31/553724931.db2.gz HNNWFYXKKDGTBC-QGZVFWFLSA-N -1 0 506.507 4.592 50 0 biogenic KJAARM COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096114563 553725019 /nfs/dbraw/zinc/72/50/19/553725019.db2.gz HNNWFYXKKDGTBC-KRWDZBQOSA-N -1 0 506.507 4.592 50 0 biogenic KJAARM COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114637 553725294 /nfs/dbraw/zinc/72/52/94/553725294.db2.gz PTHYNMZBIILQPW-FQEVSTJZSA-N -1 0 523.541 4.827 50 0 biogenic KJAARM COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114638 553725405 /nfs/dbraw/zinc/72/54/05/553725405.db2.gz PTHYNMZBIILQPW-HXUWFJFHSA-N -1 0 523.541 4.827 50 0 biogenic KJAARM O=C(C[C@H](c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)C1=Cc2ccccc2OC1)N1CCOCC1 ZINC000096114639 553725313 /nfs/dbraw/zinc/72/53/13/553725313.db2.gz UEMDYFFUZCEBSB-QFIPXVFZSA-N -1 0 525.557 4.680 50 0 biogenic KJAARM O=C(C[C@@H](c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)C1=Cc2ccccc2OC1)N1CCOCC1 ZINC000096114640 553725454 /nfs/dbraw/zinc/72/54/54/553725454.db2.gz UEMDYFFUZCEBSB-JOCHJYFZSA-N -1 0 525.557 4.680 50 0 biogenic KJAARM O=C(C[C@@H](c1ccc2ncccc2c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096114721 553725339 /nfs/dbraw/zinc/72/53/39/553725339.db2.gz XJNQCXAJBGETAF-QFIPXVFZSA-N -1 0 522.557 4.800 50 0 biogenic KJAARM O=C(C[C@H](c1ccc2ncccc2c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096114722 553725359 /nfs/dbraw/zinc/72/53/59/553725359.db2.gz XJNQCXAJBGETAF-JOCHJYFZSA-N -1 0 522.557 4.800 50 0 biogenic KJAARM O=C(C[C@@H](c1cccc2cccnc21)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096115662 553726157 /nfs/dbraw/zinc/72/61/57/553726157.db2.gz JBYQFYZFYDSNHA-QFIPXVFZSA-N -1 0 522.557 4.800 50 0 biogenic KJAARM O=C(C[C@H](c1cccc2cccnc21)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096115663 553726056 /nfs/dbraw/zinc/72/60/56/553726056.db2.gz JBYQFYZFYDSNHA-JOCHJYFZSA-N -1 0 522.557 4.800 50 0 biogenic KJAARM O=C(C[C@@H](c1ccnc2ccccc21)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096115911 553726626 /nfs/dbraw/zinc/72/66/26/553726626.db2.gz QNFNJDGCJLAEQS-QFIPXVFZSA-N -1 0 522.557 4.800 50 0 biogenic KJAARM O=C(C[C@H](c1ccnc2ccccc21)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1 ZINC000096115912 553726463 /nfs/dbraw/zinc/72/64/63/553726463.db2.gz QNFNJDGCJLAEQS-JOCHJYFZSA-N -1 0 522.557 4.800 50 0 biogenic KJAARM COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116055 553726596 /nfs/dbraw/zinc/72/65/96/553726596.db2.gz KUIYBDKAPLJVQY-LJQANCHMSA-N -1 0 506.507 4.592 50 0 biogenic KJAARM COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116056 553726486 /nfs/dbraw/zinc/72/64/86/553726486.db2.gz KUIYBDKAPLJVQY-IBGZPJMESA-N -1 0 506.507 4.592 50 0 biogenic KJAARM COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096116125 553726859 /nfs/dbraw/zinc/72/68/59/553726859.db2.gz USOOJYAIUPMIIB-QGZVFWFLSA-N -1 0 514.486 4.681 50 0 biogenic KJAARM COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096116126 553726903 /nfs/dbraw/zinc/72/69/03/553726903.db2.gz USOOJYAIUPMIIB-KRWDZBQOSA-N -1 0 514.486 4.681 50 0 biogenic KJAARM COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116180 553726741 /nfs/dbraw/zinc/72/67/41/553726741.db2.gz KSWCBOFSTRPINJ-QFIPXVFZSA-N -1 0 523.541 4.827 50 0 biogenic KJAARM COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116181 553726849 /nfs/dbraw/zinc/72/68/49/553726849.db2.gz KSWCBOFSTRPINJ-JOCHJYFZSA-N -1 0 523.541 4.827 50 0 biogenic KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)C2CCCC2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)(C)C ZINC000096278935 553735806 /nfs/dbraw/zinc/73/58/06/553735806.db2.gz DULJRHAZXLSXGI-OAHLLOKOSA-N -1 0 520.652 4.643 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)C2CCCC2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)(C)C ZINC000096278936 553735780 /nfs/dbraw/zinc/73/57/80/553735780.db2.gz DULJRHAZXLSXGI-HNNXBMFYSA-N -1 0 520.652 4.643 50 0 KJAARM CCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cc(C)ccc2C)c(S(=O)(=O)NCC(C)C)c1 ZINC000096316714 553749757 /nfs/dbraw/zinc/74/97/57/553749757.db2.gz MVEAAQZNXJQYDO-UHFFFAOYSA-N -1 0 528.631 4.571 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cc(C)ccc2C)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NC(C)C ZINC000096316715 553749865 /nfs/dbraw/zinc/74/98/65/553749865.db2.gz VIAPHIBGLBMHPC-UHFFFAOYSA-N -1 0 528.631 4.569 50 0 KJAARM CCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cc(C)ccc2C)c(S(=O)(=O)N[C@H](C)CC)c1 ZINC000096316717 553749868 /nfs/dbraw/zinc/74/98/68/553749868.db2.gz JVFYVFGDDRDWAG-QGZVFWFLSA-N -1 0 528.631 4.713 50 0 KJAARM CCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cc(C)ccc2C)c(S(=O)(=O)N[C@@H](C)CC)c1 ZINC000096316718 553749838 /nfs/dbraw/zinc/74/98/38/553749838.db2.gz JVFYVFGDDRDWAG-KRWDZBQOSA-N -1 0 528.631 4.713 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)CC(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000096317527 553750079 /nfs/dbraw/zinc/75/00/79/553750079.db2.gz ZVPQNZYSPJABQS-UHFFFAOYSA-N -1 0 528.631 4.653 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000096317627 553750393 /nfs/dbraw/zinc/75/03/93/553750393.db2.gz MZCDPMYLWXSRDI-QGZVFWFLSA-N -1 0 528.631 4.651 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000096317628 553750443 /nfs/dbraw/zinc/75/04/43/553750443.db2.gz MZCDPMYLWXSRDI-KRWDZBQOSA-N -1 0 528.631 4.651 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2C)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)(C)C ZINC000096317711 553750480 /nfs/dbraw/zinc/75/04/80/553750480.db2.gz HKBXXXIQPKSPLE-UHFFFAOYSA-N -1 0 528.631 4.686 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)C(CC)CC)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)(C)C ZINC000096317712 553750499 /nfs/dbraw/zinc/75/04/99/553750499.db2.gz AUHUGZNMBRVDFQ-UHFFFAOYSA-N -1 0 508.641 4.500 50 0 KJAARM Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)NCC(C)C ZINC000096317715 553750389 /nfs/dbraw/zinc/75/03/89/553750389.db2.gz FEQZAKMIZVMNNZ-UHFFFAOYSA-N -1 0 520.652 4.500 50 0 KJAARM Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)NC(C)(C)C ZINC000096317726 553750476 /nfs/dbraw/zinc/75/04/76/553750476.db2.gz ZFDYQZJUPPEZLW-UHFFFAOYSA-N -1 0 522.668 4.889 50 0 KJAARM Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)NC(C)(C)C ZINC000096317727 553750378 /nfs/dbraw/zinc/75/03/78/553750378.db2.gz ASGWMCAHEGWCTC-UHFFFAOYSA-N -1 0 520.652 4.643 50 0 KJAARM CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)(C)C)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000096317730 553750805 /nfs/dbraw/zinc/75/08/05/553750805.db2.gz UGGHFWMGROSQRK-UHFFFAOYSA-N -1 0 522.668 4.889 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(C)cc2)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NCC(C)C ZINC000096317751 553750818 /nfs/dbraw/zinc/75/08/18/553750818.db2.gz TYFYSCHBBSCLGB-UHFFFAOYSA-N -1 0 528.631 4.508 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C ZINC000096317922 553750988 /nfs/dbraw/zinc/75/09/88/553750988.db2.gz DSTZPQMYHINWSO-OAHLLOKOSA-N -1 0 508.641 4.714 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C ZINC000096317923 553751014 /nfs/dbraw/zinc/75/10/14/553751014.db2.gz DSTZPQMYHINWSO-HNNXBMFYSA-N -1 0 508.641 4.714 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2C)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C ZINC000096317924 553751048 /nfs/dbraw/zinc/75/10/48/553751048.db2.gz XBPXGUKHOXJMOU-QGZVFWFLSA-N -1 0 528.631 4.900 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2C)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C ZINC000096317925 553751037 /nfs/dbraw/zinc/75/10/37/553751037.db2.gz XBPXGUKHOXJMOU-KRWDZBQOSA-N -1 0 528.631 4.900 50 0 KJAARM CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)C)c(S(=O)(=O)N[C@H](C)CC)c1 ZINC000096317926 553751081 /nfs/dbraw/zinc/75/10/81/553751081.db2.gz SQFSNIQBXAGZGP-OAHLLOKOSA-N -1 0 508.641 4.714 50 0 KJAARM CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)C)c(S(=O)(=O)N[C@@H](C)CC)c1 ZINC000096317927 553751001 /nfs/dbraw/zinc/75/10/01/553751001.db2.gz SQFSNIQBXAGZGP-HNNXBMFYSA-N -1 0 508.641 4.714 50 0 KJAARM CCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccccc2CC)c(S(=O)(=O)NCC(C)C)c1 ZINC000096317966 553751092 /nfs/dbraw/zinc/75/10/92/553751092.db2.gz ASIFFQQJXBTSSQ-UHFFFAOYSA-N -1 0 528.631 4.516 50 0 KJAARM CCc1ccccc1-n1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NC(C)C ZINC000096317967 553751087 /nfs/dbraw/zinc/75/10/87/553751087.db2.gz VPFFPXWHOJECSG-UHFFFAOYSA-N -1 0 528.631 4.515 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccccc2C)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)NC(C)C ZINC000096317970 553751364 /nfs/dbraw/zinc/75/13/64/553751364.db2.gz YOGMDOQLRPVKRU-UHFFFAOYSA-N -1 0 528.631 4.651 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccccc1C ZINC000096317973 553751353 /nfs/dbraw/zinc/75/13/53/553751353.db2.gz YRNXUZNYSIZEDT-QGZVFWFLSA-N -1 0 528.631 4.651 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccccc1C ZINC000096317974 553751350 /nfs/dbraw/zinc/75/13/50/553751350.db2.gz YRNXUZNYSIZEDT-KRWDZBQOSA-N -1 0 528.631 4.651 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(C)c1C ZINC000096317979 553751374 /nfs/dbraw/zinc/75/13/74/553751374.db2.gz GESVNZJIEJJVOI-UHFFFAOYSA-N -1 0 528.631 4.571 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccccc2C)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NC(C)(C)C ZINC000096317998 553751383 /nfs/dbraw/zinc/75/13/83/553751383.db2.gz FDNKKXJXKSXENG-UHFFFAOYSA-N -1 0 528.631 4.651 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)NCC(C)C ZINC000096318031 553751307 /nfs/dbraw/zinc/75/13/07/553751307.db2.gz UUSNKQGTMAZIOU-UHFFFAOYSA-N -1 0 528.631 4.590 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)NC(C)C ZINC000096318035 553751334 /nfs/dbraw/zinc/75/13/34/553751334.db2.gz JUBXEOCWWUHAPR-UHFFFAOYSA-N -1 0 528.631 4.733 50 0 KJAARM CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccccc2)c(S(=O)(=O)NC(C)C)c1 ZINC000096318036 553751345 /nfs/dbraw/zinc/75/13/45/553751345.db2.gz UEIZBWGZLUORMM-UHFFFAOYSA-N -1 0 528.631 4.733 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)CC(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccccc1 ZINC000096318039 553751339 /nfs/dbraw/zinc/75/13/39/553751339.db2.gz HSXVBRQJNJWWOB-QGZVFWFLSA-N -1 0 528.631 4.733 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)CC(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccccc1 ZINC000096318040 553751376 /nfs/dbraw/zinc/75/13/76/553751376.db2.gz HSXVBRQJNJWWOB-KRWDZBQOSA-N -1 0 528.631 4.733 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)NC(C)(C)C ZINC000096318045 553751552 /nfs/dbraw/zinc/75/15/52/553751552.db2.gz WXRZGLXEEXFHHF-UHFFFAOYSA-N -1 0 528.631 4.733 50 0 KJAARM CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccccc2)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000096318047 553751540 /nfs/dbraw/zinc/75/15/40/553751540.db2.gz ADVBYONJRNNRNO-MRXNPFEDSA-N -1 0 528.631 4.733 50 0 KJAARM CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccccc2)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000096318048 553751534 /nfs/dbraw/zinc/75/15/34/553751534.db2.gz ADVBYONJRNNRNO-INIZCTEOSA-N -1 0 528.631 4.733 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccccc1 ZINC000096318055 553751562 /nfs/dbraw/zinc/75/15/62/553751562.db2.gz UKWKDBOWTQPXDO-UHFFFAOYSA-N -1 0 528.631 4.734 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccccc2C)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NCC(C)C ZINC000096318061 553751589 /nfs/dbraw/zinc/75/15/89/553751589.db2.gz OUGWGMCEFBJMQD-UHFFFAOYSA-N -1 0 528.631 4.508 50 0 KJAARM CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccccc2)c(S(=O)(=O)N(CC)CC)c1 ZINC000096318293 553751612 /nfs/dbraw/zinc/75/16/12/553751612.db2.gz JOBITDGEBRGHEG-QGZVFWFLSA-N -1 0 528.631 4.686 50 0 KJAARM CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccccc2)c(S(=O)(=O)N(CC)CC)c1 ZINC000096318294 553751594 /nfs/dbraw/zinc/75/15/94/553751594.db2.gz JOBITDGEBRGHEG-KRWDZBQOSA-N -1 0 528.631 4.686 50 0 KJAARM CCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(C)cc2C)c(S(=O)(=O)NCC(C)C)c1 ZINC000096318329 553751564 /nfs/dbraw/zinc/75/15/64/553751564.db2.gz FKYYNWCSECZDSG-UHFFFAOYSA-N -1 0 528.631 4.571 50 0 KJAARM COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CCC(=O)[O-])[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000096400870 553753928 /nfs/dbraw/zinc/75/39/28/553753928.db2.gz VYQJMTHVOPSRHB-LADRKYRYSA-N -1 0 508.571 4.709 50 0 KJAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cccc3nsnc32)sc1CC ZINC000096592281 553756334 /nfs/dbraw/zinc/75/63/34/553756334.db2.gz NHHBCAGGJAJYEC-UHFFFAOYSA-N -1 0 516.626 4.545 50 0 KJAARM COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccccc3F)CC2)c1 ZINC000096901147 553757888 /nfs/dbraw/zinc/75/78/88/553757888.db2.gz SEZCSDOMDIVYRX-QFIPXVFZSA-N -1 0 505.575 4.816 50 0 KJAARM COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccccc3F)CC2)c1 ZINC000096901148 553757922 /nfs/dbraw/zinc/75/79/22/553757922.db2.gz SEZCSDOMDIVYRX-JOCHJYFZSA-N -1 0 505.575 4.816 50 0 KJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3Br)cc2)n1 ZINC000097940269 553764128 /nfs/dbraw/zinc/76/41/28/553764128.db2.gz MWVQUWJWTZBXHR-UHFFFAOYSA-N -1 0 541.427 4.827 50 0 KJAARM O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(OCCOc2ccccc2)c1 ZINC000097940435 553765179 /nfs/dbraw/zinc/76/51/79/553765179.db2.gz DVDUAWGBMTWLDA-UHFFFAOYSA-N -1 0 554.675 4.529 50 0 KJAARM O=C(CCCc1nc2ccccc2s1)N1CCc2c(=O)n3[n-]c(-c4ccccc4Cl)cc3nc2C1 ZINC000097942026 553768088 /nfs/dbraw/zinc/76/80/88/553768088.db2.gz MMHNLNFJMFKNKW-UHFFFAOYSA-N -1 0 504.015 4.860 50 0 KJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccco1 ZINC000097944147 553768698 /nfs/dbraw/zinc/76/86/98/553768698.db2.gz ULGQVFISVKTONR-RGEXLXHISA-N -1 0 573.450 4.709 50 0 KJAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000097948559 553794980 /nfs/dbraw/zinc/79/49/80/553794980.db2.gz UAJHNGQVUHKCIZ-NJTJDHLSSA-N -1 0 581.260 4.588 50 0 KJAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000097948561 553794985 /nfs/dbraw/zinc/79/49/85/553794985.db2.gz UAJHNGQVUHKCIZ-FUFIINLKSA-N -1 0 581.260 4.588 50 0 KJAARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000097948562 553794988 /nfs/dbraw/zinc/79/49/88/553794988.db2.gz UAJHNGQVUHKCIZ-CFTVHJJUSA-N -1 0 581.260 4.588 50 0 KJAARM Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=N)NCC[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C(=O)[O-])OC(C)(C)C2 ZINC000097950247 553803742 /nfs/dbraw/zinc/80/37/42/553803742.db2.gz HEAUFWFESGQUMX-MHZLTWQESA-N -1 0 634.755 4.510 50 0 KJAARM Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=N)NCCCN(CC(=O)[O-])C(=O)OCC1c3ccccc3-c3ccccc31)OC(C)(C)C2 ZINC000097950249 553803725 /nfs/dbraw/zinc/80/37/25/553803725.db2.gz WPRXLGAEYFYLRJ-UHFFFAOYSA-N -1 0 648.782 4.854 50 0 KJAARM O=C(N=c1ccn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000097951750 553811200 /nfs/dbraw/zinc/81/12/00/553811200.db2.gz YBOARNDFFBTHNP-UHFFFAOYSA-N -1 0 533.972 4.755 50 0 KJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2-n2ccc(=NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000097951751 553811214 /nfs/dbraw/zinc/81/12/14/553811214.db2.gz GVKQZSIBQYIFQJ-UHFFFAOYSA-N -1 0 530.009 4.924 50 0 KJAARM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000097953973 553820456 /nfs/dbraw/zinc/82/04/56/553820456.db2.gz AOSMQUGFTDUVIK-XJUOHMSHSA-N -1 0 543.359 4.760 50 0 KJAARM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000097954811 553825789 /nfs/dbraw/zinc/82/57/89/553825789.db2.gz HWJJTOQXICMKRM-VJGNERBWSA-N -1 0 502.567 4.934 50 0 KJAARM COc1ccc(-n2[n-]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4ccc(F)c(F)c4)C3=O)c2=O)cc1 ZINC000097955949 553835218 /nfs/dbraw/zinc/83/52/18/553835218.db2.gz VFSWOCUDRMRGHK-QFEZKATASA-N -1 0 534.494 4.688 50 0 KJAARM COc1ccc(-n2[n-]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4ccc(F)cc4F)C3=O)c2=O)cc1 ZINC000097955963 553835200 /nfs/dbraw/zinc/83/52/00/553835200.db2.gz XXFMTMSWUMRNLD-QFEZKATASA-N -1 0 534.494 4.688 50 0 KJAARM COC(=O)c1cccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4C)[n-]n(-c4ccccc4C)c3=O)C2=O)c1 ZINC000097956177 553836696 /nfs/dbraw/zinc/83/66/96/553836696.db2.gz YSCGMZXLKKOACZ-ONUIUJJFSA-N -1 0 536.588 4.665 50 0 KJAARM CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000097956995 553843537 /nfs/dbraw/zinc/84/35/37/553843537.db2.gz FEXAWTUXOSIKSD-XRFWAPHDSA-N -1 0 558.631 4.742 50 0 KJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](C)C(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-])oc1c3CCCC1 ZINC000097956996 553843624 /nfs/dbraw/zinc/84/36/24/553843624.db2.gz XNWNBALSSIJKHX-DFBJGRDBSA-N -1 0 590.698 4.667 50 0 KJAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000097957008 553843602 /nfs/dbraw/zinc/84/36/02/553843602.db2.gz PSSXLCKGFVFAHS-IZZNHLLZSA-N -1 0 572.658 4.756 50 0 KJAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000097957009 553843529 /nfs/dbraw/zinc/84/35/29/553843529.db2.gz PSSXLCKGFVFAHS-CLJLJLNGSA-N -1 0 572.658 4.756 50 0 KJAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000097957018 553843954 /nfs/dbraw/zinc/84/39/54/553843954.db2.gz LLYFEXUDONDXMG-AHKZPQOWSA-N -1 0 597.668 4.766 50 0 KJAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000097957019 553843858 /nfs/dbraw/zinc/84/38/58/553843858.db2.gz LLYFEXUDONDXMG-XNMGPUDCSA-N -1 0 597.668 4.766 50 0 KJAARM Cc1oc2c(cc3c(C)c(CCC(=O)NCCC(=O)N[C@@H](CSCc4ccccc4)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000097957020 553843884 /nfs/dbraw/zinc/84/38/84/553843884.db2.gz WGLCYHSXKFLYDV-VWLOTQADSA-N -1 0 578.687 4.715 50 0 KJAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000097957033 553843971 /nfs/dbraw/zinc/84/39/71/553843971.db2.gz HDBDUICTDMMYGF-DEOSSOPVSA-N -1 0 532.593 4.713 50 0 KJAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000097957034 553843975 /nfs/dbraw/zinc/84/39/75/553843975.db2.gz HDBDUICTDMMYGF-XMMPIXPASA-N -1 0 532.593 4.713 50 0 KJAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc2c1C ZINC000097957038 553843863 /nfs/dbraw/zinc/84/38/63/553843863.db2.gz JOKZXVZERUECEI-HOFKKMOUSA-N -1 0 567.038 4.613 50 0 KJAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc2c1C ZINC000097957039 553843927 /nfs/dbraw/zinc/84/39/27/553843927.db2.gz JOKZXVZERUECEI-KCWPFWIISA-N -1 0 567.038 4.613 50 0 KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(=O)NCCCC(=O)[O-])(c2ccccc2)CC1)oc1c3CCCC1 ZINC000097957040 553843958 /nfs/dbraw/zinc/84/39/58/553843958.db2.gz ZKRJSZADCOERCT-UHFFFAOYSA-N -1 0 584.669 4.810 50 0 KJAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000097957041 553843910 /nfs/dbraw/zinc/84/39/10/553843910.db2.gz VOWIACPFWOCPHV-DEOSSOPVSA-N -1 0 550.583 4.852 50 0 KJAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000097957042 553843875 /nfs/dbraw/zinc/84/38/75/553843875.db2.gz VOWIACPFWOCPHV-XMMPIXPASA-N -1 0 550.583 4.852 50 0 KJAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N[C@@H](CSCc4ccccc4)C(=O)NCCC(=O)[O-])c(=O)oc12)CCCC3 ZINC000097957047 553844186 /nfs/dbraw/zinc/84/41/86/553844186.db2.gz XLGWLAWFBNTEJV-VWLOTQADSA-N -1 0 590.698 4.586 50 0 KJAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000097957053 553844192 /nfs/dbraw/zinc/84/41/92/553844192.db2.gz FMEYMTOCQIZFHP-RRPNLBNLSA-N -1 0 597.668 4.847 50 0 KJAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000097957054 553844219 /nfs/dbraw/zinc/84/42/19/553844219.db2.gz FMEYMTOCQIZFHP-KAYWLYCHSA-N -1 0 597.668 4.847 50 0 KJAARM CSC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000097957055 553844234 /nfs/dbraw/zinc/84/42/34/553844234.db2.gz OERNFYIYCRDRPJ-DMBDEWFESA-N -1 0 709.887 4.888 50 0 KJAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](CSCc4ccccc4)C(=O)NCCCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000097957059 553844207 /nfs/dbraw/zinc/84/42/07/553844207.db2.gz PXFOIVUNMXYXCK-VWLOTQADSA-N -1 0 578.687 4.715 50 0 KJAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](CSCc4ccccc4)C(=O)NCCCC(=O)[O-])c(C)c3cc2c1C ZINC000097957067 553844244 /nfs/dbraw/zinc/84/42/44/553844244.db2.gz YRSMFQZXCPIWBK-RUZDIDTESA-N -1 0 578.687 4.796 50 0 KJAARM CSC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-] ZINC000097957071 553844248 /nfs/dbraw/zinc/84/42/48/553844248.db2.gz IQXQEKRWFYKONU-DQEYMECFSA-N -1 0 610.754 4.748 50 0 KJAARM Cc1oc2cc3oc(=O)c(CC(=O)NCC(=O)N[C@H](CSCc4ccccc4)C(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000097957076 553844241 /nfs/dbraw/zinc/84/42/41/553844241.db2.gz XQMDCANVOAXCDC-AREMUKBSSA-N -1 0 598.677 4.985 50 0 KJAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)NCCC(=O)[O-])c(=O)oc12 ZINC000097957078 553844259 /nfs/dbraw/zinc/84/42/59/553844259.db2.gz GTZQMXKQCNUKKQ-DEOSSOPVSA-N -1 0 581.065 4.968 50 0 KJAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)NCCC(=O)[O-])c(=O)oc12 ZINC000097957079 553844266 /nfs/dbraw/zinc/84/42/66/553844266.db2.gz GTZQMXKQCNUKKQ-XMMPIXPASA-N -1 0 581.065 4.968 50 0 KJAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)N[C@H](CSCc1ccccc1)C(=O)[O-] ZINC000097957083 553844179 /nfs/dbraw/zinc/84/41/79/553844179.db2.gz KQTWZIPDVXMQHI-LOSJGSFVSA-N -1 0 578.687 4.795 50 0 KJAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)N[C@H](CSCc1ccccc1)C(=O)[O-] ZINC000097957084 553844210 /nfs/dbraw/zinc/84/42/10/553844210.db2.gz KQTWZIPDVXMQHI-JWQCQUIFSA-N -1 0 578.687 4.795 50 0 KJAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)N[C@@H](C(=O)NCCCC(=O)[O-])C(C)C)c(C)c3cc2c1C ZINC000097957085 553844592 /nfs/dbraw/zinc/84/45/92/553844592.db2.gz JRIVFVGCYUMDCW-SUYBVONHSA-N -1 0 652.144 4.510 50 0 KJAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)N[C@@H](C(=O)NCCCC(=O)[O-])C(C)C)c(C)c3cc2c1C ZINC000097957086 553844516 /nfs/dbraw/zinc/84/45/16/553844516.db2.gz JRIVFVGCYUMDCW-MXBOTTGLSA-N -1 0 652.144 4.510 50 0 KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(=O)NCCC(=O)[O-])(c2ccccc2)CC1)occ3C(C)(C)C ZINC000097957095 553844546 /nfs/dbraw/zinc/84/45/46/553844546.db2.gz AODHBCMCZWAVPN-UHFFFAOYSA-N -1 0 572.658 4.839 50 0 KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](CSCc1ccccc1)C(=O)NCCCC(=O)[O-])oc1c3CCCC1 ZINC000097957100 553844597 /nfs/dbraw/zinc/84/45/97/553844597.db2.gz ODRUGDCIEVTZCK-RUZDIDTESA-N -1 0 590.698 4.668 50 0 KJAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)NCCCC(=O)[O-])c(=O)oc1c2C ZINC000097957102 553844543 /nfs/dbraw/zinc/84/45/43/553844543.db2.gz XXXWELAEPHBKSQ-DEOSSOPVSA-N -1 0 567.038 4.759 50 0 KJAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)NCCCC(=O)[O-])c(=O)oc1c2C ZINC000097957103 553844602 /nfs/dbraw/zinc/84/46/02/553844602.db2.gz XXXWELAEPHBKSQ-XMMPIXPASA-N -1 0 567.038 4.759 50 0 KJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](CSCc1ccccc1)C(=O)NCC(=O)[O-])occ3-c1ccccc1 ZINC000097957110 553844585 /nfs/dbraw/zinc/84/45/85/553844585.db2.gz RMXDFZIYNFTYOS-SANMLTNESA-N -1 0 584.650 4.676 50 0 KJAARM CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)nnc1-c1ccccc1Cl ZINC000097958338 553853332 /nfs/dbraw/zinc/85/33/32/553853332.db2.gz WSQOKFACSMXXCA-UHFFFAOYSA-N -1 0 558.089 4.557 50 0 KJAARM Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)n2Cc2ccco2)cc1 ZINC000097958431 553854490 /nfs/dbraw/zinc/85/44/90/553854490.db2.gz SEPUCMYOWTUOQA-UHFFFAOYSA-N -1 0 619.729 4.745 50 0 KJAARM O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000097958457 553854911 /nfs/dbraw/zinc/85/49/11/553854911.db2.gz VDGGVCHLDBHPOA-UHFFFAOYSA-N -1 0 584.108 4.971 50 0 KJAARM Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)nnc2-c2ccccn2)cc1 ZINC000097958459 553854850 /nfs/dbraw/zinc/85/48/50/553854850.db2.gz MFNSLIFBWVLIHU-UHFFFAOYSA-N -1 0 563.690 4.626 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000097958741 553857429 /nfs/dbraw/zinc/85/74/29/553857429.db2.gz FQSLLMZUJFJTRX-VMOHIOPYSA-N -1 0 547.460 4.598 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000097958742 553857473 /nfs/dbraw/zinc/85/74/73/553857473.db2.gz FQSLLMZUJFJTRX-IYMWYRQMSA-N -1 0 547.460 4.598 50 0 KJAARM COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000097959143 553861126 /nfs/dbraw/zinc/86/11/26/553861126.db2.gz NQPZPEVZWPPOEC-SRZZPIQSSA-N -1 0 602.356 4.809 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000097959348 553862843 /nfs/dbraw/zinc/86/28/43/553862843.db2.gz YYGYPPYTNUGLGR-FAOMPSFFSA-N -1 0 572.625 4.828 50 0 KJAARM O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1 ZINC000097959730 553865797 /nfs/dbraw/zinc/86/57/97/553865797.db2.gz CPIDKGYOLYAKPY-UNOMPAQXSA-N -1 0 526.368 4.613 50 0 KJAARM COc1cccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000097960133 553868255 /nfs/dbraw/zinc/86/82/55/553868255.db2.gz UMWCMLAQQBEHLE-FYJGNVAPSA-N -1 0 537.366 4.828 50 0 KJAARM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000097961089 553875115 /nfs/dbraw/zinc/87/51/15/553875115.db2.gz RVSRHFKYAZXGNQ-RQZCQDPDSA-N -1 0 525.366 4.531 50 0 KJAARM Cc1ccc(S(=O)(=O)N(C(=O)NC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2ccc(Cl)cc2)cc1 ZINC000097961167 553875779 /nfs/dbraw/zinc/87/57/79/553875779.db2.gz SJRMTFAVZLYBCK-UHFFFAOYSA-N -1 0 629.120 4.993 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000097962548 553884392 /nfs/dbraw/zinc/88/43/92/553884392.db2.gz LJTDNVRTZLBXOF-AQIZGWBQSA-N -1 0 563.031 4.718 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000097962549 553884375 /nfs/dbraw/zinc/88/43/75/553884375.db2.gz LJTDNVRTZLBXOF-ZDGAQAAHSA-N -1 0 563.031 4.718 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000097962661 553884936 /nfs/dbraw/zinc/88/49/36/553884936.db2.gz FVFXFYWENWGMCU-RWTNITNYSA-N -1 0 566.994 4.549 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000097962662 553884938 /nfs/dbraw/zinc/88/49/38/553884938.db2.gz FVFXFYWENWGMCU-MFUBYVTQSA-N -1 0 566.994 4.549 50 0 KJAARM CCOC(=O)[C@@](NC(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(SCC)s2)cc1)(c1ccc(F)cc1)C(F)(F)F ZINC000097966921 553911953 /nfs/dbraw/zinc/91/19/53/553911953.db2.gz ARWXICZZIKCYDJ-NRFANRHFSA-N -1 0 607.633 4.732 50 0 KJAARM CCOC(=O)[C@](NC(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(SCC)s2)cc1)(c1ccc(F)cc1)C(F)(F)F ZINC000097966922 553911985 /nfs/dbraw/zinc/91/19/85/553911985.db2.gz ARWXICZZIKCYDJ-OAQYLSRUSA-N -1 0 607.633 4.732 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000097968624 553933820 /nfs/dbraw/zinc/93/38/20/553933820.db2.gz VRQZNFIWLWGVPJ-MFISQUFLSA-N -1 0 594.645 4.918 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000097968625 553933823 /nfs/dbraw/zinc/93/38/23/553933823.db2.gz VRQZNFIWLWGVPJ-RGDUZTMSSA-N -1 0 594.645 4.918 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000097968633 553934034 /nfs/dbraw/zinc/93/40/34/553934034.db2.gz ZOYFQDSRAOSRQI-AURKMBPUSA-N -1 0 653.507 4.536 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000097968634 553934015 /nfs/dbraw/zinc/93/40/15/553934015.db2.gz ZOYFQDSRAOSRQI-GXIJPSQLSA-N -1 0 653.507 4.536 50 0 KJAARM COc1cccc(N2CCN(C(=O)c3ccc4nc([N-]S(=O)(=O)c5ccc(Cl)cc5)sc4c3)CC2)c1 ZINC000097968817 553934605 /nfs/dbraw/zinc/93/46/05/553934605.db2.gz YUHTVEGGRVMJJO-UHFFFAOYSA-N -1 0 543.070 4.722 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000097971051 553960589 /nfs/dbraw/zinc/96/05/89/553960589.db2.gz JZSQKXIEKYJDTJ-SUAMDDGLSA-N -1 0 637.085 4.877 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000097971052 553960593 /nfs/dbraw/zinc/96/05/93/553960593.db2.gz JZSQKXIEKYJDTJ-MFCBUNOESA-N -1 0 637.085 4.877 50 0 KJAARM COc1cc2c(c(OC)c1OC)-c1ccc(NCC3(CC(=O)[O-])CCCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000097971835 553963174 /nfs/dbraw/zinc/96/31/74/553963174.db2.gz WJWHEQSQXRAVBC-QFIPXVFZSA-N -1 0 538.641 4.700 50 0 biogenic KJAARM CN1CCN(C(=O)C[C@@H](c2cccc3cccnc32)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000097971937 553964207 /nfs/dbraw/zinc/96/42/07/553964207.db2.gz WBOCVRCHAPVQAK-QHCPKHFHSA-N -1 0 535.600 4.715 50 0 biogenic KJAARM CN1CCN(C(=O)C[C@H](c2cccc3cccnc32)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000097971938 553964265 /nfs/dbraw/zinc/96/42/65/553964265.db2.gz WBOCVRCHAPVQAK-HSZRJFAPSA-N -1 0 535.600 4.715 50 0 biogenic KJAARM CN1CCN(C(=O)C[C@@H](c2ccnc3ccccc32)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000097971947 553964330 /nfs/dbraw/zinc/96/43/30/553964330.db2.gz WGMDXMMGLCJBMZ-QHCPKHFHSA-N -1 0 535.600 4.715 50 0 biogenic KJAARM CN1CCN(C(=O)C[C@H](c2ccnc3ccccc32)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000097971948 553964315 /nfs/dbraw/zinc/96/43/15/553964315.db2.gz WGMDXMMGLCJBMZ-HSZRJFAPSA-N -1 0 535.600 4.715 50 0 biogenic KJAARM CN1CCN(C(=O)C[C@@H](c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)C2=Cc3ccccc3OC2)CC1 ZINC000097971955 553964213 /nfs/dbraw/zinc/96/42/13/553964213.db2.gz NWPLIHJNYNWKJR-HSZRJFAPSA-N -1 0 538.600 4.595 50 0 biogenic KJAARM CN1CCN(C(=O)C[C@H](c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)C2=Cc3ccccc3OC2)CC1 ZINC000097971956 553964248 /nfs/dbraw/zinc/96/42/48/553964248.db2.gz NWPLIHJNYNWKJR-QHCPKHFHSA-N -1 0 538.600 4.595 50 0 biogenic KJAARM CC(C)Oc1ccc([C@@H](CC(=O)N2CCN(C)CC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)cc1 ZINC000097971965 553964709 /nfs/dbraw/zinc/96/47/09/553964709.db2.gz JLMUMOGYQSYOAC-XMMPIXPASA-N -1 0 542.632 4.954 50 0 biogenic KJAARM CC(C)Oc1ccc([C@H](CC(=O)N2CCN(C)CC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)cc1 ZINC000097971966 553964676 /nfs/dbraw/zinc/96/46/76/553964676.db2.gz JLMUMOGYQSYOAC-DEOSSOPVSA-N -1 0 542.632 4.954 50 0 biogenic KJAARM CN1CCN(C(=O)C[C@@H](c2ccc3ncccc3c2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000097972000 553965090 /nfs/dbraw/zinc/96/50/90/553965090.db2.gz HUZUYCCBHFNGKF-QHCPKHFHSA-N -1 0 535.600 4.715 50 0 biogenic KJAARM CN1CCN(C(=O)C[C@H](c2ccc3ncccc3c2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1 ZINC000097972001 553965011 /nfs/dbraw/zinc/96/50/11/553965011.db2.gz HUZUYCCBHFNGKF-HSZRJFAPSA-N -1 0 535.600 4.715 50 0 biogenic KJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1N1CCCC1 ZINC000097980131 553985547 /nfs/dbraw/zinc/98/55/47/553985547.db2.gz RCWXBTVUORPWMD-SDNWHVSQSA-N -1 0 567.664 4.774 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc4c(c3)OCO4)C2=O)c1 ZINC000097980448 553988616 /nfs/dbraw/zinc/98/86/16/553988616.db2.gz PMABLQZJMNKAOW-JJIBRWJFSA-N -1 0 569.595 4.865 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ncccc3C)C2=O)c1 ZINC000097980459 553988760 /nfs/dbraw/zinc/98/87/60/553988760.db2.gz UZRUEOLFZNZYBN-MOHJPFBDSA-N -1 0 540.601 4.839 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccn3)C2=O)c1 ZINC000097980490 553989021 /nfs/dbraw/zinc/98/90/21/553989021.db2.gz GXLGKUZWYKMKNH-NKFKGCMQSA-N -1 0 526.574 4.531 50 0 KJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC ZINC000097981274 553992738 /nfs/dbraw/zinc/99/27/38/553992738.db2.gz YNDMQIDINZLOAS-UHFFFAOYSA-N -1 0 569.499 4.872 50 0 KJAARM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1cccc(Cl)c1 ZINC000097981284 553992602 /nfs/dbraw/zinc/99/26/02/553992602.db2.gz ZEHUWWPCQZMKLJ-UHFFFAOYSA-N -1 0 526.986 4.647 50 0 KJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=S)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc2Cl)cc1 ZINC000097981349 553993269 /nfs/dbraw/zinc/99/32/69/553993269.db2.gz SMLZXOXAOOILKH-UHFFFAOYSA-N -1 0 569.130 4.599 50 0 KJAARM O=C([O-])CC/C(=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1nc2ccccc2s1 ZINC000097981459 553994101 /nfs/dbraw/zinc/99/41/01/553994101.db2.gz OZUROPXOMHEMCL-HTXNQAPBSA-N -1 0 524.620 4.983 50 0 KJAARM CCOc1cc(C(=O)NC(=S)Nc2ccc(OC)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc(OCC)c1OCC ZINC000097982371 554001485 /nfs/dbraw/zinc/00/14/85/554001485.db2.gz RGJJMTRKPOUXLD-UHFFFAOYSA-N -1 0 591.683 4.958 50 0 KJAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000097982858 554005222 /nfs/dbraw/zinc/00/52/22/554005222.db2.gz FDKXSVPVBFINPV-UHFFFAOYSA-N -1 0 581.672 4.948 50 0 KJAARM COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000097982859 554005152 /nfs/dbraw/zinc/00/51/52/554005152.db2.gz IDJYPXYOTUKANA-UHFFFAOYSA-N -1 0 555.609 4.688 50 0 KJAARM COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3C)c2)cc1 ZINC000097982861 554005741 /nfs/dbraw/zinc/00/57/41/554005741.db2.gz ASGTUCRBHNVEBD-UHFFFAOYSA-N -1 0 569.636 4.997 50 0 KJAARM COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC000097982862 554005633 /nfs/dbraw/zinc/00/56/33/554005633.db2.gz QSFZWEVQDLAKAF-UHFFFAOYSA-N -1 0 573.599 4.827 50 0 KJAARM O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000097982864 554005509 /nfs/dbraw/zinc/00/55/09/554005509.db2.gz BOLKQGCFETYRLL-UHFFFAOYSA-N -1 0 553.584 4.543 50 0 KJAARM O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000097982865 554005566 /nfs/dbraw/zinc/00/55/66/554005566.db2.gz RKOCVVCUGXQROC-UHFFFAOYSA-N -1 0 553.584 4.543 50 0 KJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1C ZINC000097982866 554005668 /nfs/dbraw/zinc/00/56/68/554005668.db2.gz YKZOQRAQJCFEFX-UHFFFAOYSA-N -1 0 541.695 4.758 50 0 KJAARM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000097982874 554005642 /nfs/dbraw/zinc/00/56/42/554005642.db2.gz KDJACRQHVHIPPJ-UHFFFAOYSA-N -1 0 598.928 4.940 50 0 KJAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC000097982876 554005572 /nfs/dbraw/zinc/00/55/72/554005572.db2.gz AUKJEMCDMHHSOF-UHFFFAOYSA-N -1 0 564.085 4.576 50 0 KJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1 ZINC000097982878 554005560 /nfs/dbraw/zinc/00/55/60/554005560.db2.gz DRGMDDAOQIZZEL-UHFFFAOYSA-N -1 0 548.086 4.794 50 0 KJAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000097982879 554005545 /nfs/dbraw/zinc/00/55/45/554005545.db2.gz ILZCSGUZLKKPAU-UHFFFAOYSA-N -1 0 552.049 4.625 50 0 KJAARM COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)ccc2C)cc1 ZINC000097982887 554005536 /nfs/dbraw/zinc/00/55/36/554005536.db2.gz SYOXOSUQGSZOMB-UHFFFAOYSA-N -1 0 569.636 4.997 50 0 KJAARM COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000097982900 554006071 /nfs/dbraw/zinc/00/60/71/554006071.db2.gz KDYWEODZLKBFRD-UHFFFAOYSA-N -1 0 658.705 4.664 50 0 KJAARM COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3ccccc3[N-]S(=O)(=O)c3cc(C)ccc3C)c2)cc1 ZINC000097982904 554006005 /nfs/dbraw/zinc/00/60/05/554006005.db2.gz SYBLLUBSOKFMAY-UHFFFAOYSA-N -1 0 581.672 4.872 50 0 KJAARM COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC000097982906 554006154 /nfs/dbraw/zinc/00/61/54/554006154.db2.gz MPMVMNFHDQOLPC-UHFFFAOYSA-N -1 0 589.598 4.533 50 0 KJAARM COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)ccc2N2CCOCC2)cc1 ZINC000097982911 554006116 /nfs/dbraw/zinc/00/61/16/554006116.db2.gz GFKJRTSRUVTLBI-UHFFFAOYSA-N -1 0 640.715 4.525 50 0 KJAARM COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3C)ccc2N2CCOCC2)cc1 ZINC000097982912 554006239 /nfs/dbraw/zinc/00/62/39/554006239.db2.gz XRKSZIMPGKNPPT-UHFFFAOYSA-N -1 0 654.742 4.833 50 0 KJAARM COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000097982918 554006087 /nfs/dbraw/zinc/00/60/87/554006087.db2.gz SFLLWUCFEYIPAU-UHFFFAOYSA-N -1 0 569.636 4.997 50 0 KJAARM O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000097982929 554006568 /nfs/dbraw/zinc/00/65/68/554006568.db2.gz OTAGSIDFSBXZDK-UHFFFAOYSA-N -1 0 588.777 4.966 50 0 KJAARM CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000097982931 554006589 /nfs/dbraw/zinc/00/65/89/554006589.db2.gz VFYGDTGLPIDJTI-UHFFFAOYSA-N -1 0 576.716 4.756 50 0 KJAARM COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000097982935 554006713 /nfs/dbraw/zinc/00/67/13/554006713.db2.gz PIXNOPSZIGJAED-UHFFFAOYSA-N -1 0 557.694 4.540 50 0 KJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000097984631 554017896 /nfs/dbraw/zinc/01/78/96/554017896.db2.gz QVAJBXJKUNROAA-UHFFFAOYSA-N -1 0 594.502 4.502 50 0 KJAARM COc1cc([C@H](c2c(C)n(C)n(-c3ccccc3)c2=O)c2c([O-])c3ccccc3oc2=O)cc(Br)c1O ZINC000097986397 554023738 /nfs/dbraw/zinc/02/37/38/554023738.db2.gz WIMYUVYAFIFDDJ-HSZRJFAPSA-N -1 0 563.404 4.953 50 0 KJAARM COc1cc([C@@H](c2c(C)n(C)n(-c3ccccc3)c2=O)c2c([O-])c3ccccc3oc2=O)cc(Br)c1O ZINC000097986398 554023740 /nfs/dbraw/zinc/02/37/40/554023740.db2.gz WIMYUVYAFIFDDJ-QHCPKHFHSA-N -1 0 563.404 4.953 50 0 KJAARM COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)ccc1OC(=O)C[C@H]1SC(=O)[N-]C1=O ZINC000097986463 554024274 /nfs/dbraw/zinc/02/42/74/554024274.db2.gz SMDIBZMTIKMSKW-VLUSQRCCSA-N -1 0 529.574 4.585 50 0 KJAARM O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000097990089 554027796 /nfs/dbraw/zinc/02/77/96/554027796.db2.gz OMMFDNBHLXQMKF-UHFFFAOYSA-N -1 0 584.108 4.971 50 0 KJAARM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)C1 ZINC000097992505 554030119 /nfs/dbraw/zinc/03/01/19/554030119.db2.gz MTIFONSEEQXCGN-QAPCUYQASA-N -1 0 531.432 4.883 50 0 KJAARM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)C1 ZINC000097992506 554030148 /nfs/dbraw/zinc/03/01/48/554030148.db2.gz MTIFONSEEQXCGN-YJBOKZPZSA-N -1 0 531.432 4.883 50 0 KJAARM CCOC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)CC1 ZINC000097992507 554030108 /nfs/dbraw/zinc/03/01/08/554030108.db2.gz DITMHBRWKPNBGJ-SFHVURJKSA-N -1 0 531.432 4.883 50 0 KJAARM CCOC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)CC1 ZINC000097992508 554030045 /nfs/dbraw/zinc/03/00/45/554030045.db2.gz DITMHBRWKPNBGJ-GOSISDBHSA-N -1 0 531.432 4.883 50 0 KJAARM O=C(c1ccco1)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)CC1 ZINC000097992525 554030585 /nfs/dbraw/zinc/03/05/85/554030585.db2.gz WAWWUOGAMLPIOP-IBGZPJMESA-N -1 0 554.426 4.659 50 0 KJAARM O=C(c1ccco1)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)CC1 ZINC000097992526 554030470 /nfs/dbraw/zinc/03/04/70/554030470.db2.gz WAWWUOGAMLPIOP-LJQANCHMSA-N -1 0 554.426 4.659 50 0 KJAARM O=C(c1ccco1)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Br)cc2)CC1 ZINC000097992535 554030518 /nfs/dbraw/zinc/03/05/18/554030518.db2.gz AIEZZGONHWZOCT-LJQANCHMSA-N -1 0 554.426 4.659 50 0 KJAARM O=C(c1ccco1)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Br)cc2)CC1 ZINC000097992536 554030601 /nfs/dbraw/zinc/03/06/01/554030601.db2.gz AIEZZGONHWZOCT-IBGZPJMESA-N -1 0 554.426 4.659 50 0 KJAARM CCOC(=O)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000097992539 554030610 /nfs/dbraw/zinc/03/06/10/554030610.db2.gz FROZWCPAWGEVAD-KRWDZBQOSA-N -1 0 522.414 4.927 50 0 KJAARM CCOC(=O)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000097992540 554030578 /nfs/dbraw/zinc/03/05/78/554030578.db2.gz FROZWCPAWGEVAD-QGZVFWFLSA-N -1 0 522.414 4.927 50 0 KJAARM COc1ccc(C)c2sc(N3CCN(C(=O)c4ccccc4[N-]S(=O)(=O)c4ccc(C)cc4)CC3)nc21 ZINC000097994490 554032065 /nfs/dbraw/zinc/03/20/65/554032065.db2.gz UMECHMPSLNPFAU-UHFFFAOYSA-N -1 0 536.679 4.685 50 0 KJAARM COc1ccc2[nH]c(SCC(=O)Nc3cc(NC(=O)CSc4nc5cc(OC)ccc5[nH]4)cc(C(=O)[O-])c3)nc2c1 ZINC000097994893 554033002 /nfs/dbraw/zinc/03/30/02/554033002.db2.gz YSWUERTYFXXAFJ-UHFFFAOYSA-N -1 0 592.659 4.616 50 0 KJAARM O=C(c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000097996148 554038342 /nfs/dbraw/zinc/03/83/42/554038342.db2.gz LBXHWVPBKSKPLX-UHFFFAOYSA-N -1 0 633.373 4.703 50 0 KJAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4c(C)onc4-c4c(Cl)cccc4Cl)CC3)cc21 ZINC000098000372 554050436 /nfs/dbraw/zinc/05/04/36/554050436.db2.gz UGEHTNOMYIOFST-UHFFFAOYSA-N -1 0 632.501 4.966 50 0 KJAARM CCOc1ccc(CCn2c(=O)[nH]c(=O)c3c2NC(c2ccc(OC)cc2)=NC3(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000098003703 554056028 /nfs/dbraw/zinc/05/60/28/554056028.db2.gz XVEXUYAQBIZXBS-UHFFFAOYSA-N -1 0 600.516 4.778 50 0 biogenic KJAARM O=C([N-]C(=O)c1ccc(Cl)cc1Cl)OCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000098005902 554059624 /nfs/dbraw/zinc/05/96/24/554059624.db2.gz UWNNUIDYDSHVMQ-UHFFFAOYSA-N -1 0 525.742 4.749 50 0 KJAARM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=S)NC(=O)C4c5ccccc5Oc5ccccc54)CC3)c(F)cc2c1=O ZINC000098005935 554059596 /nfs/dbraw/zinc/05/95/96/554059596.db2.gz WLFLHLQRPGUWIR-UHFFFAOYSA-N -1 0 598.656 4.635 50 0 KJAARM CCOC(=O)c1c2c(sc1NC(=S)N1CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4CC)CC1)CCCCC2 ZINC000098005936 554059864 /nfs/dbraw/zinc/05/98/64/554059864.db2.gz HHQQNEDILAABGD-UHFFFAOYSA-N -1 0 600.738 4.885 50 0 KJAARM CC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(S(=O)(=O)[N-]c5ncccn5)cc4)c3=O)c2c1-c1ccc(Cl)cc1 ZINC000098007413 554064121 /nfs/dbraw/zinc/06/41/21/554064121.db2.gz VCYPWFRQNNMZDE-UHFFFAOYSA-N -1 0 604.073 4.813 50 0 KJAARM COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)[N-]c5nccs5)cc4)c3n2)cc1 ZINC000098042716 554121728 /nfs/dbraw/zinc/12/17/28/554121728.db2.gz ONYAWRXODWGXOL-UHFFFAOYSA-N -1 0 556.576 4.852 50 0 KJAARM COc1ccc(CCn2c(C)c3c(=O)n(-c4nc5ccccc5s4)[n-]c3c(C(=S)NC(=O)c3ccccc3)c2=O)cc1 ZINC000098042786 554122362 /nfs/dbraw/zinc/12/23/62/554122362.db2.gz RZSQNWVYXOBEMT-UHFFFAOYSA-N -1 0 595.706 4.755 50 0 KJAARM O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)c(C(=O)[O-])c1 ZINC000098045201 554131244 /nfs/dbraw/zinc/13/12/44/554131244.db2.gz ZRKGWNNJFXYJSS-UHFFFAOYSA-N -1 0 532.607 4.599 50 0 KJAARM CCc1cc(Br)ccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)c=2c1=O ZINC000098046019 554135168 /nfs/dbraw/zinc/13/51/68/554135168.db2.gz CEBOYJYQBRCLBF-WYMJOSIYSA-N -1 0 585.462 4.683 50 0 KJAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccc(Br)cc5)C[C@H]4c4ccccc4)c=3c2=O)cc1 ZINC000098046027 554135172 /nfs/dbraw/zinc/13/51/72/554135172.db2.gz ZVDPUOPDUMAJCJ-WYMJOSIYSA-N -1 0 585.462 4.683 50 0 KJAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)c=2c1=O ZINC000098046039 554135617 /nfs/dbraw/zinc/13/56/17/554135617.db2.gz MKGINFLQCADYOG-VXQMPNGUSA-N -1 0 585.462 4.737 50 0 KJAARM COc1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000098047872 554157071 /nfs/dbraw/zinc/15/70/71/554157071.db2.gz GCYFFCMGQFBTCV-UHFFFAOYSA-N -1 0 543.443 4.865 50 0 KJAARM COC(=O)c1sc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000098047923 554157699 /nfs/dbraw/zinc/15/76/99/554157699.db2.gz HRVQSRXCOSVOOO-MRXNPFEDSA-N -1 0 539.418 4.876 50 0 KJAARM COC(=O)c1sc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000098047924 554157667 /nfs/dbraw/zinc/15/76/67/554157667.db2.gz HRVQSRXCOSVOOO-INIZCTEOSA-N -1 0 539.418 4.876 50 0 KJAARM CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)[n-]c(=S)n(Cc3ccc(Cl)cc3)c4=O)CC2)cc1 ZINC000098049318 554164916 /nfs/dbraw/zinc/16/49/16/554164916.db2.gz KHNLGCMXLXOLDN-UHFFFAOYSA-N -1 0 533.053 4.926 50 0 KJAARM CC(=O)c1ccc(N2CCN(C(=O)CCCCCn3c(=O)c4cc(Br)ccc4[n-]c3=S)CC2)cc1 ZINC000098049447 554165970 /nfs/dbraw/zinc/16/59/70/554165970.db2.gz QSOOKJYMORSLHM-UHFFFAOYSA-N -1 0 557.514 4.933 50 0 KJAARM CC[C@H]1CCCCN1C(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1O ZINC000098049769 554168734 /nfs/dbraw/zinc/16/87/34/554168734.db2.gz FKBYGNLKXWIHTL-KRWDZBQOSA-N -1 0 532.460 4.520 50 0 KJAARM CCCC(=O)OC(OC(=O)CCC)OC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@@H]1c1cccc(Cl)c1Cl ZINC000100021567 554181995 /nfs/dbraw/zinc/18/19/95/554181995.db2.gz MJLGXTKOWRZXIB-FQEVSTJZSA-N -1 0 528.385 4.826 50 0 KJAARM CCCC(=O)OC(OC(=O)CCC)OC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@H]1c1cccc(Cl)c1Cl ZINC000100021571 554181944 /nfs/dbraw/zinc/18/19/44/554181944.db2.gz MJLGXTKOWRZXIB-HXUWFJFHSA-N -1 0 528.385 4.826 50 0 KJAARM N=C(NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-])N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000100070107 554200960 /nfs/dbraw/zinc/20/09/60/554200960.db2.gz RDSFVNUCIDKSBE-RUZDIDTESA-N -1 0 576.606 4.646 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)c2ccccc21 ZINC000100073845 554203151 /nfs/dbraw/zinc/20/31/51/554203151.db2.gz HFMDKGKDBPKQHG-NULZLWRNSA-N -1 0 594.645 4.918 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(OC)c2ccccc21 ZINC000100073850 554203136 /nfs/dbraw/zinc/20/31/36/554203136.db2.gz HFMDKGKDBPKQHG-HRIDGTDGSA-N -1 0 594.645 4.918 50 0 KJAARM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000100076417 554204611 /nfs/dbraw/zinc/20/46/11/554204611.db2.gz UHDGCFIVNWSVPR-CFEDROAVSA-N -1 0 606.656 4.902 50 0 KJAARM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000100076422 554204544 /nfs/dbraw/zinc/20/45/44/554204544.db2.gz UHDGCFIVNWSVPR-BFOKUZPWSA-N -1 0 606.656 4.902 50 0 KJAARM COc1cc(/C=C2\SC(=N)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000100102283 554219958 /nfs/dbraw/zinc/21/99/58/554219958.db2.gz FPXYQIZORBJMOM-HQNNINPFSA-N -1 0 542.205 4.739 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000100189624 554243854 /nfs/dbraw/zinc/24/38/54/554243854.db2.gz HINJQSDMYPMCEV-VVOOWDFBSA-N -1 0 577.486 4.608 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000100189630 554243913 /nfs/dbraw/zinc/24/39/13/554243913.db2.gz HINJQSDMYPMCEV-JUTHHCEFSA-N -1 0 577.486 4.608 50 0 KJAARM C[S@@](=O)(=NC(=S)[N-]C(=O)c1cnn2c1nc(C(F)(F)F)cc2C(F)(F)F)c1ccc(Cl)cc1 ZINC000100216858 554250688 /nfs/dbraw/zinc/25/06/88/554250688.db2.gz VCMDGKDQDRMKFZ-XIFFEERXSA-N -1 0 529.875 4.592 50 0 KJAARM CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)sc2=N1 ZINC000100227908 554254062 /nfs/dbraw/zinc/25/40/62/554254062.db2.gz MRPFGRHGRUXJSM-XGLKJEJJSA-N -1 0 612.704 4.864 50 0 KJAARM CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)sc2=N1 ZINC000100227913 554254096 /nfs/dbraw/zinc/25/40/96/554254096.db2.gz MRPFGRHGRUXJSM-RAWKODRKSA-N -1 0 612.704 4.864 50 0 KJAARM O=C([O-])[C@@H](Cc1ccc(O)c(I)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000100233765 554257787 /nfs/dbraw/zinc/25/77/87/554257787.db2.gz ZRJAMVZQFHAZAE-OAQYLSRUSA-N -1 0 529.330 4.531 50 0 KJAARM CN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)/C1=C\C=C\C=C\C1=[N+](C)c2ccc(S(=O)(=O)[O-])cc2C1(C)C ZINC000100265786 554266974 /nfs/dbraw/zinc/26/69/74/554266974.db2.gz XRYTUJRQDOKZAN-UHFFFAOYSA-O -1 0 543.687 4.610 50 0 KJAARM CN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)/C1=C\C=C(\C=C\C1=[N+](C)c2ccc(S(=O)(=O)[O-])cc2C1(C)C)CCCO ZINC000100265789 554266915 /nfs/dbraw/zinc/26/69/15/554266915.db2.gz WEWYZXDKAYRHFP-UHFFFAOYSA-O -1 0 601.767 4.753 50 0 KJAARM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000100275525 554271917 /nfs/dbraw/zinc/27/19/17/554271917.db2.gz QRYIGXPAVBITAB-ZVHZXABRSA-N -1 0 532.574 4.956 50 0 KJAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c([O-])c(Br)c3)C2=O)cc1 ZINC000100275627 554272162 /nfs/dbraw/zinc/27/21/62/554272162.db2.gz VZZNBKLNAZALIQ-OVCLIPMQSA-N -1 0 526.206 4.901 50 0 KJAARM CC[C@]1(C)Cc2ccccc2-c2nc3[n-]nc(SCC(=O)Nc4ccc(OC)c(Cl)c4)n3c(=O)c21 ZINC000100280747 554276605 /nfs/dbraw/zinc/27/66/05/554276605.db2.gz HGLLXPXVUYXOBC-RUZDIDTESA-N -1 0 510.019 4.701 50 0 KJAARM CC[C@@]1(C)Cc2ccccc2-c2nc3[n-]nc(SCC(=O)Nc4ccc(OC)c(Cl)c4)n3c(=O)c21 ZINC000100280749 554276674 /nfs/dbraw/zinc/27/66/74/554276674.db2.gz HGLLXPXVUYXOBC-VWLOTQADSA-N -1 0 510.019 4.701 50 0 KJAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5cccc6ccccc65)C[C@H]4c4ccccc4)c=3c2=O)cc1 ZINC000100490313 554402685 /nfs/dbraw/zinc/40/26/85/554402685.db2.gz YXRWXGLNQSUYFB-SHSRKSKBSA-N -1 0 542.599 4.819 50 0 KJAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5cccc6ccccc65)C[C@H]4c4ccccc4)c=3c2=O)cc1 ZINC000100490319 554402632 /nfs/dbraw/zinc/40/26/32/554402632.db2.gz YXRWXGLNQSUYFB-GNSPLJBXSA-N -1 0 542.599 4.819 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000100524323 554409610 /nfs/dbraw/zinc/40/96/10/554409610.db2.gz BMQWNPFCQMWSQL-WSDUQJHMSA-N -1 0 612.727 4.682 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000100524328 554409549 /nfs/dbraw/zinc/40/95/49/554409549.db2.gz BMQWNPFCQMWSQL-DDYRAIOVSA-N -1 0 612.727 4.682 50 0 KJAARM O=C(N=c1ccn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccs1 ZINC000100573193 554422160 /nfs/dbraw/zinc/42/21/60/554422160.db2.gz VNYSFISWEPPFNL-UHFFFAOYSA-N -1 0 522.011 4.677 50 0 KJAARM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000100590782 554428159 /nfs/dbraw/zinc/42/81/59/554428159.db2.gz GSKBAQTZIBXLSJ-ZEKHAJRLSA-N -1 0 582.659 4.955 50 0 KJAARM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cccs1 ZINC000100590785 554428211 /nfs/dbraw/zinc/42/82/11/554428211.db2.gz GSKBAQTZIBXLSJ-VEOZPNHKSA-N -1 0 582.659 4.955 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)c2ccccc21 ZINC000100618885 554434060 /nfs/dbraw/zinc/43/40/60/554434060.db2.gz HFMDKGKDBPKQHG-USDTVRPUSA-N -1 0 594.645 4.918 50 0 KJAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(OC)c2ccccc21 ZINC000100618886 554434046 /nfs/dbraw/zinc/43/40/46/554434046.db2.gz HFMDKGKDBPKQHG-PKYOQBLNSA-N -1 0 594.645 4.918 50 0 KJAARM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)Nc1ccc2ccccc2c1 ZINC000100656352 554437631 /nfs/dbraw/zinc/43/76/31/554437631.db2.gz MIYHULQEZFNUGE-NGDRWEMDSA-N -1 0 632.758 5.000 50 0 KJAARM CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)[O-])C(=O)Nc1ccc2ccccc2c1 ZINC000100656355 554437578 /nfs/dbraw/zinc/43/75/78/554437578.db2.gz MIYHULQEZFNUGE-OCBJUFRSSA-N -1 0 632.758 5.000 50 0 KJAARM CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc1ccc2ccccc2c1 ZINC000100656358 554437923 /nfs/dbraw/zinc/43/79/23/554437923.db2.gz MIYHULQEZFNUGE-JBOQNHBVSA-N -1 0 632.758 5.000 50 0 KJAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 ZINC000100676978 554443977 /nfs/dbraw/zinc/44/39/77/554443977.db2.gz RVRCQDIRQHTYFS-UHFFFAOYSA-N -1 0 600.122 4.558 50 0 KJAARM O=C([O-])[C@H](CSCc1ccccc1)NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000100689175 554449492 /nfs/dbraw/zinc/44/94/92/554449492.db2.gz MLRGIWPUPJDYPE-DWFNGTSHSA-N -1 0 539.451 4.723 50 0 KJAARM O=C([O-])[C@@H](CSCc1ccccc1)NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000100689177 554449550 /nfs/dbraw/zinc/44/95/50/554449550.db2.gz MLRGIWPUPJDYPE-VKIDYWOHSA-N -1 0 539.451 4.723 50 0 KJAARM CCOc1ccc2nc(NC(=O)C(=O)C(=C([O-])c3ccccc3F)[C@@H]3OC(=O)c4ccccc43)sc2c1 ZINC000100721620 554455660 /nfs/dbraw/zinc/45/56/60/554455660.db2.gz ZELWNOUFNSTJBZ-ZJSXRUAMSA-N -1 0 518.522 4.753 50 0 KJAARM CCOc1ccc2nc(NC(=O)C(=O)C(=C([O-])c3ccccc3F)[C@@H]3OC(=O)c4ccccc43)sc2c1 ZINC000100721622 554455731 /nfs/dbraw/zinc/45/57/31/554455731.db2.gz ZELWNOUFNSTJBZ-XUZZJYLKSA-N -1 0 518.522 4.753 50 0 KJAARM CCOc1ccc2nc(NC(=O)C(=O)C(=C([O-])c3ccccc3F)[C@H]3OC(=O)c4ccccc43)sc2c1 ZINC000100721624 554455667 /nfs/dbraw/zinc/45/56/67/554455667.db2.gz ZELWNOUFNSTJBZ-QPPBQGQZSA-N -1 0 518.522 4.753 50 0 KJAARM CCOc1ccc2nc(NC(=O)C(=O)C(=C([O-])c3ccccc3F)[C@H]3OC(=O)c4ccccc43)sc2c1 ZINC000100721626 554455746 /nfs/dbraw/zinc/45/57/46/554455746.db2.gz ZELWNOUFNSTJBZ-URXFXBBRSA-N -1 0 518.522 4.753 50 0 KJAARM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000100746415 554465015 /nfs/dbraw/zinc/46/50/15/554465015.db2.gz LHJRFOHIPAFZTA-AHQATDLNSA-N -1 0 576.630 4.894 50 0 KJAARM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000100746419 554464939 /nfs/dbraw/zinc/46/49/39/554464939.db2.gz LHJRFOHIPAFZTA-AYTQJLEDSA-N -1 0 576.630 4.894 50 0 KJAARM CCCCOc1ccc([C@]2(C(=O)N[C@@H]3C(=O)N4[C@@H]3SC(C)(C)[C@@H]4C(=O)[O-])CCC[C@H]2Cc2ccccc2)cc1 ZINC000100758368 554467317 /nfs/dbraw/zinc/46/73/17/554467317.db2.gz IANGZIANUPJCHX-UGNMGFQRSA-N -1 0 550.721 4.778 50 0 biogenic KJAARM CCCCOc1ccc([C@]2(C(=O)N[C@@H]3C(=O)N4[C@@H]3SC(C)(C)[C@@H]4C(=O)[O-])CCC[C@@H]2Cc2ccccc2)cc1 ZINC000100758373 554467351 /nfs/dbraw/zinc/46/73/51/554467351.db2.gz IANGZIANUPJCHX-WRYDTNEDSA-N -1 0 550.721 4.778 50 0 biogenic KJAARM CCN(CC)C(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)c1ccccc1 ZINC000100815735 554476173 /nfs/dbraw/zinc/47/61/73/554476173.db2.gz OCIPQRKADQSISL-OAHLLOKOSA-N -1 0 549.190 4.796 50 0 KJAARM CCN(CC)C(=O)[C@@H](Cc1cc(I)c([O-])c(I)c1)c1ccccc1 ZINC000100815736 554476246 /nfs/dbraw/zinc/47/62/46/554476246.db2.gz OCIPQRKADQSISL-HNNXBMFYSA-N -1 0 549.190 4.796 50 0 KJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2ccccc2)CC(c2ccc(Cl)cc2)=N3)cc1 ZINC000100817286 554477813 /nfs/dbraw/zinc/47/78/13/554477813.db2.gz PYTGJFVFVYKJMA-QHCPKHFHSA-N -1 0 521.002 4.747 50 0 KJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2ccccc2)CC(c2ccc(Cl)cc2)=N3)cc1 ZINC000100817289 554477774 /nfs/dbraw/zinc/47/77/74/554477774.db2.gz PYTGJFVFVYKJMA-HSZRJFAPSA-N -1 0 521.002 4.747 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000100859899 554494396 /nfs/dbraw/zinc/49/43/96/554494396.db2.gz UVJQZPSMGXPSJC-AYRHNUGRSA-N -1 0 577.428 4.673 50 0 KJAARM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000100859900 554494388 /nfs/dbraw/zinc/49/43/88/554494388.db2.gz UVJQZPSMGXPSJC-DMTNHVFBSA-N -1 0 577.428 4.673 50 0 KJAARM COCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000100872564 554501283 /nfs/dbraw/zinc/50/12/83/554501283.db2.gz AGJZUVZFVUAZEK-LCUIJRPUSA-N -1 0 560.495 4.962 50 0 KJAARM CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1)n2CCOC ZINC000100873238 554502277 /nfs/dbraw/zinc/50/22/77/554502277.db2.gz YUVKETCJCINJFN-RQZHXJHFSA-N -1 0 525.652 4.598 50 0 KJAARM CCOCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000100873535 554502544 /nfs/dbraw/zinc/50/25/44/554502544.db2.gz XPLZTOJFVVBAQU-RFBIWTDZSA-N -1 0 513.616 4.729 50 0 KJAARM COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2nc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)nn21 ZINC000100876614 554504482 /nfs/dbraw/zinc/50/44/82/554504482.db2.gz FQTGLOFBRWLYCJ-QHCPKHFHSA-N -1 0 551.028 4.755 50 0 KJAARM COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=Nc2nc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)nn21 ZINC000100876619 554504454 /nfs/dbraw/zinc/50/44/54/554504454.db2.gz FQTGLOFBRWLYCJ-HSZRJFAPSA-N -1 0 551.028 4.755 50 0 KJAARM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 ZINC000100884633 554508409 /nfs/dbraw/zinc/50/84/09/554508409.db2.gz DPSCPAUNQJIQFK-ZLNRFVROSA-N -1 0 509.356 4.517 50 0 KJAARM COCCn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000100910493 554517354 /nfs/dbraw/zinc/51/73/54/554517354.db2.gz SOCKGMNVBNFIOA-RQZHXJHFSA-N -1 0 509.653 4.816 50 0 KJAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(-c3ccccc3)n2)cc1 ZINC000100972267 554544245 /nfs/dbraw/zinc/54/42/45/554544245.db2.gz BAPWEKVCYFDEJG-UHFFFAOYSA-N -1 0 549.678 4.816 50 0 KJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2ccc(F)cc2)CC(c2ccc(Cl)cc2)=N3)cc1 ZINC000100999360 554552091 /nfs/dbraw/zinc/55/20/91/554552091.db2.gz GDGXUYNVJVALNI-QHCPKHFHSA-N -1 0 538.992 4.886 50 0 KJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2ccc(F)cc2)CC(c2ccc(Cl)cc2)=N3)cc1 ZINC000100999361 554552037 /nfs/dbraw/zinc/55/20/37/554552037.db2.gz GDGXUYNVJVALNI-HSZRJFAPSA-N -1 0 538.992 4.886 50 0 KJAARM O=C([O-])[C@H](Oc1c(I)cc(I)cc1I)c1ccccc1 ZINC000101014750 554559031 /nfs/dbraw/zinc/55/90/31/554559031.db2.gz NEBCYCQOXXVBHK-GFCCVEGCSA-N -1 0 605.935 4.705 50 0 KJAARM O=C([O-])[C@@H](Oc1c(I)cc(I)cc1I)c1ccccc1 ZINC000101014754 554559101 /nfs/dbraw/zinc/55/91/01/554559101.db2.gz NEBCYCQOXXVBHK-LBPRGKRZSA-N -1 0 605.935 4.705 50 0 KJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2ccc(Cl)cc2)CC(c2ccccc2)=N3)cc1 ZINC000101018345 554561298 /nfs/dbraw/zinc/56/12/98/554561298.db2.gz CZYLEUZRSLZSRS-QHCPKHFHSA-N -1 0 521.002 4.747 50 0 KJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)CC(c2ccccc2)=N3)cc1 ZINC000101018347 554561357 /nfs/dbraw/zinc/56/13/57/554561357.db2.gz CZYLEUZRSLZSRS-HSZRJFAPSA-N -1 0 521.002 4.747 50 0 KJAARM Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)nnc2-c2ccco2)cc1 ZINC000101037461 554566928 /nfs/dbraw/zinc/56/69/28/554566928.db2.gz ODMUYMASEPESOZ-UHFFFAOYSA-N -1 0 552.663 4.824 50 0 KJAARM Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)nnc2-c2ccco2)cc1 ZINC000101037465 554566883 /nfs/dbraw/zinc/56/68/83/554566883.db2.gz RCXSZLADOFRYKD-UHFFFAOYSA-N -1 0 575.676 4.774 50 0 KJAARM O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000101037477 554566920 /nfs/dbraw/zinc/56/69/20/554566920.db2.gz NNXQECORVYJFAY-UHFFFAOYSA-N -1 0 558.692 4.636 50 0 KJAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)c=2c1=O ZINC000101070440 554574625 /nfs/dbraw/zinc/57/46/25/554574625.db2.gz MKGINFLQCADYOG-RELGLDOUSA-N -1 0 585.462 4.737 50 0 KJAARM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000101081199 554578932 /nfs/dbraw/zinc/57/89/32/554578932.db2.gz AOSMQUGFTDUVIK-XPNTWCBSSA-N -1 0 543.359 4.760 50 0 KJAARM COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101120555 554643645 /nfs/dbraw/zinc/64/36/45/554643645.db2.gz WDKOIKGDAKLJBU-KWYVSSJISA-N -1 0 508.574 4.656 50 0 KJAARM COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc(C(=O)[O-])cc4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000101155945 554658620 /nfs/dbraw/zinc/65/86/20/554658620.db2.gz WTAOFKRLBUJZJI-ZEQRLZLVSA-N -1 0 528.590 4.571 50 0 KJAARM COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc(C(=O)[O-])cc4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000101155947 554658551 /nfs/dbraw/zinc/65/85/51/554658551.db2.gz WTAOFKRLBUJZJI-RPWUZVMVSA-N -1 0 528.590 4.571 50 0 KJAARM COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc(C(=O)[O-])cc4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000101155948 554658600 /nfs/dbraw/zinc/65/86/00/554658600.db2.gz WTAOFKRLBUJZJI-BJKOFHAPSA-N -1 0 528.590 4.571 50 0 KJAARM COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc(C(=O)[O-])cc4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000101155949 554658665 /nfs/dbraw/zinc/65/86/65/554658665.db2.gz WTAOFKRLBUJZJI-DNQXCXABSA-N -1 0 528.590 4.571 50 0 KJAARM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101177505 554665310 /nfs/dbraw/zinc/66/53/10/554665310.db2.gz IFYYYSKSSMBLCP-VJGNERBWSA-N -1 0 502.567 4.934 50 0 KJAARM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(OCC)c4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101183051 554668469 /nfs/dbraw/zinc/66/84/69/554668469.db2.gz YRKQSZPBURBSRY-PFBJBMPXSA-N -1 0 502.567 4.934 50 0 KJAARM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(OC)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101216758 554684595 /nfs/dbraw/zinc/68/45/95/554684595.db2.gz YDNHMQNYNWAOBK-VJGNERBWSA-N -1 0 502.567 4.934 50 0 KJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NCCc5ccc(OC)cc5OC)cc4)c3=O)c2c1 ZINC000101271037 554700766 /nfs/dbraw/zinc/70/07/66/554700766.db2.gz LECHKKVUWCRFJL-UHFFFAOYSA-N -1 0 544.633 4.587 50 0 KJAARM COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)[n-]c2=O)cc1Cl ZINC000101273301 554701662 /nfs/dbraw/zinc/70/16/62/554701662.db2.gz OXEVENYWQRMDRE-UHFFFAOYSA-N -1 0 572.064 4.575 50 0 KJAARM CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(C(=O)[O-])cc3)nn2[C@@H]1c1ccc(Br)cc1 ZINC000101288709 554706923 /nfs/dbraw/zinc/70/69/23/554706923.db2.gz MVJZEQKYQXWLCU-LJQANCHMSA-N -1 0 529.416 4.883 50 0 KJAARM CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(C(=O)[O-])cc3)nn2[C@H]1c1ccc(Br)cc1 ZINC000101288713 554706894 /nfs/dbraw/zinc/70/68/94/554706894.db2.gz MVJZEQKYQXWLCU-IBGZPJMESA-N -1 0 529.416 4.883 50 0 KJAARM Cc1ccc(-c2nc(SCC(=O)N3CCN(c4ccccc4)CC3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000101291210 554708591 /nfs/dbraw/zinc/70/85/91/554708591.db2.gz FUOFTYKKPPORHS-UHFFFAOYSA-N -1 0 532.691 4.659 50 0 KJAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000101291357 554708696 /nfs/dbraw/zinc/70/86/96/554708696.db2.gz QPPHYUQPHMQZMZ-UHFFFAOYSA-N -1 0 532.691 4.659 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc(O)c(CC(=O)Nc3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000101294732 554711574 /nfs/dbraw/zinc/71/15/74/554711574.db2.gz GBVMDCBNJHTGNU-DQEYMECFSA-N -1 0 542.617 4.880 50 0 KJAARM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc(O)c(CC(=O)Nc3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000101294734 554711524 /nfs/dbraw/zinc/71/15/24/554711524.db2.gz GBVMDCBNJHTGNU-RPBOFIJWSA-N -1 0 542.617 4.880 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc(O)c(CC(=O)Nc3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000101294738 554711555 /nfs/dbraw/zinc/71/15/55/554711555.db2.gz GBVMDCBNJHTGNU-LOSJGSFVSA-N -1 0 542.617 4.880 50 0 KJAARM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc(O)c(CC(=O)Nc3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000101294744 554711536 /nfs/dbraw/zinc/71/15/36/554711536.db2.gz GBVMDCBNJHTGNU-JWQCQUIFSA-N -1 0 542.617 4.880 50 0 KJAARM COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc(OC)c(OC)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000101294762 554711490 /nfs/dbraw/zinc/71/14/90/554711490.db2.gz QQMVTUHMRJYXKH-OZXSUGGESA-N -1 0 544.633 4.890 50 0 KJAARM COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc(OC)c(OC)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000101294770 554711549 /nfs/dbraw/zinc/71/15/49/554711549.db2.gz QQMVTUHMRJYXKH-BVAGGSTKSA-N -1 0 544.633 4.890 50 0 KJAARM COc1ccc(C2=NN(c3nc(O)c(CC(=O)Nc4ccc(OC)c(OC)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000101294775 554711533 /nfs/dbraw/zinc/71/15/33/554711533.db2.gz QQMVTUHMRJYXKH-JYFHCDHNSA-N -1 0 544.633 4.890 50 0 KJAARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)c(OC)c1 ZINC000101352359 554738536 /nfs/dbraw/zinc/73/85/36/554738536.db2.gz PCWIEKQAWNNHPH-UHFFFAOYSA-N -1 0 595.699 4.890 50 0 KJAARM O=C([O-])[C@@H](CSCc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000101357511 554740632 /nfs/dbraw/zinc/74/06/32/554740632.db2.gz AYUKBZSHVPTERM-WUFINQPMSA-N -1 0 607.729 4.881 50 0 KJAARM O=C([O-])[C@@H](CSCc1ccccc1)NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000101357514 554740658 /nfs/dbraw/zinc/74/06/58/554740658.db2.gz AYUKBZSHVPTERM-VSGBNLITSA-N -1 0 607.729 4.881 50 0 KJAARM O=C([O-])[C@H](CSCc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000101357518 554740672 /nfs/dbraw/zinc/74/06/72/554740672.db2.gz AYUKBZSHVPTERM-NSOVKSMOSA-N -1 0 607.729 4.881 50 0 KJAARM O=C([O-])[C@H](CSCc1ccccc1)NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000101357522 554740642 /nfs/dbraw/zinc/74/06/42/554740642.db2.gz AYUKBZSHVPTERM-IZLXSDGUSA-N -1 0 607.729 4.881 50 0 KJAARM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc2c(cc1SCc1ccco1)n(C)c(=O)n2C ZINC000101367668 554743959 /nfs/dbraw/zinc/74/39/59/554743959.db2.gz FNKSPLKYIKUOGE-UHFFFAOYSA-N -1 0 522.446 4.634 50 0 KJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](C(=O)NCCCC(=O)[O-])c1ccccc1)occ3C(C)(C)C ZINC000101369613 554744428 /nfs/dbraw/zinc/74/44/28/554744428.db2.gz YNTBNYQKYOCBLH-NDEPHWFRSA-N -1 0 546.620 4.916 50 0 KJAARM C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]C(=O)c4ccccc4)cc3)c1)c1ccccc1O2 ZINC000101378765 554747463 /nfs/dbraw/zinc/74/74/63/554747463.db2.gz BZZHJDJCJUPODP-MXBOTTGLSA-N -1 0 582.638 4.827 50 0 KJAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(NCCc3c(C)[nH]c4ccc(OC)cc43)c3ccc(C)cc3)C2=O)cc1 ZINC000101380847 554748393 /nfs/dbraw/zinc/74/83/93/554748393.db2.gz YQHBBGHSHGMAQW-BYYHNAKLSA-N -1 0 538.604 4.628 50 0 KJAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(NCCc3c[nH]c4ccc(OC)cc34)c3ccc(Cl)cc3)C2=O)cc1 ZINC000101380861 554748402 /nfs/dbraw/zinc/74/84/02/554748402.db2.gz HDTWMQXEYUUAJI-OCEACIFDSA-N -1 0 544.995 4.665 50 0 KJAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(NCCc3c(C)[nH]c4ccc(OC)cc43)c3ccc(Cl)cc3)C2=O)cc1 ZINC000101380871 554748397 /nfs/dbraw/zinc/74/83/97/554748397.db2.gz 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/nfs/dbraw/zinc/79/76/70/554797670.db2.gz JWRZEDHWGMBZBO-UHFFFAOYSA-N -1 0 544.054 4.592 50 0 KJAARM CC(=O)c1ccc(N2CCN(c3cc(C(=O)[O-])c4cc(NS(=O)(=O)c5cccc(C)c5)ccc4n3)CC2)cc1 ZINC000101622491 554809882 /nfs/dbraw/zinc/80/98/82/554809882.db2.gz UXCIYNVRDIHSBO-UHFFFAOYSA-N -1 0 544.633 4.571 50 0 KJAARM CC(=O)c1ccc(N2CCN(c3cc(C(=O)[O-])c4cc(NS(=O)(=O)c5ccc(C)cc5)ccc4n3)CC2)cc1 ZINC000101622502 554809905 /nfs/dbraw/zinc/80/99/05/554809905.db2.gz YVVGGRNKBHYSDR-UHFFFAOYSA-N -1 0 544.633 4.571 50 0 KJAARM CC(=O)c1ccc(N2CCN(c3cc(C(=O)[O-])c4cc(NS(=O)(=O)c5ccccc5C)ccc4n3)CC2)cc1 ZINC000101622525 554809963 /nfs/dbraw/zinc/80/99/63/554809963.db2.gz AHAQSEZHYCYGMP-UHFFFAOYSA-N -1 0 544.633 4.571 50 0 KJAARM COc1ccccc1NC(=O)c1nc[n-]c1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000101622539 554809992 /nfs/dbraw/zinc/80/99/92/554809992.db2.gz OJPXMALJCJTNOC-UHFFFAOYSA-N -1 0 519.355 4.916 50 0 KJAARM CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nnc(SCc2ccc(C(=O)[O-])cc2)s1 ZINC000101623898 554811008 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/nfs/dbraw/zinc/82/28/10/554822810.db2.gz STHSKJRMLHUAET-UHFFFAOYSA-N -1 0 556.516 4.826 50 0 KJAARM CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000101670897 554824192 /nfs/dbraw/zinc/82/41/92/554824192.db2.gz MTOWHSWHTBFYKC-SVBPBHIXSA-N -1 0 577.722 4.524 50 0 KJAARM CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000101671187 554824668 /nfs/dbraw/zinc/82/46/68/554824668.db2.gz MTOWHSWHTBFYKC-KAYWLYCHSA-N -1 0 577.722 4.524 50 0 KJAARM CC(C)(C)OC(=O)N[C@@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000101683570 554828764 /nfs/dbraw/zinc/82/87/64/554828764.db2.gz MIUPUEUUCRGKIO-SVBPBHIXSA-N -1 0 574.630 4.658 50 0 KJAARM CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)[O-])COC1(C)C ZINC000101683621 554828697 /nfs/dbraw/zinc/82/86/97/554828697.db2.gz SCQJDNYUMSKATK-FTJBHMTQSA-N -1 0 595.693 4.637 50 0 KJAARM CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)[O-])COC1(C)C ZINC000101683624 554828677 /nfs/dbraw/zinc/82/86/77/554828677.db2.gz SCQJDNYUMSKATK-UIOOFZCWSA-N -1 0 595.693 4.637 50 0 KJAARM CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)[O-])COC1(C)C ZINC000101683629 554828938 /nfs/dbraw/zinc/82/89/38/554828938.db2.gz SCQJDNYUMSKATK-CLJLJLNGSA-N -1 0 595.693 4.637 50 0 KJAARM CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@@H](C(=O)[O-])COC1(C)C ZINC000101683634 554828931 /nfs/dbraw/zinc/82/89/31/554828931.db2.gz SCQJDNYUMSKATK-IZZNHLLZSA-N -1 0 595.693 4.637 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(C)c2C)c1Oc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000101729621 554833167 /nfs/dbraw/zinc/83/31/67/554833167.db2.gz BQIPMYPXRNGUMN-UHFFFAOYSA-N -1 0 584.695 4.684 50 0 KJAARM COc1ccc(C(=O)Nc2ccc(Oc3c(C)c(C(=O)[O-])nn3C)c(S(=O)(=O)NC(C)(C)C)c2)cc1C(F)(F)F ZINC000101734868 554833728 /nfs/dbraw/zinc/83/37/28/554833728.db2.gz 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554838471 /nfs/dbraw/zinc/83/84/71/554838471.db2.gz BVTTVHWIRCWWBM-UHFFFAOYSA-N -1 0 606.657 4.781 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(C)cc2)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NCc1ccco1 ZINC000101783695 554838544 /nfs/dbraw/zinc/83/85/44/554838544.db2.gz SYNMCUFWEIPFBI-UHFFFAOYSA-N -1 0 552.609 4.646 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccccc2C)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NCc1ccco1 ZINC000101783704 554838587 /nfs/dbraw/zinc/83/85/87/554838587.db2.gz FTMAIZZVRWCDAN-UHFFFAOYSA-N -1 0 552.609 4.646 50 0 KJAARM O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000101786963 554838719 /nfs/dbraw/zinc/83/87/19/554838719.db2.gz ZLHGPYDCTXLOSU-FRQCXROJSA-N -1 0 515.307 4.875 50 0 KJAARM O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000101786967 554838649 /nfs/dbraw/zinc/83/86/49/554838649.db2.gz ZLHGPYDCTXLOSU-GPMSIDNRSA-N -1 0 515.307 4.875 50 0 KJAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000101793608 554839280 /nfs/dbraw/zinc/83/92/80/554839280.db2.gz FBNHUZWGMAKQSY-UHFFFAOYSA-N -1 0 544.054 4.592 50 0 KJAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000101793620 554839188 /nfs/dbraw/zinc/83/91/88/554839188.db2.gz JKMXYOPUWGZYCK-UHFFFAOYSA-N -1 0 544.054 4.592 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cc(C)ccc2C)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)NC(C)C ZINC000101811667 554839773 /nfs/dbraw/zinc/83/97/73/554839773.db2.gz FLIGUCNHFLESRI-UHFFFAOYSA-N -1 0 542.658 4.959 50 0 KJAARM CC(C)C[C@@H](C)[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cc(F)ccc4F)ccc3n2)CC1 ZINC000101813862 554839892 /nfs/dbraw/zinc/83/98/92/554839892.db2.gz IEAISOOVVZZUDR-QGZVFWFLSA-N -1 0 532.613 4.569 50 0 KJAARM CC(C)C[C@H](C)[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cc(F)ccc4F)ccc3n2)CC1 ZINC000101813867 554839982 /nfs/dbraw/zinc/83/99/82/554839982.db2.gz IEAISOOVVZZUDR-KRWDZBQOSA-N -1 0 532.613 4.569 50 0 KJAARM 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CC(C)Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccn5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000101873369 554845750 /nfs/dbraw/zinc/84/57/50/554845750.db2.gz SSMGMPZPFHVUMQ-UHFFFAOYSA-N -1 0 545.665 4.654 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cc(C)ccc2C)c1Oc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)NC(C)C ZINC000101917742 554850893 /nfs/dbraw/zinc/85/08/93/554850893.db2.gz YHCOTEPSHTZXTC-UHFFFAOYSA-N -1 0 606.657 4.956 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(C)cc2)c1Oc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)NC(C)C ZINC000101917767 554850926 /nfs/dbraw/zinc/85/09/26/554850926.db2.gz AWGIUECBMVEATR-UHFFFAOYSA-N -1 0 540.642 4.795 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(C)cc2)c1Oc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)NC(C)C ZINC000101917775 554851128 /nfs/dbraw/zinc/85/11/28/554851128.db2.gz ZNJCDYGVDPYFPD-UHFFFAOYSA-N -1 0 592.630 4.647 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccccc2C)c1Oc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)NC(C)C ZINC000101917839 554851168 /nfs/dbraw/zinc/85/11/68/554851168.db2.gz AWOWFHYYKCZWFG-UHFFFAOYSA-N -1 0 554.650 4.980 50 0 KJAARM COc1cccc(COc2ccc(-c3nc(=O)c(CCC(=O)N4CCC(Cc5ccccc5)CC4)n[n-]3)cc2OC)c1 ZINC000101958784 554853354 /nfs/dbraw/zinc/85/33/54/554853354.db2.gz PMMOQRWUJVJWHL-UHFFFAOYSA-N -1 0 568.674 4.842 50 0 KJAARM CCOC(=O)c1ccc(-c2coc3cc(OC(=O)[C@@H](NC(=O)OCc4ccccc4)C(C)C)cc(=O)c-3c2[O-])o1 ZINC000101968452 554854195 /nfs/dbraw/zinc/85/41/95/554854195.db2.gz RALIBZKDNYJADN-VWLOTQADSA-N -1 0 549.532 4.792 50 0 KJAARM CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Br)cc1)C(=O)[O-] ZINC000101968746 554854338 /nfs/dbraw/zinc/85/43/38/554854338.db2.gz KPBSHIAMKZYHCY-RMKBEBRYSA-N -1 0 583.435 4.551 50 0 KJAARM CSC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Br)cc1)C(=O)[O-] ZINC000101968859 554854357 /nfs/dbraw/zinc/85/43/57/554854357.db2.gz WWIHRFCFRMBMIG-LJQANCHMSA-N -1 0 530.396 4.752 50 0 KJAARM CC(C)c1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccn5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000101979049 554863376 /nfs/dbraw/zinc/86/33/76/554863376.db2.gz ISXAMOYWMVKMGW-UHFFFAOYSA-N -1 0 531.638 4.579 50 0 KJAARM CCc1cc(Br)ccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)c=2c1=O ZINC000101999850 554865587 /nfs/dbraw/zinc/86/55/87/554865587.db2.gz CEBOYJYQBRCLBF-OIKPOIBNSA-N -1 0 585.462 4.683 50 0 KJAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccc(Br)cc5)C[C@H]4c4ccccc4)c=3c2=O)cc1 ZINC000101999928 554865846 /nfs/dbraw/zinc/86/58/46/554865846.db2.gz ZVDPUOPDUMAJCJ-OIKPOIBNSA-N -1 0 585.462 4.683 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000102034169 554868539 /nfs/dbraw/zinc/86/85/39/554868539.db2.gz IZDJDCWOGTWSLF-QGZVFWFLSA-N -1 0 540.642 4.795 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000102034175 554868554 /nfs/dbraw/zinc/86/85/54/554868554.db2.gz IZDJDCWOGTWSLF-KRWDZBQOSA-N -1 0 540.642 4.795 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(C)c1C ZINC000102034265 554868851 /nfs/dbraw/zinc/86/88/51/554868851.db2.gz 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/nfs/dbraw/zinc/90/02/47/554900247.db2.gz MZUFLOLDMMWSEA-UHFFFAOYSA-N -1 0 597.671 4.572 50 0 KJAARM O=S(=O)([N-]c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1)c1ccc(F)c(F)c1 ZINC000102243466 554903223 /nfs/dbraw/zinc/90/32/23/554903223.db2.gz CTENDCOUIKPCBO-UHFFFAOYSA-N -1 0 528.002 4.820 50 0 KJAARM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(F)cc5F)cc4)cn3)n2)cc1 ZINC000102278339 554906593 /nfs/dbraw/zinc/90/65/93/554906593.db2.gz IFUAOZKEHITITL-UHFFFAOYSA-N -1 0 523.521 4.736 50 0 KJAARM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccccc5F)cc4)cn3)n2)cc1OC ZINC000102278399 554906588 /nfs/dbraw/zinc/90/65/88/554906588.db2.gz OTGSSTYWINGZAF-UHFFFAOYSA-N -1 0 535.557 4.606 50 0 KJAARM COc1ccc(NC(=O)c2cc(C)ccc2C)cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000102284566 554907366 /nfs/dbraw/zinc/90/73/66/554907366.db2.gz HFLDDTOPNFUMOE-UHFFFAOYSA-N -1 0 536.391 4.970 50 0 KJAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NS(=O)(=O)c5ccc(F)cc5)ccc4n3)CC2)c1C ZINC000102314028 554910236 /nfs/dbraw/zinc/91/02/36/554910236.db2.gz QVUCJNMXKTXUCT-UHFFFAOYSA-N -1 0 534.613 4.816 50 0 KJAARM Cc1ccc(C)c(N2CCN(c3cc(C(=O)[O-])c4cc(NS(=O)(=O)c5ccc(F)cc5)ccc4n3)CC2)c1 ZINC000102314032 554910228 /nfs/dbraw/zinc/91/02/28/554910228.db2.gz ATWNWFWEGGKASH-UHFFFAOYSA-N -1 0 534.613 4.816 50 0 KJAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccc5)CC4)cc(C(=O)[O-])c3c2)c(C)c1 ZINC000102314085 554910279 /nfs/dbraw/zinc/91/02/79/554910279.db2.gz PYSKYNONPVJKJS-UHFFFAOYSA-N -1 0 530.650 4.986 50 0 KJAARM COc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5cccc(C)c5C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000102314101 554910208 /nfs/dbraw/zinc/91/02/08/554910208.db2.gz NYYCRQIPPPBXBI-UHFFFAOYSA-N -1 0 546.649 4.686 50 0 KJAARM COc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5cc(C)ccc5C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000102314104 554910216 /nfs/dbraw/zinc/91/02/16/554910216.db2.gz HASAXRNPCPNZIC-UHFFFAOYSA-N -1 0 546.649 4.686 50 0 KJAARM Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5cccc(C)c5C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000102314188 554910533 /nfs/dbraw/zinc/91/05/33/554910533.db2.gz XSDFQLVOWXQSDF-UHFFFAOYSA-N -1 0 530.650 4.986 50 0 KJAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccc(F)cc5)CC4)cc(C(=O)[O-])c3c2)c1 ZINC000102314254 554910521 /nfs/dbraw/zinc/91/05/21/554910521.db2.gz DQENBKNRZJWRMJ-UHFFFAOYSA-N -1 0 534.613 4.816 50 0 KJAARM COc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4cc(C)ccc4C)ccc3n2)CC1 ZINC000102314261 554910608 /nfs/dbraw/zinc/91/06/08/554910608.db2.gz IZBVKEARDKLFKL-UHFFFAOYSA-N -1 0 546.649 4.686 50 0 KJAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccc5F)CC4)cc(C(=O)[O-])c3c2)c1 ZINC000102314275 554910604 /nfs/dbraw/zinc/91/06/04/554910604.db2.gz VUXAOCQWEVQAAU-UHFFFAOYSA-N -1 0 534.613 4.816 50 0 KJAARM Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccc(F)cc5)CC4)cc(C(=O)[O-])c3c2)c(C)c1 ZINC000102314359 554910517 /nfs/dbraw/zinc/91/05/17/554910517.db2.gz ZFKNBRNDJVCZCJ-UHFFFAOYSA-N -1 0 534.613 4.816 50 0 KJAARM COc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(C)cc4C)ccc3n2)CC1 ZINC000102314365 554910620 /nfs/dbraw/zinc/91/06/20/554910620.db2.gz YZFFMWGENDZBCJ-UHFFFAOYSA-N -1 0 546.649 4.686 50 0 KJAARM Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccc5F)CC4)cc(C(=O)[O-])c3c2)c(C)c1 ZINC000102314381 554910542 /nfs/dbraw/zinc/91/05/42/554910542.db2.gz URLKCFVYXFOZTN-UHFFFAOYSA-N -1 0 534.613 4.816 50 0 KJAARM Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccc(F)cc5)CC4)cc(C(=O)[O-])c3c2)cc1C ZINC000102314408 554910788 /nfs/dbraw/zinc/91/07/88/554910788.db2.gz VMEFEBMRMUPNRS-UHFFFAOYSA-N -1 0 534.613 4.816 50 0 KJAARM COc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(C)c(C)c4)ccc3n2)CC1 ZINC000102314411 554910749 /nfs/dbraw/zinc/91/07/49/554910749.db2.gz MTHMFPLIZVKOLT-UHFFFAOYSA-N -1 0 546.649 4.686 50 0 KJAARM Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccc5F)CC4)cc(C(=O)[O-])c3c2)cc1C ZINC000102314420 554910755 /nfs/dbraw/zinc/91/07/55/554910755.db2.gz PUZMASXRHYFEDQ-UHFFFAOYSA-N -1 0 534.613 4.816 50 0 KJAARM CCc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccc(F)cc5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000102314487 554910769 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4.883 50 0 KJAARM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)C1 ZINC000102894258 555132268 /nfs/dbraw/zinc/13/22/68/555132268.db2.gz MTIFONSEEQXCGN-MAUKXSAKSA-N -1 0 531.432 4.883 50 0 KJAARM COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000102909111 555141983 /nfs/dbraw/zinc/14/19/83/555141983.db2.gz XXFBGOQROSCMKF-UHFFFAOYSA-N -1 0 529.578 4.897 50 0 KJAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000102926410 555150889 /nfs/dbraw/zinc/15/08/89/555150889.db2.gz GLEFYLWMAPOUFW-UHFFFAOYSA-N -1 0 537.667 4.657 50 0 KJAARM CCOc1cc(C(=O)NC(=S)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc(OCC)c1OCC ZINC000102929532 555155335 /nfs/dbraw/zinc/15/53/35/555155335.db2.gz ZXOLCGYOMZOHEK-UHFFFAOYSA-N -1 0 549.696 4.872 50 0 KJAARM CCOC(=O)c1c2c(sc1N1C(=O)c3ccccc3C(=CNc3ccc(C(=O)[O-])c(O)c3)C1=O)CCCC2 ZINC000102931513 1066370907 /nfs/dbraw/zinc/37/09/07/1066370907.db2.gz BVJYFCJYJBPNTP-XSFVSMFZSA-N -1 0 532.574 4.847 50 0 KJAARM 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4.902 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=S)N=P(c2ccncc2)(N(C)C)N(C)C)ccc1Cl ZINC000102934751 555161812 /nfs/dbraw/zinc/16/18/12/555161812.db2.gz RKUIPKANVMIUTF-UHFFFAOYSA-N -1 0 567.077 4.721 50 0 KJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c1 ZINC000102935822 555163223 /nfs/dbraw/zinc/16/32/23/555163223.db2.gz IKDAFJMIZJVAKN-KGENOOAVSA-N -1 0 578.093 4.677 50 0 KJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NCCN2C(=O)S/C(=C\c3cccs3)C2=O)c1 ZINC000102935826 1066514227 /nfs/dbraw/zinc/51/42/27/1066514227.db2.gz IKDAFJMIZJVAKN-STZFKDTASA-N -1 0 578.093 4.677 50 0 KJAARM CCCCNc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000102938034 555166140 /nfs/dbraw/zinc/16/61/40/555166140.db2.gz NGYOSDNTEXNDNN-UHFFFAOYSA-N -1 0 558.726 4.833 50 0 KJAARM COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3cc(S(=O)(=O)[N-]c4ccccc4OC)ccc3C)c2)cc1 ZINC000102938562 555167021 /nfs/dbraw/zinc/16/70/21/555167021.db2.gz IATANOJXEAFXFJ-UHFFFAOYSA-N -1 0 597.671 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KJAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc4ccccc43)c(=O)c1=2)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000103085859 555264466 /nfs/dbraw/zinc/26/44/66/555264466.db2.gz PVXDJLRZJUVMAK-CRXYYGHGSA-N -1 0 528.572 4.511 50 0 KJAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc4ccccc43)c(=O)c1=2)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000103085861 555264503 /nfs/dbraw/zinc/26/45/03/555264503.db2.gz PVXDJLRZJUVMAK-WIIGKZCBSA-N -1 0 528.572 4.511 50 0 KJAARM CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(F)cc2)c(S(=O)(=O)NCC(C)C)c1 ZINC000103087594 555266504 /nfs/dbraw/zinc/26/65/04/555266504.db2.gz DLFHVPCUGXKPCV-MRXNPFEDSA-N -1 0 546.621 4.729 50 0 KJAARM CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(F)cc2)c(S(=O)(=O)NCC(C)C)c1 ZINC000103087597 555266531 /nfs/dbraw/zinc/26/65/31/555266531.db2.gz DLFHVPCUGXKPCV-INIZCTEOSA-N -1 0 546.621 4.729 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccc(OC)c(C(F)(F)F)c2)ccc1Oc1c(C)c(C(=O)[O-])nn1C ZINC000103087861 555266720 /nfs/dbraw/zinc/26/67/20/555266720.db2.gz 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555317147 /nfs/dbraw/zinc/31/71/47/555317147.db2.gz UCOWAOOPODWUDL-GZGNHOFSSA-N -1 0 547.402 4.665 50 0 KJAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3c(Cl)cccc3Cl)c(=O)c1=2)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000103151460 555317063 /nfs/dbraw/zinc/31/70/63/555317063.db2.gz UCOWAOOPODWUDL-QQKQFIJSSA-N -1 0 547.402 4.665 50 0 KJAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000103152271 555318387 /nfs/dbraw/zinc/31/83/87/555318387.db2.gz YZBRPNBNMXSBNF-GPXOXTDOSA-N -1 0 547.402 4.665 50 0 KJAARM O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000103152275 555318354 /nfs/dbraw/zinc/31/83/54/555318354.db2.gz YZBRPNBNMXSBNF-QLBJFCOMSA-N -1 0 547.402 4.665 50 0 KJAARM CCc1cc(Br)ccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)c=2c1=O ZINC000103152302 555318375 /nfs/dbraw/zinc/31/83/75/555318375.db2.gz CEBOYJYQBRCLBF-IEUSDUHPSA-N -1 0 585.462 4.683 50 0 KJAARM CCc1cc(Br)ccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)c=2c1=O ZINC000103152306 555318559 /nfs/dbraw/zinc/31/85/59/555318559.db2.gz CEBOYJYQBRCLBF-ZRJLEYOISA-N -1 0 585.462 4.683 50 0 KJAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccc(Br)cc5)C[C@@H]4c4ccccc4)c=3c2=O)cc1 ZINC000103152324 555318629 /nfs/dbraw/zinc/31/86/29/555318629.db2.gz ZVDPUOPDUMAJCJ-IEUSDUHPSA-N -1 0 585.462 4.683 50 0 KJAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccc(Br)cc5)C[C@@H]4c4ccccc4)c=3c2=O)cc1 ZINC000103152328 555318644 /nfs/dbraw/zinc/31/86/44/555318644.db2.gz ZVDPUOPDUMAJCJ-ZRJLEYOISA-N -1 0 585.462 4.683 50 0 KJAARM Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)c=2c1=O ZINC000103152378 555318650 /nfs/dbraw/zinc/31/86/50/555318650.db2.gz MKGINFLQCADYOG-DFZDUAMZSA-N -1 0 585.462 4.737 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000103160515 555320741 /nfs/dbraw/zinc/32/07/41/555320741.db2.gz YYGYPPYTNUGLGR-ASVWTAOFSA-N -1 0 572.625 4.828 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000103160517 555320727 /nfs/dbraw/zinc/32/07/27/555320727.db2.gz YYGYPPYTNUGLGR-NBZVVWIMSA-N -1 0 572.625 4.828 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000103160551 555320713 /nfs/dbraw/zinc/32/07/13/555320713.db2.gz XACVTFMMJJSWFJ-MYKRZTLLSA-N -1 0 571.037 4.637 50 0 KJAARM COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000103160552 555320724 /nfs/dbraw/zinc/32/07/24/555320724.db2.gz XACVTFMMJJSWFJ-PKXQUSJVSA-N -1 0 571.037 4.637 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4c(C)cccc4C)c(=O)c2=3)cc1 ZINC000103160555 555320722 /nfs/dbraw/zinc/32/07/22/555320722.db2.gz QVDUJTSXJRFCSX-DNCXPJJSSA-N -1 0 564.646 4.600 50 0 KJAARM COc1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)ccc1OCc1ccccc1 ZINC000103170944 555325046 /nfs/dbraw/zinc/32/50/46/555325046.db2.gz FPMOGYUMRXEUTB-JTAQYXEDSA-N -1 0 522.570 4.605 50 0 KJAARM COc1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)ccc1OCc1ccccc1 ZINC000103170948 555325019 /nfs/dbraw/zinc/32/50/19/555325019.db2.gz FPMOGYUMRXEUTB-SXWKCWPCSA-N -1 0 522.570 4.605 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1 ZINC000103237469 555342542 /nfs/dbraw/zinc/34/25/42/555342542.db2.gz HVRROXJCRRVZQL-UHFFFAOYSA-N -1 0 558.657 4.743 50 0 KJAARM COc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)Cn2[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c2=4)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000103256302 555345714 /nfs/dbraw/zinc/34/57/14/555345714.db2.gz RGNHPDLKVCRLRF-HDZALTCPSA-N -1 0 622.657 4.959 50 0 KJAARM COc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)Cn2[nH][n-]c4c(=O)n(-c5ccccc5)c(=O)c2=4)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000103256311 555345771 /nfs/dbraw/zinc/34/57/71/555345771.db2.gz XYCYZVLQYDBKSS-MRVFVZGZSA-N -1 0 604.667 4.820 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Br)c4)c(=O)c2=3)cc1 ZINC000103256400 555345720 /nfs/dbraw/zinc/34/57/20/555345720.db2.gz NVFYLAFUQXQLPM-MYKRZTLLSA-N -1 0 615.488 4.746 50 0 KJAARM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Br)c4)c(=O)c2=3)cc1 ZINC000103256407 555345750 /nfs/dbraw/zinc/34/57/50/555345750.db2.gz LPNBEHPHBADNRB-RNXOBYDBSA-N -1 0 621.879 4.782 50 0 KJAARM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Br)c4)c(=O)c2=3)cc1 ZINC000103256410 555345664 /nfs/dbraw/zinc/34/56/64/555345664.db2.gz LPNBEHPHBADNRB-AFESJLNVSA-N -1 0 621.879 4.782 50 0 KJAARM COc1ccc([C@@H]2CC(c3cccc4ccccc43)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1 ZINC000103256747 555345757 /nfs/dbraw/zinc/34/57/57/555345757.db2.gz NRKYFGFNINKMPH-BKHJTQGXSA-N -1 0 576.588 4.659 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)C2CCCC2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000103265538 555346953 /nfs/dbraw/zinc/34/69/53/555346953.db2.gz CRUIOIBWKGGSBE-UHFFFAOYSA-N -1 0 540.642 4.797 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000103265550 555346945 /nfs/dbraw/zinc/34/69/45/555346945.db2.gz IPFSIUWCUBOYIC-UHFFFAOYSA-N -1 0 554.650 4.982 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(F)cc2)c1Oc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)NC(C)C ZINC000103372670 555367700 /nfs/dbraw/zinc/36/77/00/555367700.db2.gz AOVKFMPOPYYADL-UHFFFAOYSA-N -1 0 546.621 4.872 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(F)cc2)c1Oc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)NC(C)(C)C ZINC000103372829 555367634 /nfs/dbraw/zinc/36/76/34/555367634.db2.gz QDPLRSWLJIKJGP-UHFFFAOYSA-N -1 0 544.605 4.626 50 0 KJAARM COc1ccccc1C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(C)cc2)c(S(=O)(=O)NC2CC2)c1 ZINC000103373879 555368716 /nfs/dbraw/zinc/36/87/16/555368716.db2.gz CSNSNHMZVREUNB-UHFFFAOYSA-N -1 0 576.631 4.681 50 0 KJAARM CCN1CCN(S(=O)(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)CC1 ZINC000103374224 555368956 /nfs/dbraw/zinc/36/89/56/555368956.db2.gz QRVSYTVGPKXCDI-UHFFFAOYSA-N -1 0 601.701 4.511 50 0 KJAARM CCN1CCN(S(=O)(=O)c2cc(NC(=O)c3ccccc3F)ccc2Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)CC1 ZINC000103374254 555369021 /nfs/dbraw/zinc/36/90/21/555369021.db2.gz SZZUOCXOTLNJDC-UHFFFAOYSA-N -1 0 625.654 4.528 50 0 KJAARM CCN1CCN(S(=O)(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)CC1 ZINC000103374280 555368977 /nfs/dbraw/zinc/36/89/77/555368977.db2.gz OQQNLYZVJDVNFX-UHFFFAOYSA-N -1 0 625.654 4.528 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(F)cc2)c1Oc1ccc(NC(=O)c2ccc(F)c(C)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000103378777 555370830 /nfs/dbraw/zinc/37/08/30/555370830.db2.gz LIZOVVYHCFBPBA-UHFFFAOYSA-N -1 0 612.611 4.531 50 0 KJAARM COc1nc(-c2ccc(C)cc2)n(-c2ccc([N-]S(=O)(=O)c3cc(Br)ccc3OC)cc2)n1 ZINC000103390795 555375964 /nfs/dbraw/zinc/37/59/64/555375964.db2.gz JCIGFUZPHFNKQQ-UHFFFAOYSA-N -1 0 529.416 4.823 50 0 KJAARM COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000103393306 555377191 /nfs/dbraw/zinc/37/71/91/555377191.db2.gz HZZPLDKPPHCOFP-UHFFFAOYSA-N -1 0 622.656 4.738 50 0 KJAARM COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)c3ccccc3C)cc2S(=O)(=O)NC(C)C)cc1 ZINC000103393318 555377150 /nfs/dbraw/zinc/37/71/50/555377150.db2.gz DPQCIMVFFPAUMR-UHFFFAOYSA-N -1 0 578.647 4.927 50 0 KJAARM COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)c3ccccc3F)cc2S(=O)(=O)NC2CC2)cc1 ZINC000103393343 555377184 /nfs/dbraw/zinc/37/71/84/555377184.db2.gz IXAXBPSVKWBLTJ-UHFFFAOYSA-N -1 0 580.594 4.512 50 0 KJAARM CCc1ccccc1-n1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000103393346 555377186 /nfs/dbraw/zinc/37/71/86/555377186.db2.gz XHRYCDSMWNVHMM-UHFFFAOYSA-N -1 0 584.695 4.629 50 0 KJAARM COCCNS(=O)(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(C)c1C ZINC000103393352 555377189 /nfs/dbraw/zinc/37/71/89/555377189.db2.gz LCTFNFKPPRXLNC-UHFFFAOYSA-N -1 0 596.637 4.604 50 0 KJAARM CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(C)c2C)c(S(=O)(=O)NCCOC)c1 ZINC000103393370 555377183 /nfs/dbraw/zinc/37/71/83/555377183.db2.gz PDJOHHMFNHNNMH-UHFFFAOYSA-N -1 0 572.684 4.587 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(C)c2C)c1Oc1ccc(NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000103393381 555377193 /nfs/dbraw/zinc/37/71/93/555377193.db2.gz JDUYNDZSQGIGCH-UHFFFAOYSA-N -1 0 608.648 4.700 50 0 KJAARM COc1ccc(C(=O)Nc2ccc(Oc3c(C)c(C(=O)[O-])nn3-c3cccc(C)c3C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000103393391 555377148 /nfs/dbraw/zinc/37/71/48/555377148.db2.gz QQLCQJUOTBRVGL-UHFFFAOYSA-N -1 0 620.684 4.570 50 0 KJAARM COc1ccccc1C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)(C)C)c(S(=O)(=O)NCC(C)C)c1 ZINC000103393405 555377194 /nfs/dbraw/zinc/37/71/94/555377194.db2.gz NPXJJNVLKRDQOB-UHFFFAOYSA-N -1 0 558.657 4.632 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccco2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1 ZINC000103393423 555377447 /nfs/dbraw/zinc/37/74/47/555377447.db2.gz XWBKHHSTERAPLS-MRXNPFEDSA-N -1 0 568.608 4.602 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccco2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1 ZINC000103393425 555377493 /nfs/dbraw/zinc/37/74/93/555377493.db2.gz XWBKHHSTERAPLS-INIZCTEOSA-N -1 0 568.608 4.602 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)CC(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1 ZINC000103393474 555377483 /nfs/dbraw/zinc/37/74/83/555377483.db2.gz YBPADUUFMMGQEA-QGZVFWFLSA-N -1 0 558.657 4.741 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)CC(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1 ZINC000103393476 555377474 /nfs/dbraw/zinc/37/74/74/555377474.db2.gz YBPADUUFMMGQEA-KRWDZBQOSA-N -1 0 558.657 4.741 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)NC(C)(C)C ZINC000103393718 555377787 /nfs/dbraw/zinc/37/77/87/555377787.db2.gz KMWUMBGGFKYOHQ-UHFFFAOYSA-N -1 0 556.572 4.732 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)NCC(C)C ZINC000103393737 555377878 /nfs/dbraw/zinc/37/78/78/555377878.db2.gz XHFMUNXKZGAOED-UHFFFAOYSA-N -1 0 546.621 4.729 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)NC(C)(C)C ZINC000103393744 555377835 /nfs/dbraw/zinc/37/78/35/555377835.db2.gz XENJKZQZRSYNMM-UHFFFAOYSA-N -1 0 546.621 4.872 50 0 KJAARM CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)c(S(=O)(=O)NCC(C)C)c1 ZINC000103393757 555377903 /nfs/dbraw/zinc/37/79/03/555377903.db2.gz XDLRZILZHNBQDN-MRXNPFEDSA-N -1 0 546.621 4.729 50 0 KJAARM CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)c(S(=O)(=O)NCC(C)C)c1 ZINC000103393759 555377921 /nfs/dbraw/zinc/37/79/21/555377921.db2.gz XDLRZILZHNBQDN-INIZCTEOSA-N -1 0 546.621 4.729 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)c2ccccc2C)cc1S(=O)(=O)NC1CC1 ZINC000103393790 555377782 /nfs/dbraw/zinc/37/77/82/555377782.db2.gz KJSGMCIRFDQOHM-UHFFFAOYSA-N -1 0 564.595 4.812 50 0 KJAARM CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000103393794 555377858 /nfs/dbraw/zinc/37/78/58/555377858.db2.gz RAMJUIRSGMTINU-OAHLLOKOSA-N -1 0 546.621 4.872 50 0 KJAARM CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000103393797 555377829 /nfs/dbraw/zinc/37/78/29/555377829.db2.gz RAMJUIRSGMTINU-HNNXBMFYSA-N -1 0 546.621 4.872 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000103393826 555377790 /nfs/dbraw/zinc/37/77/90/555377790.db2.gz JMJXNPNVCKRVHZ-UHFFFAOYSA-N -1 0 615.039 4.737 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)NCc1ccco1 ZINC000103393837 555378091 /nfs/dbraw/zinc/37/80/91/555378091.db2.gz JWCXZGSXSHGNLJ-UHFFFAOYSA-N -1 0 580.550 4.727 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)c2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000103393844 555378106 /nfs/dbraw/zinc/37/81/06/555378106.db2.gz WZMIRFIDBIAXRK-UHFFFAOYSA-N -1 0 615.039 4.737 50 0 KJAARM CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)c(S(=O)(=O)NC2CC2)c1 ZINC000103393857 555378099 /nfs/dbraw/zinc/37/80/99/555378099.db2.gz BRNXSYILONRBPA-UHFFFAOYSA-N -1 0 544.605 4.626 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)NCC(C)C ZINC000103393866 555378165 /nfs/dbraw/zinc/37/81/65/555378165.db2.gz MXBMMIFALURNNP-UHFFFAOYSA-N -1 0 556.572 4.590 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(C)cc2)c1Oc1ccc(NC(=O)c2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000103393869 555378086 /nfs/dbraw/zinc/37/80/86/555378086.db2.gz XVPMEOTUCNTKJB-UHFFFAOYSA-N -1 0 611.076 4.906 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cc(C)ccc2C)c1Oc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)NC(C)(C)C ZINC000103394976 555379863 /nfs/dbraw/zinc/37/98/63/555379863.db2.gz NIEQGPCKUAPUOY-UHFFFAOYSA-N -1 0 540.642 4.713 50 0 KJAARM COc1cccc(C(=O)Nc2ccc(Oc3c(C)c(C(=O)[O-])nn3C(C)(C)C)c(S(=O)(=O)NC(C)(C)C)c2)c1 ZINC000103395007 555379960 /nfs/dbraw/zinc/37/99/60/555379960.db2.gz ATFRGGDBLNXSEG-UHFFFAOYSA-N -1 0 558.657 4.775 50 0 KJAARM COc1ccccc1C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)(C)C)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000103395027 555379879 /nfs/dbraw/zinc/37/98/79/555379879.db2.gz YYMLLGDVSPQMBE-UHFFFAOYSA-N -1 0 558.657 4.775 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)(C)C ZINC000103395044 555379837 /nfs/dbraw/zinc/37/98/37/555379837.db2.gz TYNIJSQQLCJDJV-CQSZACIVSA-N -1 0 534.660 4.828 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)(C)C ZINC000103395046 555379909 /nfs/dbraw/zinc/37/99/09/555379909.db2.gz TYNIJSQQLCJDJV-AWEZNQCLSA-N -1 0 534.660 4.828 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)NCC(C)C ZINC000103396560 555382090 /nfs/dbraw/zinc/38/20/90/555382090.db2.gz VRBUHINRVDPGJH-UHFFFAOYSA-N -1 0 542.658 4.980 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)CC(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(F)c1 ZINC000103396771 555382511 /nfs/dbraw/zinc/38/25/11/555382511.db2.gz MDKPMLBHPZIOEL-MRXNPFEDSA-N -1 0 546.621 4.872 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)CC(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(F)c1 ZINC000103396773 555382570 /nfs/dbraw/zinc/38/25/70/555382570.db2.gz MDKPMLBHPZIOEL-INIZCTEOSA-N -1 0 546.621 4.872 50 0 KJAARM COc1cccc(C(=O)Nc2ccc(Oc3c(C)c(C(=O)[O-])nn3-c3ccccc3)c(S(=O)(=O)NC(C)C)c2)c1 ZINC000103396777 555382559 /nfs/dbraw/zinc/38/25/59/555382559.db2.gz DWHXYKDMPRMQJS-UHFFFAOYSA-N -1 0 564.620 4.619 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(C)c2C)c1Oc1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000103396804 555382505 /nfs/dbraw/zinc/38/25/05/555382505.db2.gz SQFNAAYGQPMOIK-UHFFFAOYSA-N -1 0 608.648 4.700 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(C)c2C)c1Oc1ccc(NC(=O)c2ccccc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000103396853 555382717 /nfs/dbraw/zinc/38/27/17/555382717.db2.gz BRJKPAFDGKLMPE-UHFFFAOYSA-N -1 0 604.685 4.870 50 0 KJAARM COc1cccc(C(=O)Nc2ccc(Oc3c(C)c(C(=O)[O-])nn3-c3cccc(C)c3C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000103396878 555382630 /nfs/dbraw/zinc/38/26/30/555382630.db2.gz IADIIWLGRKTNLX-UHFFFAOYSA-N -1 0 620.684 4.570 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2Cl)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C ZINC000103396905 555382649 /nfs/dbraw/zinc/38/26/49/555382649.db2.gz IKVGDLSARVEFKL-UHFFFAOYSA-N -1 0 535.022 4.857 50 0 KJAARM COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)c3ccc(F)cc3)cc2S(=O)(=O)NC(C)C)cc1 ZINC000103397062 555382729 /nfs/dbraw/zinc/38/27/29/555382729.db2.gz CUTOGGHZUNQKJK-UHFFFAOYSA-N -1 0 582.610 4.758 50 0 KJAARM COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)c3cccc(OC)c3)cc2S(=O)(=O)NC(C)C)cc1 ZINC000103397117 555383132 /nfs/dbraw/zinc/38/31/32/555383132.db2.gz HTTGZOMDBQPSCQ-UHFFFAOYSA-N -1 0 594.646 4.627 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(C)c2C)c1Oc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)NC(C)(C)C ZINC000103399858 555385839 /nfs/dbraw/zinc/38/58/39/555385839.db2.gz CBRGIQSVOCVMMD-UHFFFAOYSA-N -1 0 540.642 4.713 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1 ZINC000103401785 555387534 /nfs/dbraw/zinc/38/75/34/555387534.db2.gz QURYDVUPTNWAES-QGZVFWFLSA-N -1 0 622.656 4.738 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1 ZINC000103401788 555387580 /nfs/dbraw/zinc/38/75/80/555387580.db2.gz QURYDVUPTNWAES-KRWDZBQOSA-N -1 0 622.656 4.738 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccccc2Cl)c1Oc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)NCC(C)C ZINC000103401850 555387562 /nfs/dbraw/zinc/38/75/62/555387562.db2.gz DVQYVJAZTHRJNF-UHFFFAOYSA-N -1 0 547.033 4.607 50 0 KJAARM CCc1ccccc1-n1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000103401896 555387566 /nfs/dbraw/zinc/38/75/66/555387566.db2.gz OAQZHOWZEFUXNY-UHFFFAOYSA-N -1 0 596.687 4.568 50 0 KJAARM CCN1CCN(S(=O)(=O)c2cc(NC(=O)c3ccc(F)c(C)c3)ccc2Oc2c(C)c(C(=O)[O-])nn2-c2ccccc2)CC1 ZINC000103402680 555388661 /nfs/dbraw/zinc/38/86/61/555388661.db2.gz ROVQFZAMKTXKOG-UHFFFAOYSA-N -1 0 621.691 4.697 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2cccc(OC)c2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C ZINC000103402790 555389047 /nfs/dbraw/zinc/38/90/47/555389047.db2.gz CKRNBOKAXGEZOV-MRXNPFEDSA-N -1 0 544.630 4.601 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2cccc(OC)c2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C ZINC000103402793 555389132 /nfs/dbraw/zinc/38/91/32/555389132.db2.gz CKRNBOKAXGEZOV-INIZCTEOSA-N -1 0 544.630 4.601 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2OC)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C ZINC000103402811 555389043 /nfs/dbraw/zinc/38/90/43/555389043.db2.gz RFYKEGYOVDACBE-MRXNPFEDSA-N -1 0 544.630 4.601 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2OC)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C ZINC000103402813 555389079 /nfs/dbraw/zinc/38/90/79/555389079.db2.gz RFYKEGYOVDACBE-INIZCTEOSA-N -1 0 544.630 4.601 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)NCc1ccco1 ZINC000103404893 555391246 /nfs/dbraw/zinc/39/12/46/555391246.db2.gz UBHFGCDOFVTOTF-UHFFFAOYSA-N -1 0 570.599 4.866 50 0 KJAARM COCCNS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(C)c1C ZINC000103408059 555393683 /nfs/dbraw/zinc/39/36/83/555393683.db2.gz XPEHZRSCQUCIPQ-UHFFFAOYSA-N -1 0 584.676 4.527 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(F)c1 ZINC000103418253 555398099 /nfs/dbraw/zinc/39/80/99/555398099.db2.gz DJFFHSIXGVYBCR-UHFFFAOYSA-N -1 0 546.621 4.873 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)C2CCCC2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(F)c1 ZINC000103418265 555398084 /nfs/dbraw/zinc/39/80/84/555398084.db2.gz OCZNOBOAMCYIJO-UHFFFAOYSA-N -1 0 544.605 4.627 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2OC)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(F)c1 ZINC000103418300 555398138 /nfs/dbraw/zinc/39/81/38/555398138.db2.gz WALVIXRYHSYNFL-UHFFFAOYSA-N -1 0 582.610 4.760 50 0 KJAARM CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)c(S(=O)(=O)NCc2ccco2)c1 ZINC000103418315 555398142 /nfs/dbraw/zinc/39/81/42/555398142.db2.gz CYLIITHCFGKCJI-MRXNPFEDSA-N -1 0 570.599 4.866 50 0 KJAARM CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)c(S(=O)(=O)NCc2ccco2)c1 ZINC000103418318 555398060 /nfs/dbraw/zinc/39/80/60/555398060.db2.gz CYLIITHCFGKCJI-INIZCTEOSA-N -1 0 570.599 4.866 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(F)c1 ZINC000103418349 555398387 /nfs/dbraw/zinc/39/83/87/555398387.db2.gz LHSFZCNULNJCLS-UHFFFAOYSA-N -1 0 558.613 4.812 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)NC1CC1 ZINC000103418351 555398382 /nfs/dbraw/zinc/39/83/82/555398382.db2.gz PHCQFYGIMOPOJZ-UHFFFAOYSA-N -1 0 556.597 4.565 50 0 KJAARM CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(OC)cc2)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000103420351 555400462 /nfs/dbraw/zinc/40/04/62/555400462.db2.gz CPWRBAWQWCLWTP-MRXNPFEDSA-N -1 0 558.657 4.741 50 0 KJAARM CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(OC)cc2)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000103420354 555400495 /nfs/dbraw/zinc/40/04/95/555400495.db2.gz CPWRBAWQWCLWTP-INIZCTEOSA-N -1 0 558.657 4.741 50 0 KJAARM COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)c3ccco3)cc2S(=O)(=O)NCc2ccco2)cc1 ZINC000103420363 555400443 /nfs/dbraw/zinc/40/04/43/555400443.db2.gz WAZNMMWNZBIWFE-UHFFFAOYSA-N -1 0 592.586 4.597 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1 ZINC000103420370 555400463 /nfs/dbraw/zinc/40/04/63/555400463.db2.gz HWBBTSHZYRFJRG-UHFFFAOYSA-N -1 0 570.649 4.682 50 0 KJAARM COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)C3CCCC3)cc2S(=O)(=O)NCc2ccco2)cc1 ZINC000103420378 555400476 /nfs/dbraw/zinc/40/04/76/555400476.db2.gz WZBIQIWIZIWFRO-UHFFFAOYSA-N -1 0 594.646 4.880 50 0 KJAARM COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)c3ccco3)cc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000103420392 555400388 /nfs/dbraw/zinc/40/03/88/555400388.db2.gz DUKAZXVNHAYURP-UHFFFAOYSA-N -1 0 568.608 4.602 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2cccc(C)c2C)c1Oc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000103420413 555400491 /nfs/dbraw/zinc/40/04/91/555400491.db2.gz SPZXHNITUOOUAN-UHFFFAOYSA-N -1 0 596.687 4.623 50 0 KJAARM COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)CC(C)C)cc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000103420428 555400805 /nfs/dbraw/zinc/40/08/05/555400805.db2.gz HPQSPVJCFOFEBL-UHFFFAOYSA-N -1 0 558.657 4.741 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)c2cccc(OC)c2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1 ZINC000103420441 555400884 /nfs/dbraw/zinc/40/08/84/555400884.db2.gz BCTCICJRVPUOEX-UHFFFAOYSA-N -1 0 594.646 4.629 50 0 KJAARM CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(F)cc2)c(S(=O)(=O)NC2CC2)c1 ZINC000103420447 555400832 /nfs/dbraw/zinc/40/08/32/555400832.db2.gz AVUKDODSEJPKDJ-UHFFFAOYSA-N -1 0 544.605 4.626 50 0 KJAARM CCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2OC)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1 ZINC000103420455 555400881 /nfs/dbraw/zinc/40/08/81/555400881.db2.gz HZNAQKBNZOZMOH-UHFFFAOYSA-N -1 0 594.646 4.629 50 0 KJAARM COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)C3CCCC3)cc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000103420457 555400882 /nfs/dbraw/zinc/40/08/82/555400882.db2.gz NSRLEVHCJLWHPQ-UHFFFAOYSA-N -1 0 570.668 4.885 50 0 KJAARM Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)c2ccccc2C)cc1S(=O)(=O)NCCc1ccccn1 ZINC000103420461 555400840 /nfs/dbraw/zinc/40/08/40/555400840.db2.gz VAVGHBXEOJSYKB-UHFFFAOYSA-N -1 0 591.690 4.914 50 0 KJAARM COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)C3CCCC3)cc2S(=O)(=O)NCC(C)C)cc1 ZINC000103420472 555400821 /nfs/dbraw/zinc/40/08/21/555400821.db2.gz YJVMGRDCIQIKJP-UHFFFAOYSA-N -1 0 570.668 4.743 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(F)cc2)c1Oc1ccc(NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)NC1CC1 ZINC000103420474 555400880 /nfs/dbraw/zinc/40/08/80/555400880.db2.gz GGJZKLPXUAIBAQ-UHFFFAOYSA-N -1 0 568.558 4.642 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(F)cc2)c1Oc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)NC1CC1 ZINC000103420963 555401650 /nfs/dbraw/zinc/40/16/50/555401650.db2.gz ALFKQNJCYSAQJL-UHFFFAOYSA-N -1 0 556.597 4.565 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(F)cc2)c1Oc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)NC1CC1 ZINC000103421025 555401683 /nfs/dbraw/zinc/40/16/83/555401683.db2.gz VSHXQMFRMWBFOU-UHFFFAOYSA-N -1 0 544.605 4.626 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(C)cc2)c1Oc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)NCCc1ccccn1 ZINC000103421601 555402524 /nfs/dbraw/zinc/40/25/24/555402524.db2.gz HJZVDXNEHANLDC-UHFFFAOYSA-N -1 0 589.674 4.634 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(C)cc2)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)NCCc1ccccn1 ZINC000103421617 555402460 /nfs/dbraw/zinc/40/24/60/555402460.db2.gz DLBNDUABSQDBJD-UHFFFAOYSA-N -1 0 591.690 4.880 50 0 KJAARM COCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2Cl)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000103425588 555406302 /nfs/dbraw/zinc/40/63/02/555406302.db2.gz QYWSLZJDAGAVRG-UHFFFAOYSA-N -1 0 599.065 4.810 50 0 KJAARM CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)(C)C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000103425634 555406225 /nfs/dbraw/zinc/40/62/25/555406225.db2.gz HSBGXRSQXGDKJZ-MRXNPFEDSA-N -1 0 586.667 4.629 50 0 KJAARM CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)(C)C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000103425637 555406198 /nfs/dbraw/zinc/40/61/98/555406198.db2.gz HSBGXRSQXGDKJZ-INIZCTEOSA-N -1 0 586.667 4.629 50 0 KJAARM COCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2Cl)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1 ZINC000103425640 555406630 /nfs/dbraw/zinc/40/66/30/555406630.db2.gz UUPPUQGJKSGFSJ-UHFFFAOYSA-N -1 0 615.064 4.510 50 0 KJAARM COc1cccc(C(=O)Nc2ccc(Oc3c(C)c(C(=O)[O-])nn3-c3ccc(C)cc3)c(S(=O)(=O)NC(C)C)c2)c1 ZINC000103425938 555406661 /nfs/dbraw/zinc/40/66/61/555406661.db2.gz ZXLBGQYCQYAJKZ-UHFFFAOYSA-N -1 0 578.647 4.927 50 0 KJAARM COc1cccc(COc2ccc(-c3nc(=O)c(CCC(=O)NCc4cccc(C(F)(F)F)c4)n[n-]3)cc2)c1 ZINC000103426283 555407623 /nfs/dbraw/zinc/40/76/23/555407623.db2.gz ZMIMQINSUXMUEJ-UHFFFAOYSA-N -1 0 538.526 4.687 50 0 KJAARM Cc1c(C(=O)[O-])nn(-c2ccc(Cl)cc2)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NCc1ccco1 ZINC000103426464 555407632 /nfs/dbraw/zinc/40/76/32/555407632.db2.gz BHZSXXQGMGJOSL-UHFFFAOYSA-N -1 0 573.027 4.991 50 0 KJAARM COCCCNS(=O)(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(F)c1 ZINC000103426510 555407682 /nfs/dbraw/zinc/40/76/82/555407682.db2.gz DLMNCNJIRBJHLW-UHFFFAOYSA-N -1 0 600.600 4.517 50 0 KJAARM CCN1CCN(S(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2Oc2c(C)c(C(=O)[O-])nn2-c2ccc(C)cc2C)CC1 ZINC000103426546 555408168 /nfs/dbraw/zinc/40/81/68/555408168.db2.gz QQSDXWFISKPMEF-UHFFFAOYSA-N -1 0 623.757 4.928 50 0 KJAARM CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(Cl)cc1 ZINC000103426555 555408030 /nfs/dbraw/zinc/40/80/30/555408030.db2.gz WVEVBWHTIYQDQQ-CQSZACIVSA-N -1 0 547.033 4.750 50 0 KJAARM CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(Cl)cc1 ZINC000103426557 555408132 /nfs/dbraw/zinc/40/81/32/555408132.db2.gz WVEVBWHTIYQDQQ-AWEZNQCLSA-N -1 0 547.033 4.750 50 0 KJAARM CCN1CCN(S(=O)(=O)c2cc(NC(=O)C3CCCC3)ccc2Oc2c(C)c(C(=O)[O-])nn2-c2ccc(C)cc2C)CC1 ZINC000103426566 555408059 /nfs/dbraw/zinc/40/80/59/555408059.db2.gz GYXJCDAPFDTOEN-UHFFFAOYSA-N -1 0 609.749 4.743 50 0 KJAARM COCCCNS(=O)(=O)c1cc(NC(=O)c2ccc(OC)cc2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1C ZINC000103429667 555411980 /nfs/dbraw/zinc/41/19/80/555411980.db2.gz GEOQCSMVKBDHQE-UHFFFAOYSA-N -1 0 622.700 4.864 50 0 KJAARM COCCCNS(=O)(=O)c1cc(NC(=O)CC(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1C ZINC000103429687 555412039 /nfs/dbraw/zinc/41/20/39/555412039.db2.gz FQCJPKUNJDHIFI-UHFFFAOYSA-N -1 0 572.684 4.587 50 0 KJAARM CCN1CCN(S(=O)(=O)c2cc(NC(=O)c3ccccc3F)ccc2Oc2c(C)c(C(=O)[O-])nn2-c2ccc(C)cc2)CC1 ZINC000103429690 555412045 /nfs/dbraw/zinc/41/20/45/555412045.db2.gz IKUFENPVMWKJOQ-UHFFFAOYSA-N -1 0 621.691 4.697 50 0 KJAARM COCCCNS(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1C ZINC000103429698 555411955 /nfs/dbraw/zinc/41/19/55/555411955.db2.gz LFUKQVSNMARAFM-UHFFFAOYSA-N -1 0 586.711 4.978 50 0 KJAARM CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(C)cc2C)c(S(=O)(=O)NCCCOC)c1 ZINC000103429707 555412056 /nfs/dbraw/zinc/41/20/56/555412056.db2.gz ITANQBMOQDHBDR-GOSISDBHSA-N -1 0 572.684 4.587 50 0 KJAARM CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(C)cc2C)c(S(=O)(=O)NCCCOC)c1 ZINC000103429709 555411965 /nfs/dbraw/zinc/41/19/65/555411965.db2.gz ITANQBMOQDHBDR-SFHVURJKSA-N -1 0 572.684 4.587 50 0 KJAARM CCN1CCN(S(=O)(=O)c2cc(NC(=O)c3ccccc3C)ccc2Oc2c(C)c(C(=O)[O-])nn2-c2ccc(C)cc2)CC1 ZINC000103429716 555412225 /nfs/dbraw/zinc/41/22/25/555412225.db2.gz NKRFLVWWDNGJTI-UHFFFAOYSA-N -1 0 617.728 4.867 50 0 KJAARM CCN1CCN(S(=O)(=O)c2cc(NC(=O)c3ccccc3OC)ccc2Oc2c(C)c(C(=O)[O-])nn2-c2ccc(C)cc2)CC1 ZINC000103429738 555412284 /nfs/dbraw/zinc/41/22/84/555412284.db2.gz 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/nfs/dbraw/zinc/14/72/73/1067147273.db2.gz RKEJCZOKBWSADP-UHFFFAOYSA-N -1 0 505.350 4.613 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1cccc(Br)c1 ZINC000254512631 1067147865 /nfs/dbraw/zinc/14/78/65/1067147865.db2.gz CFASWLPJBYEDFD-UHFFFAOYSA-N -1 0 505.350 4.613 50 0 KJAARM CN=c1scc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1cc(Br)cc(Br)c1[O-] ZINC000254515077 1067147988 /nfs/dbraw/zinc/14/79/88/1067147988.db2.gz XVLYNKASPHQQDG-UHFFFAOYSA-N -1 0 512.183 4.768 50 0 KJAARM [O-]c1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000254560408 1067148737 /nfs/dbraw/zinc/14/87/37/1067148737.db2.gz SKAKKEFESMTVES-UHFFFAOYSA-N -1 0 582.592 4.684 50 0 KJAARM Cc1ccc(NS(=O)(=O)c2ccc(NN=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])c([N+](=O)[O-])c2)c(C)c1 ZINC000254578194 1067149423 /nfs/dbraw/zinc/14/94/23/1067149423.db2.gz QMHWCWBUUQVGPH-UHFFFAOYSA-N -1 0 519.923 4.726 50 0 KJAARM CCOC(=O)c1ccc(N=C2S[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000254582448 1067149354 /nfs/dbraw/zinc/14/93/54/1067149354.db2.gz NBGXVNJSTQNBBC-DEOSSOPVSA-N -1 0 561.616 4.731 50 0 KJAARM CCOC(=O)c1ccc(N=C2S[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000254582449 1066475806 /nfs/dbraw/zinc/47/58/06/1066475806.db2.gz NBGXVNJSTQNBBC-XMMPIXPASA-N -1 0 561.616 4.731 50 0 KJAARM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC(C)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000254589252 1067149366 /nfs/dbraw/zinc/14/93/66/1067149366.db2.gz KPZAAOCSVFXFHF-UHFFFAOYSA-N -1 0 519.923 4.802 50 0 KJAARM CCOC(=O)c1ccc(N=c2sc(-c3ccccc3)c([O-])n2S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000254594999 1067149139 /nfs/dbraw/zinc/14/91/39/1067149139.db2.gz YJSCIVYQJQOWDK-HSZRJFAPSA-N -1 0 524.620 4.955 50 0 KJAARM CCOC(=O)c1ccc(N=c2sc(-c3ccccc3)c([O-])n2S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000254595002 1067149329 /nfs/dbraw/zinc/14/93/29/1067149329.db2.gz YJSCIVYQJQOWDK-QHCPKHFHSA-N -1 0 524.620 4.955 50 0 KJAARM O=C(C(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1)c1ccccn1)c1ccccn1 ZINC000254609214 1067149967 /nfs/dbraw/zinc/14/99/67/1067149967.db2.gz ZGXASIRCGNASCU-UHFFFAOYSA-N -1 0 536.957 4.538 50 0 KJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NN=C(C(=O)OC)c3nc4ccccc4[nH]3)ccc2OC)cc1Br ZINC000254628240 1066475698 /nfs/dbraw/zinc/47/56/98/1066475698.db2.gz YURHZKKKRPNBFN-UHFFFAOYSA-N -1 0 602.467 4.523 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc(Br)cc1 ZINC000254630061 1067150611 /nfs/dbraw/zinc/15/06/11/1067150611.db2.gz OVNGQWSKBPQJEE-UHFFFAOYSA-N -1 0 505.350 4.613 50 0 KJAARM CCOc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[N+](=O)[O-])cc1OC ZINC000254632239 1067150627 /nfs/dbraw/zinc/15/06/27/1067150627.db2.gz SQRQUIAZSYSKQY-UHFFFAOYSA-N -1 0 504.952 4.902 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccccc1Br ZINC000254707812 1067151298 /nfs/dbraw/zinc/15/12/98/1067151298.db2.gz KJFYSSAHWJVZRZ-UHFFFAOYSA-N -1 0 505.350 4.613 50 0 KJAARM COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc(Br)c1O ZINC000254733991 1067152480 /nfs/dbraw/zinc/15/24/80/1067152480.db2.gz KJOWDGSDGIMTGA-UHFFFAOYSA-N -1 0 555.794 4.972 50 0 KJAARM COc1cc(OC)c(CN=Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[N+](=O)[O-])c(OC)c1 ZINC000254738929 1067152645 /nfs/dbraw/zinc/15/26/45/1067152645.db2.gz OXCIVJGRJCIMHI-UHFFFAOYSA-N -1 0 520.951 4.521 50 0 KJAARM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccccc2Br)cc1 ZINC000254791055 1067153778 /nfs/dbraw/zinc/15/37/78/1067153778.db2.gz JBTDFIRTYXBQSM-UHFFFAOYSA-N -1 0 505.350 4.613 50 0 KJAARM O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000254795842 1067154337 /nfs/dbraw/zinc/15/43/37/1067154337.db2.gz ZQUIDCBPGCEJJE-UHFFFAOYSA-N -1 0 551.049 4.883 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NN=Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)c1 ZINC000254816266 1067154205 /nfs/dbraw/zinc/15/42/05/1067154205.db2.gz LLKMFSNBLOWHOD-UHFFFAOYSA-N -1 0 541.992 4.547 50 0 KJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000254825421 1067154440 /nfs/dbraw/zinc/15/44/40/1067154440.db2.gz GBQPMONYBOTAEA-UHFFFAOYSA-N -1 0 505.350 4.613 50 0 KJAARM COc1ccc(NN=C(C(C)=O)C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000254840899 1067155030 /nfs/dbraw/zinc/15/50/30/1067155030.db2.gz KCENLTNNGULHGL-UHFFFAOYSA-N -1 0 579.860 4.908 50 0 KJAARM O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000254871066 1067156413 /nfs/dbraw/zinc/15/64/13/1067156413.db2.gz NCIRVJCIYYCTTC-UHFFFAOYSA-N -1 0 526.314 4.762 50 0 KJAARM COc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2[N+](=O)[O-])c(OC)c1OC ZINC000254907465 1067156265 /nfs/dbraw/zinc/15/62/65/1067156265.db2.gz JEIFJHOORYIHAQ-UHFFFAOYSA-N -1 0 520.951 4.521 50 0 KJAARM COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C ZINC000257349933 572321670 /nfs/dbraw/zinc/32/16/70/572321670.db2.gz STCPMHAACLYIJG-ACPGXLGOSA-N -1 0 506.680 4.982 50 0 KJAARM COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@H]3C[C@H](O)[C@]21C ZINC000257349934 572321687 /nfs/dbraw/zinc/32/16/87/572321687.db2.gz STCPMHAACLYIJG-LKJNKKLNSA-N -1 0 506.680 4.982 50 0 KJAARM COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3C[C@H](O)[C@]21C ZINC000257349935 572321686 /nfs/dbraw/zinc/32/16/86/572321686.db2.gz STCPMHAACLYIJG-QKLDSWAOSA-N -1 0 506.680 4.982 50 0 KJAARM COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C ZINC000257349936 572321668 /nfs/dbraw/zinc/32/16/68/572321668.db2.gz STCPMHAACLYIJG-RIYQZULBSA-N -1 0 506.680 4.982 50 0 KJAARM CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)[C@H](CC[C@H]3[C@H](C)CC(=O)[O-])[C@@H]12 ZINC000257356481 572321981 /nfs/dbraw/zinc/32/19/81/572321981.db2.gz IHXQHJYTUOOAEI-MRVOHRGHSA-N -1 0 520.663 4.771 50 0 KJAARM 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DGAOYARMUULRJP-AFJIDDCJSA-N -1 0 514.534 4.572 50 0 KJAARM COC(=O)C[C@H](c1ccnc2ccccc21)c1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O ZINC000524730287 1066215210 /nfs/dbraw/zinc/21/52/10/1066215210.db2.gz DGAOYARMUULRJP-OLILMLBXSA-N -1 0 514.534 4.572 50 0 KJAARM COC(=O)C[C@@H](c1ccnc2ccccc21)c1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O ZINC000524730288 1066215468 /nfs/dbraw/zinc/21/54/68/1066215468.db2.gz DGAOYARMUULRJP-WRONEBCDSA-N -1 0 514.534 4.572 50 0 KJAARM COC(=O)C[C@H](c1ccc2ncccc2c1)c1c([O-])c([C@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O ZINC000524730465 1066213830 /nfs/dbraw/zinc/21/38/30/1066213830.db2.gz KIUHUSHUQOCQDQ-ACSYHNTCSA-N -1 0 514.534 4.572 50 0 KJAARM COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c([O-])c([C@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O ZINC000524730466 1066213928 /nfs/dbraw/zinc/21/39/28/1066213928.db2.gz KIUHUSHUQOCQDQ-AFJIDDCJSA-N -1 0 514.534 4.572 50 0 KJAARM COC(=O)C[C@H](c1ccc2ncccc2c1)c1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O ZINC000524730467 1066214104 /nfs/dbraw/zinc/21/41/04/1066214104.db2.gz KIUHUSHUQOCQDQ-OLILMLBXSA-N -1 0 514.534 4.572 50 0 KJAARM COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O ZINC000524730468 1066213907 /nfs/dbraw/zinc/21/39/07/1066213907.db2.gz KIUHUSHUQOCQDQ-WRONEBCDSA-N -1 0 514.534 4.572 50 0 KJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(OCc5nccn5C)c(OC)c3)CC(=O)O4)c2=O)cc1OC ZINC000524730654 1066214517 /nfs/dbraw/zinc/21/45/17/1066214517.db2.gz RLICPEOQCJBSLS-IBGZPJMESA-N -1 0 584.581 4.945 50 0 KJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(OCc5nccn5C)c(OC)c3)CC(=O)O4)c2=O)cc1OC ZINC000524730655 1066214685 /nfs/dbraw/zinc/21/46/85/1066214685.db2.gz RLICPEOQCJBSLS-LJQANCHMSA-N -1 0 584.581 4.945 50 0 KJAARM COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O ZINC000524730801 1066214659 /nfs/dbraw/zinc/21/46/59/1066214659.db2.gz XSWHFVJCMPNOSM-DWXRJYCRSA-N -1 0 547.482 4.923 50 0 KJAARM COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c([O-])c([C@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O ZINC000524730802 1066214781 /nfs/dbraw/zinc/21/47/81/1066214781.db2.gz XSWHFVJCMPNOSM-HFJWLAOPSA-N -1 0 547.482 4.923 50 0 KJAARM COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O ZINC000524730803 1066214635 /nfs/dbraw/zinc/21/46/35/1066214635.db2.gz XSWHFVJCMPNOSM-QYBDOPJKSA-N -1 0 547.482 4.923 50 0 KJAARM COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1c([O-])c([C@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O ZINC000524730804 1066214554 /nfs/dbraw/zinc/21/45/54/1066214554.db2.gz XSWHFVJCMPNOSM-WXTAPIANSA-N -1 0 547.482 4.923 50 0 KJAARM COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c([O-])c([C@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O ZINC000524731249 1066215986 /nfs/dbraw/zinc/21/59/86/1066215986.db2.gz PYYJLNIJJNWOLD-KCWXNJEJSA-N -1 0 557.559 4.606 50 0 KJAARM COC(=O)C[C@@H](c1cccc(Oc2ncccn2)c1)c1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O ZINC000524731250 1066216019 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