smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 940341313 KRFPAEDTAUKQMZ-BMWSJCARSA-N 411.455 0.673 70 20 HCID NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2ccccc2O1 771831006 GGPHXMHEGQMZFL-CQSZACIVSA-N 400.409 0.786 70 20 HCID COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1 1517974292 DPFPELXAAYVMRJ-OAHLLOKOSA-N 422.500 0.857 70 20 HCID COc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1S(N)(=O)=O 780365469 CTXCVIQXPUSAQV-UHFFFAOYSA-N 424.453 0.802 70 20 HCID COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cccc(S(=O)(=O)F)c1 1338944956 VMJWGRVKAAQEHC-UHFFFAOYSA-N 401.460 0.207 70 20 HCID N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 848948283 MKBNKDBDXZSNKX-UHFFFAOYSA-N 415.428 0.577 70 20 HCID O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1339471822 IJOXMEPFOCLWCY-UHFFFAOYSA-N 409.395 1.000 70 20 HCID O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)CCO)cc2)cc1 771830130 TWVAZDDFUMQYGB-UHFFFAOYSA-N 423.465 0.912 70 20 HCID CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 1123649453 RNYZUBIWFRUHQQ-NSHDSACASA-N 404.464 0.954 70 20 HCID O=C(CN[C@H](c1ccccc1)C1CC1)N1CCN(CC(=O)N2CCOCC2)CC1 218203086 YQIFYXWJAFVHNY-JOCHJYFZSA-N 400.523 0.730 70 20 HCID CCCc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(C)CC3)CC2)cc1 216628746 VOTMABQJTLYEPO-UHFFFAOYSA-N 408.568 0.719 70 20 HCID Cn1ncc2c(N3CCN(C(=O)CCn4c(=O)n(C)c5ccccc54)CC3)ncnc21 218141522 LSDULNPXUQXTQS-UHFFFAOYSA-N 420.477 0.756 70 20 HCID NS(=O)(=O)c1cc(F)cc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1 780377695 QLWHTTKULCTJOR-UHFFFAOYSA-N 412.417 0.932 70 20 HCID O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1004717283 HRMTUZNVGFPDBO-OLZSPKSXSA-N 423.466 0.958 70 20 HCID CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1340630605 REGBNWBMZPTFEE-UHFFFAOYSA-N 424.520 0.798 70 20 HCID O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)c1cc(S(=O)(=O)F)c[nH]1 1345749539 WBZOEAUDJGWJPT-UHFFFAOYSA-N 409.443 0.537 70 20 HCID CNS(=O)(=O)c1cccc2c1CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1123726723 BRAGTGXOGDUSDW-UHFFFAOYSA-N 401.441 0.780 70 20 HCID NC(=O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 771830851 FSUCBYFTQRYSRM-UHFFFAOYSA-N 415.424 0.361 70 20 HCID Cc1nc(Cn2nnc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)c2C)no1 848945569 REPVAWLLGGSQMZ-UHFFFAOYSA-N 416.416 0.785 70 20 HCID COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346848105 GSELNQUGWQHUKZ-LLVKDONJSA-N 411.477 0.186 70 20 HCID C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C1 1518678762 MCFOHXPFVHUAHG-OKILXGFUSA-N 414.503 0.935 70 20 HCID CC(C)(CNC(=O)CN[C@@H](CN1CCOCC1)c1ccccc1)N1CCOCC1 216774052 KHIGCWIVVWUYTK-FQEVSTJZSA-N 404.555 0.877 70 20 HCID NS(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1 780375476 WTXRULNJCKENAI-UHFFFAOYSA-N 412.417 0.932 70 20 HCID COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2=O)cc1 1123727916 SGHFGANNNAMMOW-INIZCTEOSA-N 410.383 0.794 70 20 HCID O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 998939823 HRMTUZNVGFPDBO-IMKMJAKTSA-N 423.466 0.958 70 20 HCID CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(S(=O)(=O)F)c1 1339472900 VLTOKCAYANFLIB-GFCCVEGCSA-N 406.457 0.110 70 20 HCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)CBr)CC1 1346641631 JTDCEIJYLGGGBW-UHFFFAOYSA-N 418.266 0.113 70 20 HCID CN(C)[C@@H](CNC(=O)CN1CCC(C(=O)N2CCOCC2)CC1)c1ccccc1 216665190 YXZZHTXACFTNMI-FQEVSTJZSA-N 402.539 0.976 70 20 HCID CS(=O)(=O)CCn1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O 865208998 DRAAQMGEOCYMIP-UHFFFAOYSA-N 402.425 0.803 70 20 HCID O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(S(=O)(=O)F)cc1 865206973 DBIGIIFJCLVXRN-UHFFFAOYSA-N 407.427 0.812 70 20 HCID CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1520005984 DRXMLFFQZOYUJD-NSHDSACASA-N 411.459 1.000 70 20 HCID C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1520702956 KUBRECVJEHVXEP-CYBMUJFWSA-N 400.476 0.832 70 20 HCID Cn1cnc2c1c(=O)n(CC(=O)NCCc1ccccc1OC(F)F)c(=O)n2C 217160841 UWISNBMSYSVFEU-UHFFFAOYSA-N 407.377 0.394 70 20 HCID NC(=O)CNC(=O)c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1 780377156 RZCUPWFVKNJEJV-UHFFFAOYSA-N 415.424 0.361 70 20 HCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1520865726 OQMXNGFRFHDLKR-UHFFFAOYSA-N 424.458 0.262 70 20 HCID Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n(C)n1 217146658 NOJALKJQDYENHX-UHFFFAOYSA-N 413.450 0.952 70 20 HCID O=C1CCc2cc(OC[C@@H](O)CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)ccc2N1 1346318210 FKFLDSHSMZVWMT-NSHDSACASA-N 411.411 0.727 70 20 HCID COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1 1517974284 DPFPELXAAYVMRJ-HNNXBMFYSA-N 422.500 0.857 70 20 HCID O=C(Nc1ccc(S(=O)(=O)F)cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 763177975 VHFAASYGZBSWLV-NSHDSACASA-N 417.440 0.449 70 20 HCID CCCc1cc(=O)n2[nH]c(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)nc2n1 848947867 NOEGXHYOKYDVOE-UHFFFAOYSA-N 415.428 0.829 70 20 HCID O=S1(=O)CC[C@@H](N2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)C1 216896944 FXNIJIMVYMZEMS-CQSZACIVSA-N 408.492 0.988 70 20 HCID O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc2c(c1)OCCO2 771831917 SRGWQSKLYKRIPY-UHFFFAOYSA-N 416.408 0.739 70 20 HCID CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1520005983 DRXMLFFQZOYUJD-LLVKDONJSA-N 411.459 1.000 70 20 HCID O=C(COCc1ccccc1)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 771829618 ILHMVHHOZXTGDQ-UHFFFAOYSA-N 402.425 0.871 70 20 HCID COc1cccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1O 771829853 LYWYRDZTHLMEBX-UHFFFAOYSA-N 404.397 0.682 70 20 HCID O=C(c1cccc(S(=O)(=O)F)c1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1120948003 QITZJDMONTZBFL-OAHLLOKOSA-N 420.484 0.611 70 20 HCID O=C([C@@H](O)[C@H](O)c1nc2ccccc2s1)N1CCN(CCN2CCCC2)CC1 218376594 CESISTBAXFAGAJ-ROUUACIJSA-N 404.536 0.931 70 20 HCID CS(=O)(=O)CCn1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1=O 1121031901 GUCFENDSVGHRKH-UHFFFAOYSA-N 402.425 0.803 70 20 HCID CC(=O)NCCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H](C)C(=O)OC(C)(C)C 1527976270 AZWBMPWFXFQNFN-SNVBAGLBSA-N 405.448 0.981 70 20 HCID CN(C)C(=O)CN(C)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 218093683 GNRDXUDNVOCALT-UHFFFAOYSA-N 413.404 0.906 70 20 HCID C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C1 1518678767 MCFOHXPFVHUAHG-ZIAGYGMSSA-N 414.503 0.935 70 20 HCID O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1 771830820 DQZRJKLQGPWUAX-UHFFFAOYSA-N 416.408 0.960 70 20 HCID CC(C)C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)N1CC[C@@H](N(C)C)C1 1263791546 YGRHPKKLSSVNIE-DOMZBBRYSA-N 402.492 0.980 70 20 HCID O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1cc(S(=O)(=O)F)c[nH]1 1000526426 GVHZWNBSESFHLY-IMKMJAKTSA-N 423.466 0.958 70 20 HCID CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1263716903 QQIZDUGOHIIMDH-UHFFFAOYSA-N 411.477 0.186 70 20 HCID COCCCS(=O)(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1 1336961558 LQQVZVGOCIOAHI-UHFFFAOYSA-N 408.473 0.469 70 20 HCID CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(Cc3ccncc3)CC1)n2C 216678370 RLJSBNNCMWQDNU-UHFFFAOYSA-N 411.510 0.936 70 20 HCID O=S1(=O)CC[C@H](N2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)C1 216896978 FXNIJIMVYMZEMS-AWEZNQCLSA-N 408.492 0.988 70 20 HCID O=C(NNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1csc(N2CCOCC2)n1 1518676765 CZNWXBRLNYVIDZ-UHFFFAOYSA-N 403.417 0.041 70 20 HCID O=C(CN[C@@H](c1ccccc1)C1CC1)N1CCN(CC(=O)N2CCOCC2)CC1 218203024 YQIFYXWJAFVHNY-QFIPXVFZSA-N 400.523 0.730 70 20 HCID CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1 848947587 YDHIMRNGBSEVPL-UHFFFAOYSA-N 409.442 0.449 70 20 HCID Cc1ccccc1C(=O)NC1CCN(C(=O)CN(C)CCN2CCOCC2)CC1 217198110 KWJVVNWOOQDHRD-UHFFFAOYSA-N 402.539 0.980 70 20 HCID N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1 848948375 QTNVVYDNDNJVIK-UHFFFAOYSA-N 415.428 0.577 70 20 HCID O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 975230925 XUJDFXADLNJLOM-PQGCDIAQSA-N 423.466 0.769 70 20 HCID CN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1 216683949 BSBCYOFABPQGHE-UHFFFAOYSA-N 402.467 0.045 70 20 HCID C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCN(C(=O)CN2CCOCC2)CC1 218021253 SZOQZHUURYKLAS-SFHVURJKSA-N 400.523 0.436 70 20 HCID O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(S(=O)(=O)F)c1 1120944821 ZXFDSOVRUNCRIT-CYBMUJFWSA-N 408.473 0.563 70 20 HCID O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)c1ccc([N+](=O)[O-])cc1 780363247 NHYLUKDSCHGSKA-UHFFFAOYSA-N 403.369 0.876 70 20 HCID Cc1cn2c(CN(C)C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)c(C)nc2s1 217126950 DIRNLTRAJGBRDA-UHFFFAOYSA-N 415.479 0.418 70 20 HCID O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(S(=O)(=O)F)c1 1120944822 ZXFDSOVRUNCRIT-ZDUSSCGKSA-N 408.473 0.563 70 20 HCID O=C(Nc1cccc(S(=O)(=O)F)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 769661051 BRXPOPYKBSJDIF-NSHDSACASA-N 417.440 0.449 70 20 HCID CCOC(=O)Cn1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1=O 771841515 YXFLCPLCGIOOSK-UHFFFAOYSA-N 418.424 0.870 70 20 HCID Cc1nc(Cn2nnc(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)c2C)no1 848945849 VINHFWOAVOAFQE-UHFFFAOYSA-N 416.416 0.785 70 20 HCID CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)F)cc2)c1 865205111 GLBFBUXFBFIMBJ-UHFFFAOYSA-N 400.409 0.823 70 20 HCID CCN(CC)CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCS(=O)(=O)C1 1348034316 KJSLQNSNUULWSL-LBPRGKRZSA-N 409.505 0.644 70 20 HCID O=C(NCC(=O)N1CCN(Cc2ccccc2)CC1)c1cc(S(=O)(=O)F)c[nH]1 1348646523 IRHDUAXULDJZIK-UHFFFAOYSA-N 408.455 0.747 70 20 HCID COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346848145 GSELNQUGWQHUKZ-NSHDSACASA-N 411.477 0.186 70 20 HCID O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1338260919 QLILWLZYQPJHFK-INIZCTEOSA-N 409.439 0.873 70 20 HCID COc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc(OC)c1OC 1339471720 GLBPGZXVSICPMU-UHFFFAOYSA-N 401.372 0.774 70 20 HCID O=C1CCc2cc(OC[C@H](O)CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)ccc2N1 1346318187 FKFLDSHSMZVWMT-LLVKDONJSA-N 411.411 0.727 70 20 HCID Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)n(C)c1=O 776365717 MHKQEDJEPIKHBF-UHFFFAOYSA-N 409.399 0.121 70 20 HCID C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(CC(N)=O)CC1 216889407 TXOVFTLPPAAJIA-SECBINFHSA-N 403.302 0.258 70 20 HCID O=C(Nc1cccc(S(=O)(=O)F)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 769661049 BRXPOPYKBSJDIF-LLVKDONJSA-N 417.440 0.449 70 20 HCID COCCN(C(=O)Nc1ccc(NS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 217282775 UYEFBKOGPNCHNN-CQSZACIVSA-N 405.498 0.726 70 20 HCID O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)c1cccc([N+](=O)[O-])c1 780362355 AYRLJEZRDPAJEJ-UHFFFAOYSA-N 403.369 0.876 70 20 HCID Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCN(C(=O)CN2CCOCC2)CC1 218772591 BLJLVSGYUQKPAX-IBGZPJMESA-N 402.539 0.818 70 20 HCID C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cn2)C[C@H](C)O1 1336961215 GZDRVMAGMDXSLA-QWRGUYRKSA-N 413.431 0.758 70 20 HCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 1351022160 HLVQLVCCBGBYDX-UHFFFAOYSA-N 419.442 0.607 70 20 HCID COCCN(C(=O)Nc1ccc(NS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 217282777 UYEFBKOGPNCHNN-AWEZNQCLSA-N 405.498 0.726 70 20 HCID CN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 216780142 FLUBQKJPRDYVOU-UHFFFAOYSA-N 418.922 0.559 70 20 HCID COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccc(S(=O)(=O)F)cc1 865210860 RREQLIAPALEILL-UHFFFAOYSA-N 401.460 0.207 70 20 HCID O=C1CCN(CC(=O)Nc2ncn(Cc3ccc(Br)cc3)n2)C(=O)N1 216976929 VCSCKELQFUPIEM-UHFFFAOYSA-N 407.228 0.969 70 20 HCID NC(=O)NC(=O)c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1 802722380 NQSBLVSQRGHPTH-UHFFFAOYSA-N 401.397 0.954 70 20 HCID O=C(c1ccc(S(=O)(=O)F)cc1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 865209635 BKCHLKAAGYNIDH-OAHLLOKOSA-N 420.484 0.611 70 20 HCID CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1347339457 FVBNKKXOCXFAKQ-UHFFFAOYSA-N 418.472 0.529 70 20 HCID Cn1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c(=O)n(C)c1=O 217877790 UFXSZWPTBLLCJY-UHFFFAOYSA-N 410.196 0.926 70 20 HCID CC(=O)NCCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](C)C(=O)OC(C)(C)C 1527976266 AZWBMPWFXFQNFN-JTQLQIEISA-N 405.448 0.981 70 20 HCID O=C(O)CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)F)c2)cc1 768889680 HZWQQUNYUQPOIX-UHFFFAOYSA-N 416.408 0.960 70 20 HCID CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1O 848945985 ZEAIKZFGKGCBOI-UHFFFAOYSA-N 424.453 0.759 70 20 HCID NC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCO1 216986247 KTSHPBKTCJOGNB-OLXGIWCBSA-N 407.492 0.412 70 20 HCID Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cc(S(=O)(=O)F)c[nH]3)no2)cn1 1337519810 JSHIAINGPAWQPI-LBPRGKRZSA-N 410.387 0.670 70 20 HCID Cc1c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cnc2c1c(=O)n(C)c(=O)n2C 776368050 NECWPESUSJEVQR-UHFFFAOYSA-N 406.395 0.851 70 20 HCID CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 217879885 ZOHKBWWWNBIFGS-UHFFFAOYSA-N 406.386 0.970 70 20 HCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 1263760363 AXKRFTSZCNEXTK-UHFFFAOYSA-N 413.452 0.890 70 20 HCID COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1 865209610 AKFKQQMZJVEVAB-OAHLLOKOSA-N 422.500 0.857 70 20 HCID Cc1c(C(=O)Nc2cccc(S(=O)(=O)F)c2)cnc2c1c(=O)n(C)c(=O)n2C 809280957 CJRPHPNSFBLUMN-UHFFFAOYSA-N 406.395 0.851 70 20 HCID CCN(CC)CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCS(=O)(=O)C1 1348034315 KJSLQNSNUULWSL-GFCCVEGCSA-N 409.505 0.644 70 20 HCID NC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1 780383724 VPWKIEDKQOIWSC-UHFFFAOYSA-N 415.424 0.361 70 20 HCID NC(=O)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 848945972 YTLATWMJNFSHGP-UHFFFAOYSA-N 401.397 0.569 70 20 HCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 1347458577 WFBWWFOJGLLAQE-LBPRGKRZSA-N 401.441 0.897 70 20 HCID C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2cn3ccccc3n2)CC1 217135472 OGQUBWNOYRDKKT-JKSUJKDBSA-N 405.524 0.144 70 20 HCID CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 1123649452 RNYZUBIWFRUHQQ-LLVKDONJSA-N 404.464 0.954 70 20 HCID COCCCS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1 865209419 SEWVTEZXMBPAHV-UHFFFAOYSA-N 408.473 0.469 70 20 HCID Cn1cc(I)c(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1262787579 BVXIVRBVYWTQNZ-UHFFFAOYSA-N 412.184 0.941 70 20 HCID CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NCC3CN(S(=O)(=O)F)C3)c21 1974055748 VRSRJTUXJSSDOR-UHFFFAOYSA-N 403.436 0.514 70 20 HCID COCCNS(=O)(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1 1123525172 WWFXOFFXLBNKKV-UHFFFAOYSA-N 419.456 0.528 70 20 HCID COCCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 217622446 RNKICQCQNGGVEB-UHFFFAOYSA-N 411.506 0.881 70 20 HCID CO[C@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1Cl 218324401 LIULEYQESZCWTJ-CYBMUJFWSA-N 405.842 0.591 70 20 HCID COc1cccc(S(N)(=O)=O)c1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1 848947991 VVMVFZXGXVEYSR-UHFFFAOYSA-N 424.453 0.802 70 20 HCID O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 865208767 WEEPHYXWPTYOJB-UHFFFAOYSA-N 417.440 0.621 70 20 HCID O=C(c1cccc(S(=O)(=O)F)c1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1120948002 QITZJDMONTZBFL-HNNXBMFYSA-N 420.484 0.611 70 20 HCID Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3cc(S(=O)(=O)F)c[nH]3)no2)cn1 1337519809 JSHIAINGPAWQPI-GFCCVEGCSA-N 410.387 0.670 70 20 HCID Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3cccc(S(=O)(=O)F)c3)cnc21 768886897 QUHCPYFHWGYBHP-UHFFFAOYSA-N 414.396 0.493 70 20 HCID CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(S(=O)(=O)F)cc1 865206012 QBMVOQGEMPWKNA-LBPRGKRZSA-N 406.457 0.110 70 20 HCID NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1 780367399 PFQKDJMFYUKPNQ-UHFFFAOYSA-N 408.454 0.934 70 20 HCID O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1cc(S(=O)(=O)F)c[nH]1 1006338105 GVHZWNBSESFHLY-OLZSPKSXSA-N 423.466 0.958 70 20 HCID O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1cc(S(=O)(=O)F)c[nH]1 1345746138 AZCNUUWKFHFHRV-UHFFFAOYSA-N 402.429 0.871 70 20 HCID C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2cn3ccccc3n2)CC1 217135486 OGQUBWNOYRDKKT-HZPDHXFCSA-N 405.524 0.144 70 20 HCID CCc1cc(=O)n2[nH]c(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)nc2n1 848946381 CCSMLCGLLOHPDN-UHFFFAOYSA-N 401.401 0.439 70 20 HCID O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCN(Cc2cccnc2)CC1 217684181 OVNRAZLSZFUWLX-UHFFFAOYSA-N 419.485 0.798 70 20 HCID NS(=O)(=O)c1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cc1 1123469626 YYLJMTJZSCAFPV-UHFFFAOYSA-N 416.456 0.283 70 20 HCID O=C(CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1)NCc1ccccc1 1123567868 LKZAJZSLYUSKQE-UHFFFAOYSA-N 408.455 0.747 70 20 HCID COc1ccc(S(N)(=O)=O)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 848948501 YKRVLGSDPQPHFE-UHFFFAOYSA-N 424.453 0.802 70 20 HCID NS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1 780376639 YLDHAQPTPAHYSE-UHFFFAOYSA-N 409.442 0.761 70 20 HCID O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1338260920 QLILWLZYQPJHFK-MRXNPFEDSA-N 409.439 0.873 70 20 HCID CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346340381 HAVGPFZLEVPCAW-NSHDSACASA-N 403.432 0.547 70 20 HCID CCc1nnc(CN(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)o1 216904523 XJGDUBWQZOQOHM-UHFFFAOYSA-N 400.439 0.766 70 20 HCID NC(=O)NC(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 848944960 DCJSNMIWKHPTGD-UHFFFAOYSA-N 401.397 0.954 70 20 HCID CN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 216628678 BKNNDBAXSISJAU-UHFFFAOYSA-N 400.932 0.420 70 20 HCID COCCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cn1 771829626 IRSCMUWUUSIKLX-UHFFFAOYSA-N 420.444 0.105 70 20 HCID O=C1CN(c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)cn2)CCN1 848946506 KFSAWXGSXXUORD-UHFFFAOYSA-N 414.440 0.477 70 20 HCID NS(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 771831949 UBZBACWNTQDSLZ-UHFFFAOYSA-N 412.417 0.932 70 20 HCID NC(=O)C(=O)Nc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1 800843866 FABPLCRFXSSRRM-UHFFFAOYSA-N 401.397 0.569 70 20 HCID COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2=O)c1 1123727433 MQVHOVYTCQOZOT-MRXNPFEDSA-N 410.383 0.794 70 20 HCID CN1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccccc2)C1 216733626 BUDLQXKFZUACSX-HXUWFJFHSA-N 416.547 0.981 70 20 HCID CN(C)CCn1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ccc1=O 848947547 WFUBZTMQSXTDQS-UHFFFAOYSA-N 403.457 0.869 70 20 HCID CN1CCN(C(=O)c2ccc(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc2)CC1 1350748064 VYDZSGYWNLXYLS-UHFFFAOYSA-N 408.455 0.991 70 20 HCID C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N(C)CCN1CCOCC1 217162798 ZOOXMJDOOLFDFS-LBPRGKRZSA-N 402.417 0.811 70 20 HCID O=C(CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1)NC1CCCCC1 1519146107 KBRKBXICARVKKG-UHFFFAOYSA-N 400.476 0.880 70 20 HCID C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C1 1518678745 MCFOHXPFVHUAHG-KBPBESRZSA-N 414.503 0.935 70 20 HCID NS(=O)(=O)c1cc(F)cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 771830391 YHORUWPAHNQSLN-UHFFFAOYSA-N 412.417 0.932 70 20 HCID NC(=O)C1CCN(c2ncccc2CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1346340349 GMTOAPPBUBWWBT-UHFFFAOYSA-N 409.443 0.700 70 20 HCID CCOCCCNC(=O)[C@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 218766558 UQKKXDYQVWHLAZ-HNNXBMFYSA-N 407.540 0.805 70 20 HCID O=S1(=O)CC[C@H](n2nccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 848946819 BBUQIHYRWZPEHY-JTQLQIEISA-N 423.469 0.702 70 20 HCID O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc([N+](=O)[O-])cc1 771833964 PQZGUNZGXACFFG-UHFFFAOYSA-N 403.369 0.876 70 20 HCID CCOCCCNC(=O)[C@@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 218766518 UQKKXDYQVWHLAZ-OAHLLOKOSA-N 407.540 0.805 70 20 HCID O=C(NCCN1CCOCC1)c1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1 1336920834 MQGDUAGXNAJJEC-UHFFFAOYSA-N 424.454 0.987 70 20 HCID CC(C)C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)N1CC[C@H](N(C)C)C1 1263791547 YGRHPKKLSSVNIE-WFASDCNBSA-N 402.492 0.980 70 20 HCID COc1cc(S(N)(=O)=O)ccc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1 780398827 UEGIURCZSNAQJE-UHFFFAOYSA-N 424.453 0.802 70 20 HCID CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(S(=O)(=O)F)cc1 865206011 QBMVOQGEMPWKNA-GFCCVEGCSA-N 406.457 0.110 70 20 HCID C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cn2)C[C@@H](C)O1 1336961213 GZDRVMAGMDXSLA-GHMZBOCLSA-N 413.431 0.758 70 20 HCID COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)c1 1516702435 XILUIWFQVOYCFG-UHFFFAOYSA-N 424.414 0.938 70 20 HCID O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 771830085 QSQNPIGDEWSRKV-UHFFFAOYSA-N 421.453 0.146 70 20 HCID CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(S(=O)(=O)F)c1 1339472901 VLTOKCAYANFLIB-LBPRGKRZSA-N 406.457 0.110 70 20 HCID O=C1CCN(CC(=O)Nc2ncn(Cc3cccc(Br)c3)n2)C(=O)N1 216976904 ROWAPAQHSJIWNA-UHFFFAOYSA-N 407.228 0.969 70 20 HCID COc1cc(S(N)(=O)=O)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 771839795 KMQQVOXTZBARND-UHFFFAOYSA-N 424.453 0.802 70 20 HCID O=C(Cn1cnc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1)NCc1ccccc1 1351023487 RLPGFXLXQXTHDX-UHFFFAOYSA-N 406.399 0.833 70 20 HCID CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 771841268 UZAWYQJIADSRKO-UHFFFAOYSA-N 411.433 0.179 70 20 HCID Cn1cc(S(=O)(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1C(N)=O 217131958 DNLCQEKGKWYITD-UHFFFAOYSA-N 402.480 0.507 70 20 HCID COCCN(C(=O)NCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 217306186 MYQXHQUNLJBBCY-AWEZNQCLSA-N 423.491 0.518 70 20 HCID NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1 771830713 AUJWCYVBMUCLLC-UHFFFAOYSA-N 408.454 0.934 70 20 HCID COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1S(N)(=O)=O 771832041 WSEHGKQLMXTRGA-UHFFFAOYSA-N 424.453 0.802 70 20 HCID COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1 865209609 AKFKQQMZJVEVAB-HNNXBMFYSA-N 422.500 0.857 70 20 HCID CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)F)c2)c1 1515237170 GANSYNZQRVYAPN-UHFFFAOYSA-N 400.409 0.823 70 20 HCID NS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(S(=O)(=O)F)cc1)CC2 771830185 VARYQYKQSXJDBR-UHFFFAOYSA-N 420.465 0.744 70 20 HCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1347188834 HWBOORRBYFDUKT-UHFFFAOYSA-N 419.431 0.959 70 20 HCID NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 771830369 XYBSNBMHMQNEBA-UHFFFAOYSA-N 408.454 0.934 70 20 HCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@@H]2C1 974664265 GQYKBTHJPCOHCF-PQGCDIAQSA-N 423.466 0.769 70 20 HCID C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1520702959 KUBRECVJEHVXEP-ZDUSSCGKSA-N 400.476 0.832 70 20 HCID Cn1c(=O)c2c(ncn2CCC(=O)Nc2cccc(S(=O)(=O)F)c2)n(C)c1=O 809280641 BNZKSROYJKYRIU-UHFFFAOYSA-N 409.399 0.121 70 20 HCID COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2=O)cc1 1123727917 SGHFGANNNAMMOW-MRXNPFEDSA-N 410.383 0.794 70 20 HCID NC(=O)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCO1 216986261 KTSHPBKTCJOGNB-KMGMULKOSA-N 407.492 0.412 70 20 HCID O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(S(=O)(=O)F)cc1 865207392 IEAQNGBAZOOOEX-ZDUSSCGKSA-N 408.473 0.563 70 20 HCID C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 990015721 IEVDJPFHPWSYCN-ILDGRZEQSA-N 411.455 0.816 70 20 HCID C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cn2)C[C@@H](C)O1 1336961214 GZDRVMAGMDXSLA-PHIMTYICSA-N 413.431 0.758 70 20 HCID O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1 780366951 SGZLSERBIARMIZ-UHFFFAOYSA-N 416.408 0.960 70 20 HCID CN(C)[C@H](CNC(=O)CN1CCC(C(=O)N2CCOCC2)CC1)c1ccccc1 216665231 YXZZHTXACFTNMI-HXUWFJFHSA-N 402.539 0.976 70 20 HCID O=C(CCc1ccccc1O)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 771830064 PWLMMCDYZOTIBQ-UHFFFAOYSA-N 402.425 0.993 70 20 HCID Nc1c(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cccc1S(N)(=O)=O 780397099 JBNNEWBNHXRICC-UHFFFAOYSA-N 409.442 0.375 70 20 HCID COCCN(C(=O)NCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 217306185 MYQXHQUNLJBBCY-CQSZACIVSA-N 423.491 0.518 70 20 HCID CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1519147141 QZSXXMVMPIJEFO-UHFFFAOYSA-N 403.432 0.547 70 20 HCID O=C(CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1)N1CCCCCC1 1120866482 QXQVXBYDCONZAT-UHFFFAOYSA-N 400.476 0.833 70 20 HCID Cc1cc(NC(=O)CN2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n(C)n1 217149849 MHMUUOPRAZJJAZ-UHFFFAOYSA-N 401.496 0.554 70 20 HCID COc1ccc(S(=O)(=O)N2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)cc1 1521205508 GKZWKHZQQFAYFA-UHFFFAOYSA-N 417.440 0.484 70 20 HCID COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 771831859 QPIOHHJROZJHJS-UHFFFAOYSA-N 418.424 0.985 70 20 HCID O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1cccc([N+](=O)[O-])c1 771830786 DBZRFZJYAAGWKZ-UHFFFAOYSA-N 403.369 0.876 70 20 HCID CN1CCN(CCNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 217130953 OIMQYTUHJUISEW-UHFFFAOYSA-N 408.446 0.504 70 20 HCID CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1349547029 QQCWEHWUSMXMNI-UHFFFAOYSA-N 417.431 0.804 70 20 HCID O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1n[nH]c2c1CCCC2 1321333955 HVFWYVNEFVMPJQ-UHFFFAOYSA-N 402.429 0.570 70 20 HCID COc1cccc(S(N)(=O)=O)c1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 848947880 OMPAYDWUPVFEAI-UHFFFAOYSA-N 424.453 0.802 70 20 HCID C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 217098397 KRSAXICVHTYESO-LBPRGKRZSA-N 415.527 0.468 70 20 HCID C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(Cc2cn3ccccc3n2)CC1 217135506 OGQUBWNOYRDKKT-CVEARBPZSA-N 405.524 0.144 70 20 HCID NC(=O)CN1CCN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)CC1 216889581 YRRYFINYTQKEOT-UHFFFAOYSA-N 400.336 0.668 70 20 HCID C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N(C)CCN1CCOCC1 217162806 ZOOXMJDOOLFDFS-GFCCVEGCSA-N 402.417 0.811 70 20 HCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1346040826 PJHMEPPSGPXTMI-UHFFFAOYSA-N 415.468 0.961 70 20 HCID C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(CC(N)=O)CC1 216889452 TXOVFTLPPAAJIA-VIFPVBQESA-N 403.302 0.258 70 20 HCID Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1520702918 JVIRMLAQPNCVTM-UHFFFAOYSA-N 417.444 0.349 70 20 HCID O=S1(=O)CC[C@@H](n2nccc2NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 848946820 BBUQIHYRWZPEHY-SNVBAGLBSA-N 423.469 0.702 70 20 HCID NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1F 780397136 KOTDWFSOPMVXHN-UHFFFAOYSA-N 412.417 0.932 70 20 HCID C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(Cc2cn3ccccc3n2)CC1 217135497 OGQUBWNOYRDKKT-HOTGVXAUSA-N 405.524 0.144 70 20 HCID CN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 216628563 IESHTXXZVCNTAI-UHFFFAOYSA-N 406.961 0.482 70 20 HCID O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1337726976 WDBLFOHYICGDFM-UHFFFAOYSA-N 423.470 0.646 70 20 HCID Cc1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)nc2c1c(=O)n(C)c(=O)n2C 776368381 UVKAALWFKQEYLL-UHFFFAOYSA-N 406.395 0.851 70 20 HCID Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)NCC1CN(S(=O)(=O)F)C1 1974054485 DOFUZBPFXUFGHK-UHFFFAOYSA-N 405.452 0.321 70 20 HCID NS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 771832403 ZKTCDRUTHGNJDU-UHFFFAOYSA-N 409.442 0.761 70 20 HCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@@H]2C1 1022290188 FLBLDPMGFMWBPY-RPQFDBLMSA-N 423.466 0.769 70 20 HCID O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cccc(S(=O)(=O)F)c1 1354469568 NBIPPMDLFDICHJ-UHFFFAOYSA-N 407.427 0.812 70 20 HCID O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(S(=O)(=O)F)cc1 865207391 IEAQNGBAZOOOEX-CYBMUJFWSA-N 408.473 0.563 70 20 HCID O=C1CN(CCS(=O)(=O)F)c2ccc(S(=O)(=O)N3CCCCC3)cc2N1 883953826 MFKCSUAMTPLCCR-UHFFFAOYSA-N 405.473 0.919 70 20 HCID CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346340372 HAVGPFZLEVPCAW-LLVKDONJSA-N 403.432 0.547 70 20 HCID O=C(NCCCCN1CCN(c2ncccn2)CC1)c1cc(S(=O)(=O)F)c[nH]1 1351021927 FUFOKTCSGWWVME-UHFFFAOYSA-N 410.475 0.795 70 20 HCID CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1123562214 KZOXXFQTYICSCJ-UHFFFAOYSA-N 418.447 0.482 70 20 HCID CC(C)N(CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC(=O)Nc1ccc(F)cc1 216648181 WHIPYEXGMGMOSG-UHFFFAOYSA-N 416.457 0.922 70 20 HCID CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1 780398251 ULKXTAIOXLSOQD-UHFFFAOYSA-N 411.433 0.179 70 20 HCID CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1348384963 NJRMTKKBLQKWCG-UHFFFAOYSA-N 404.464 0.955 70 20 HCID NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1 780383146 BCZUUPIUISRSCT-UHFFFAOYSA-N 408.454 0.934 70 20 HCID COc1ccc(S(N)(=O)=O)c(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1 848948181 GOXDRNUISQRQBK-UHFFFAOYSA-N 424.453 0.802 70 20 HCID Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1346209557 UBEWQJHCCSTXCS-UHFFFAOYSA-N 420.444 0.424 70 20 HCID O=C1CN(C(=O)c2ccc(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)cc2)CCN1 1348385542 XIDPPYJOXHINEX-UHFFFAOYSA-N 408.411 0.175 70 20 HCID O=C(CN1CCC(=O)NC1=O)NCCCN1CCN(c2ccccc2Cl)CC1 216922637 OXZJHUUPZZJVSK-UHFFFAOYSA-N 407.902 0.910 70 20 HCID O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(S(=O)(=O)F)c[nH]1 1337667379 PAZBHDOPSNDKGX-UHFFFAOYSA-N 417.440 0.946 70 20 HCID Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cs1 1346796669 PAAYLRORYXIKSC-UHFFFAOYSA-N 422.485 0.585 70 20 HCID CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1 848947816 KVNLUGICOBYDEG-UHFFFAOYSA-N 423.469 0.791 70 20 HCID CO[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1Cl 218324344 LIULEYQESZCWTJ-ZDUSSCGKSA-N 405.842 0.591 70 20 HCID CN1CCN(CCNC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 217086404 OIMIGGSGSZHEKB-UHFFFAOYSA-N 404.536 0.872 70 20 HCID O=C(Cn1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cn1)NC1CC1 771831150 KPDHHSXOFBOKAT-UHFFFAOYSA-N 402.429 0.621 70 20 HCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1347458562 WFBWWFOJGLLAQE-GFCCVEGCSA-N 401.441 0.897 70 20 HCID NC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1 771829508 GCRZCDYZIAJSSX-UHFFFAOYSA-N 415.424 0.361 70 20 HCID O=C(NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1cc(S(=O)(=O)F)c[nH]1 1338259685 GGUYXYXRMNSFMC-UHFFFAOYSA-N 423.488 0.376 70 20 HCID CS(=O)(=O)Nc1ccc(OCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1 1346929511 QFIXNCYMWNHGCU-UHFFFAOYSA-N 405.429 0.853 70 20 HCID CN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)S(=O)(=O)c1ccc(F)cc1 1517975535 OPYWCSOUGAQVFJ-UHFFFAOYSA-N 407.420 0.863 70 20 HCID C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 989154016 AKRTVFDWVUYILO-ILDGRZEQSA-N 411.455 0.816 70 20 HCID COCCN(C(=O)NCCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 217282256 YZFVSMVDMTVHQN-ZDUSSCGKSA-N 409.464 0.128 70 20 HCID O=C([C@H](O)[C@H](O)c1nc2ccccc2s1)N1CCN(CCN2CCCC2)CC1 218376656 CESISTBAXFAGAJ-ZWKOTPCHSA-N 404.536 0.931 70 20 HCID O=C(Nc1ccc(S(=O)(=O)F)cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 763177936 VHFAASYGZBSWLV-LLVKDONJSA-N 417.440 0.449 70 20 HCID CNS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1 811724848 TYGFJFOWZCJBQF-UHFFFAOYSA-N 424.453 0.759 70 20 HCID O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc2c(c1)OCO2 771831288 LMHRQQLTBIEGEB-UHFFFAOYSA-N 402.381 0.697 70 20 HCID C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 217098410 KRSAXICVHTYESO-GFCCVEGCSA-N 415.527 0.468 70 20 HCID NC(=O)CN1CCN(C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)CC1 216889639 OSWXZYNYKUGOSA-UHFFFAOYSA-N 400.336 0.668 70 20 HCID CNS(=O)(=O)c1cc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)ccc1O 790407559 NTWGMRZRIBTBSJ-UHFFFAOYSA-N 424.453 0.759 70 20 HCID Cc1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)nc2c1c(=O)n(C)c(=O)n2C 809282673 UCKDOHGEIUWEPJ-UHFFFAOYSA-N 406.395 0.851 70 20 HCID O=C([C@@H](O)[C@@H](O)c1nc2ccccc2s1)N1CCN(CCN2CCCC2)CC1 218376468 CESISTBAXFAGAJ-MSOLQXFVSA-N 404.536 0.931 70 20 HCID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 959673287 SWROEAIDJJKCTI-BMWSJCARSA-N 411.455 0.673 70 20 HCID O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1nc(-c2ccncc2)no1 218314759 ZKNHECKGGWTERV-UHFFFAOYSA-N 418.413 0.820 70 20 HCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 1123567805 KJQIAYGAMGVOAV-UHFFFAOYSA-N 401.441 0.820 70 20 HCID CC(C)(CNC(=O)CN[C@H](CN1CCOCC1)c1ccccc1)N1CCOCC1 216774099 KHIGCWIVVWUYTK-HXUWFJFHSA-N 404.555 0.877 70 20 HCID NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c2ccccc2O1 771831004 GGPHXMHEGQMZFL-AWEZNQCLSA-N 400.409 0.786 70 20 HCID O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)c1cc(S(=O)(=O)F)c[nH]1 1337492562 WKNQMIRNMKOEOK-UHFFFAOYSA-N 411.383 0.659 70 20 HCID O=C([C@H](O)[C@@H](O)c1nc2ccccc2s1)N1CCN(CCN2CCCC2)CC1 218376533 CESISTBAXFAGAJ-QZTJIDSGSA-N 404.536 0.931 70 20 HCID O=C(c1cccc(S(=O)(=O)F)c1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1516700848 BJTYKJZRMOOEEG-UHFFFAOYSA-N 417.440 0.621 70 20 HCID NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)c1cccc(S(=O)(=O)F)c1 848948231 JZEKLDBCPVUNKJ-UHFFFAOYSA-N 412.417 0.932 70 20 HCID O=C(c1ccc(S(=O)(=O)F)cc1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 865209634 BKCHLKAAGYNIDH-HNNXBMFYSA-N 420.484 0.611 70 20 HCID C[C@H](C(=O)N1CCc2ccccc2C1)N1CCN(C(=O)CN2CCOCC2)CC1 218021322 SZOQZHUURYKLAS-GOSISDBHSA-N 400.523 0.436 70 20 HCID CS(=O)(=O)CCn1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n1 771829307 ALCAJDKVAMJMTA-UHFFFAOYSA-N 411.458 0.387 70 20 HCID O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1022735151 PGZFBJXBGXNBKW-RPQFDBLMSA-N 423.466 0.769 70 20 HCID CN(C)c1ncc(Br)cc1C(=O)NCCN1CCS(=O)(=O)CC1 217179041 GYAXLXGCTLMLME-UHFFFAOYSA-N 405.318 0.370 70 20 HCID O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccc(CN2CCOCC2)cc1 217993741 JEPKBEMPSVYTER-UHFFFAOYSA-N 423.267 0.770 70 20 HCID COCCNS(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1 1518681313 ZZKQLAAWAJZOFO-UHFFFAOYSA-N 419.456 0.528 70 20 HCID CC(C)NC(=O)C(=O)N1CCN(CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1 216906413 RIFINWKGAUHMBO-UHFFFAOYSA-N 418.416 0.839 70 20 HCID O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(S(=O)(=O)F)c[nH]1 1262733032 CMXHZLXIEWMFPN-UHFFFAOYSA-N 421.394 0.964 70 20 HCID CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1349622649 OOKGYWMZVNHZBE-UHFFFAOYSA-N 423.419 0.610 70 20 HCID O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(S(=O)(=O)F)c[nH]1 1348035307 QJXTZWCUZNYTJZ-UHFFFAOYSA-N 407.367 0.717 70 20 HCID CN(C)[C@@H](CNC(=O)CN1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1 216703140 CBFXTTIFRDAPED-FQEVSTJZSA-N 401.555 0.646 70 20 HCID O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCN(c2cccc(O)c2)CC1 217033802 QNWDCZCHAMCHGT-UHFFFAOYSA-N 409.240 0.354 70 20 HCID COCCN(C(=O)NCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 217282255 YZFVSMVDMTVHQN-CYBMUJFWSA-N 409.464 0.128 70 20 HCID COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2=O)c1 1123727432 MQVHOVYTCQOZOT-INIZCTEOSA-N 410.383 0.794 70 20 HCID O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(S(=O)(=O)F)c[nH]1 1263716726 LICNSDGRUJOEAG-UHFFFAOYSA-N 403.404 0.667 70 20 HCID CNS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 848946271 WFJLWPQDNHRDTE-UHFFFAOYSA-N 424.453 0.759 70 20 HCID Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCN(C(=O)CN2CCOCC2)CC1 218772506 BLJLVSGYUQKPAX-LJQANCHMSA-N 402.539 0.818 70 20 HCID CN(C)[C@H](CNC(=O)CN1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1 216703178 CBFXTTIFRDAPED-HXUWFJFHSA-N 401.555 0.646 70 20 HCID