smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCS(=O)(=O)F)C1=O 883953308 QAYYBEJSZHHHFE-ZDUSSCGKSA-N 344.320 0.482 70 20 ECID CC[C@@](COC)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC 1354887217 ZYQDYVOSRAKFNO-LBPRGKRZSA-N 336.341 0.371 70 20 ECID O=C(O)C[C@@H]1COCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1601962909 DDRCPEVESVXEDH-LLVKDONJSA-N 345.348 0.589 70 20 ECID CCOCCN(CC)C(=O)N[C@H]1CCc2nc(COC)nn2C1 160638538 SWBHDZQVAPZQMF-LBPRGKRZSA-N 325.413 0.807 70 20 ECID COC(=O)c1ccc(C(=O)NCC2CCN(CCO)CC2)s1 160717579 KIOHWJCAYMVOJO-UHFFFAOYSA-N 326.418 0.969 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)NCC[C@H](O)C(C)C)CC2 160732651 JWEDUHUIRUWOGO-NEPJUHHUSA-N 325.413 0.446 70 20 ECID Cn1c(=O)[nH]c2ccc(C(=O)NCC3(CS(C)(=O)=O)CC3)cc21 160776372 ZMGNBBUINFLWCQ-UHFFFAOYSA-N 337.401 0.421 70 20 ECID O=C(NCCO)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 159451070 DYIWIKCBTDWWFL-AWEZNQCLSA-N 326.418 0.337 70 20 ECID C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1=O 1121094589 GTLNSCDWJXXYCZ-LLVKDONJSA-N 329.353 0.532 70 20 ECID CCNC(=O)N1CC[C@@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1 1336949343 NEBDRABPGUUXKL-LLVKDONJSA-N 343.380 0.878 70 20 ECID CN(C[C@@H]1CCC[C@@H]1O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 161348531 BHAOTTMYZIUVII-YUTCNCBUSA-N 335.408 0.328 70 20 ECID CNC(=O)CCCN(C)C(=O)Nc1cc(-n2cnnn2)ccc1C 160728657 IPYNXEHGQOPLBB-UHFFFAOYSA-N 331.380 0.961 70 20 ECID CCN(C(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1 159814613 FMCYIORDLBJZAP-AJNGGQMLSA-N 346.493 0.503 70 20 ECID CO[C@@H](C)CN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015716230 QBZVTWHHWUBUOU-VHSXEESVSA-N 333.385 0.512 70 20 ECID CC(=O)N(C)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 953680097 JRLLZFXJOIALPS-UHFFFAOYSA-N 331.369 0.756 70 20 ECID CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)F)c1 1336948868 BTOOOVKTFJSEJV-VXGBXAGGSA-N 328.365 0.989 70 20 ECID Cc1cc(S(=O)(=O)N(CCOCCO)CCN(C)C)ccc1F 161306150 VMMBLTMZGVJNTC-UHFFFAOYSA-N 348.440 0.695 70 20 ECID O=C(NCC(=O)N1CCN(Cc2ccccn2)CC1)c1cccnc1 160090784 ZOXKRKNSHNCOSO-UHFFFAOYSA-N 339.399 0.551 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2CCNC(=O)[C@@H]2C(C)C)c1CC 160338931 DCKGQAZVDBLLQQ-AWEZNQCLSA-N 349.435 0.561 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(-n2ccnn2)c1 160428071 UOBUMDHAFFQMQJ-MRXNPFEDSA-N 329.404 0.844 70 20 ECID CCCCCN(CCO)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 160627348 DEHXJSPSPBRIOL-CYBMUJFWSA-N 339.440 0.933 70 20 ECID C[C@@H](CNC(=O)N(C)CC1CCOCC1)CN1CCN(C)CC1 159746674 LJWUBYRPXSXFBY-HNNXBMFYSA-N 326.485 0.938 70 20 ECID O=C(NCCNCCC[C@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1133981719 ZMZZHRJTTZIPLU-NSHDSACASA-N 347.412 0.809 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 161028029 KOFFFKKWHPUTPJ-GWCFXTLKSA-N 328.796 0.972 70 20 ECID CCC(=O)N1CC[C@@H](C(=O)NC2CCN(CCCOC)CC2)C1 161453106 IKJCRCRCDPXVBS-CQSZACIVSA-N 325.453 0.862 70 20 ECID O=C(NC[C@H](O)CN1CCCCC1)c1cccc(-n2cccn2)n1 160541868 DYGWXDNDBLYICE-AWEZNQCLSA-N 329.404 0.844 70 20 ECID CC(C)c1nn(C)c(Cl)c1C(=O)NCCCNS(C)(=O)=O 159925672 WHWVEMUJFXGADP-UHFFFAOYSA-N 336.845 0.866 70 20 ECID CN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@@H]1CCC[C@@H]1O 159597094 QIIFTRKTAOSTEP-GJZGRUSLSA-N 349.431 0.657 70 20 ECID CS(=O)(=O)C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1 864241679 GPQQBJDBPYOAMY-SNVBAGLBSA-N 349.405 0.852 70 20 ECID C[C@H](O)CN1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]2C1 1049067627 NBJYDPFUNVIMQE-GARJFASQSA-N 345.396 0.058 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1NC(=O)C1CC1 966841747 MWPBTGUSFGKVCR-QPUJVOFHSA-N 343.380 0.660 70 20 ECID CC#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 971827346 RPOQTVOQYXIHER-NWDGAFQWSA-N 339.392 0.985 70 20 ECID N#CCN1C[C@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 978716869 HKVQFCXBYFKCTI-QWRGUYRKSA-N 326.353 0.104 70 20 ECID CC(C)C(=O)N1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 982462097 UUSLOXPOEAWVHQ-JTQLQIEISA-N 345.396 0.907 70 20 ECID C#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1095004224 CTGQYSCNOMWGIY-SRVKXCTJSA-N 339.392 0.889 70 20 ECID O=C(NCC1(C(=O)O)CCOCC1)c1ccc(S(=O)(=O)F)cc1 1594744083 HBNYASBTUOETQF-UHFFFAOYSA-N 345.348 0.956 70 20 ECID CCN(CC)S(=O)(=O)CC(=O)NC[C@@]1(O)CCc2ccccc21 159417540 PBRUKZJTYLAFPE-INIZCTEOSA-N 340.445 0.608 70 20 ECID C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)OCc1ccccc1 159644408 VKNKNQBTGKLDJK-OCCSQVGLSA-N 326.418 0.742 70 20 ECID CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CCCc2cc(N)ccc21 159462459 PPTPYHMACMGLRS-CYBMUJFWSA-N 332.447 0.610 70 20 ECID CC(C)C[C@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccon1 159382494 YRNRUTZBAAEMBE-NSHDSACASA-N 332.426 0.828 70 20 ECID CCN1CCC[C@H](NC(=O)c2cncc(OS(=O)(=O)F)c2)C1 2088589108 VVDPZMAZVDVZIN-NSHDSACASA-N 331.369 0.889 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(O)(C(F)F)CC1 1348034311 KHHXHIRVTIQQCF-UHFFFAOYSA-N 326.296 0.905 70 20 ECID C[C@@H]1CN(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)CO1 1347256708 ROPCZBDBZWEWTK-NXEZZACHSA-N 333.385 0.512 70 20 ECID O=C(NNC(=O)[C@H]1CCCCO1)c1cccc(S(=O)(=O)F)c1 1517975322 MPGOJGJFDLBLBZ-LLVKDONJSA-N 330.337 0.675 70 20 ECID COc1cc(C(=O)N2CCOC[C@H]2C(=O)O)ccc1S(=O)(=O)F 1594050841 OUSIIIKNEKGDCA-VIFPVBQESA-N 347.320 0.279 70 20 ECID CN(CC(C)(C)CNCCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1755286142 QUCHXIPHRJRADE-UHFFFAOYSA-N 335.401 0.353 70 20 ECID Cn1cc(CCC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cn1 160563658 JEVNQFLPHPQXPW-STQMWFEESA-N 328.438 0.187 70 20 ECID CC(=O)N1C[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1009903356 HROQUFHCLJSKJY-WCBMZHEXSA-N 331.369 0.660 70 20 ECID CC[C@H](F)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1012029448 CLNBEQNZUVJUEX-JTQLQIEISA-N 349.359 0.705 70 20 ECID COC(=O)[C@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCOC1 864242789 RAOKJPNYPHCNBJ-ZDUSSCGKSA-N 331.321 0.407 70 20 ECID COCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 947726853 TXKAFHKYMKIMNM-QWRGUYRKSA-N 347.412 0.902 70 20 ECID C[C@H](C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1)S(C)(=O)=O 876318123 MSXHYWGRAIMSKU-SSDOTTSWSA-N 341.357 0.997 70 20 ECID Cc1nc(C)c(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)o1 1133975918 DISUHPBWCKFTTI-UHFFFAOYSA-N 344.368 0.797 70 20 ECID C[C@H](O)CN(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 972360186 WNHIFZNCSVHVMN-VHSXEESVSA-N 333.385 0.200 70 20 ECID O=C(NC[C@@H]1CCN(C(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 982322241 HOSNBHUPBNLTIZ-VIFPVBQESA-N 343.380 0.661 70 20 ECID C[C@H](O)CNC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1091235951 GUPUMCTUYPBWHU-IDKOKCKLSA-N 333.385 0.152 70 20 ECID Cc1nc(N2CCN(C(=O)NCC(=O)N(C)C)CC2)sc1C 161259820 KVPAYMDPPPQGDA-UHFFFAOYSA-N 325.438 0.680 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 161297329 XXCYGSRQPLDNQE-IINYFYTJSA-N 328.315 0.971 70 20 ECID COC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccccc2)CC1 159578461 FKWJISRUCNBNNS-ZDUSSCGKSA-N 326.418 0.945 70 20 ECID C[C@@H](O)CN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1084668815 LACNXRIBAYXSCF-GIPNMCIBSA-N 345.396 0.200 70 20 ECID CCOC(=O)CCCNC(=O)CN1CCN(Cc2ccncc2)CC1 161169480 UOOHOCMGPKWXAP-UHFFFAOYSA-N 348.447 0.659 70 20 ECID COc1cccc(C(=O)N2CCN(Cc3nncn3C)CC2)c1OC 160874448 BKSOENTTYVGXNB-UHFFFAOYSA-N 345.403 0.790 70 20 ECID O=S(=O)(NC[C@@H](O)COc1ccc(F)cc1)N1CCCCC1 159959884 IXABHNXIFXOCJN-CYBMUJFWSA-N 332.397 0.886 70 20 ECID CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H]1CCS(=O)(=O)C1 864238271 HOHYSJNVNHMNDY-LLVKDONJSA-N 349.405 0.994 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1NC(=O)C1CC1 959672924 MWPBTGUSFGKVCR-PRHODGIISA-N 343.380 0.660 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC2(CCN(CCO)CC2)C1 1050670977 VBZJXKGPNYNIAC-UHFFFAOYSA-N 345.396 0.203 70 20 ECID O=C(N[C@H]1C[C@@H](NC(=O)C(F)F)C1)c1cc(S(=O)(=O)F)c[nH]1 973774026 IGCDVQAVNFGMON-OLQVQODUSA-N 339.295 0.315 70 20 ECID O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1288279023 AOTCCFRXVKCXOS-SECBINFHSA-N 329.353 0.414 70 20 ECID CCO[C@H]1CCCN(C(=O)N[C@H]2CCc3nc(COC)nn3C2)C1 160632659 GMTNIBWRCWYWDS-STQMWFEESA-N 337.424 0.950 70 20 ECID CCCN(CC(=O)NC)C(=O)CCc1c(C)nc2cc(O)nn2c1C 160808801 YFCJVGGOPDALES-UHFFFAOYSA-N 347.419 0.969 70 20 ECID O=C(CNC(=O)c1ccc(F)c(Cl)c1)NCCN1CCOCC1 159906855 FTVDGGJQCLLXEP-UHFFFAOYSA-N 343.786 0.657 70 20 ECID COCCN(C)S(=O)(=O)N1CCO[C@]2(CCc3ccccc32)C1 159776784 HOSSCAHZNYINBQ-MRXNPFEDSA-N 340.445 0.983 70 20 ECID CCCCn1c(N)c(N(CC)C(=O)[C@H]2CCCCO2)c(=O)[nH]c1=O 159797290 PLJJIXIMDSEXNU-LLVKDONJSA-N 338.408 0.841 70 20 ECID O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1ccc(S(=O)(=O)F)cc1 864242116 VTZINNNJXNHUIA-JTQLQIEISA-N 349.405 0.899 70 20 ECID C#CCCN1CCOC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051115997 GHJFXXAMAQQAGZ-NSHDSACASA-N 343.380 0.127 70 20 ECID CCC[C@H]1CN(C(=O)NCC(=O)N2CCCC2)CCN1CCOC 160098085 DIDQOEDQNJVDKP-HNNXBMFYSA-N 340.468 0.751 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@@H](CC(N)=O)C2)c1CC 160306792 FXZXPYFRAFOQGR-NSHDSACASA-N 349.435 0.692 70 20 ECID CS(=O)(=O)c1ccc(OCCCC(=O)N2CC[C@@H](N)C2)cc1 160318770 NEVZBBSRZKSLJV-GFCCVEGCSA-N 326.418 0.809 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N(C)C[C@H]1CCCCO1)CC2 160552483 GTXNDKJLMINSRW-CHWSQXEVSA-N 337.424 0.950 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1COc2ccccc21 160615699 RTTKASCHOANCGU-IACUBPJLSA-N 338.429 0.997 70 20 ECID O=C1NCCc2ccc(S(=O)(=O)NCC3(O)CCCCC3)cc21 159814582 JCYAOVPSKHNYPU-UHFFFAOYSA-N 338.429 0.946 70 20 ECID C[C@@H](O)CN1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1023590844 HTOYSETUWDPREN-MNOVXSKESA-N 347.412 0.496 70 20 ECID O=C(NC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1)C1CC1 948452676 DAXIBGSMQKOULM-UHFFFAOYSA-N 343.380 0.804 70 20 ECID O=C(N[C@@H]1[C@H]2C[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2)C1CC1 946503591 DHDWWJJZOLYWET-XXILOJSOSA-N 341.364 0.412 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOC[C@H]1c1ncon1 1263760458 DKSNCDPIGLCUIT-VIFPVBQESA-N 330.297 0.270 70 20 ECID CCN(C(=O)c1cccc(S(=O)(=O)F)c1)[C@H]1CCS(=O)(=O)C1 1354032031 OUVDOSWMLDPRDE-NSHDSACASA-N 349.405 0.994 70 20 ECID CN1CCN(CCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1527341275 OIHKLUGHDIMMBH-UHFFFAOYSA-N 346.428 0.430 70 20 ECID CNC[C@H]1CCCN1C(=O)CS(=O)(=O)NC1CCC(C)CC1 161378343 OPLOVXQLHWCWQK-JXQTWKCFSA-N 331.482 0.695 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1CC 160354164 ZMQNRGSHFSKWSU-GJZGRUSLSA-N 349.435 0.119 70 20 ECID CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](C(N)=O)C(C)C)c1 159868490 MKLANHKUFPZMKL-CQSZACIVSA-N 326.418 0.649 70 20 ECID C#CCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 1044746104 FTRZGJOBFMGNMI-WDEREUQCSA-N 327.381 0.889 70 20 ECID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C(=O)C2CC2)C1 1006902731 PBTIBOQKFRMOEX-MRVPVSSYSA-N 343.380 0.660 70 20 ECID C#CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 968334198 HNFQPGGHPGPNRJ-GWCFXTLKSA-N 327.381 0.746 70 20 ECID CC(=O)N(C)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 984665395 QJVLYRPQUBGSIW-SNVBAGLBSA-N 331.369 0.756 70 20 ECID CN(CCO)C1CCN(C(=O)NCc2cn3ccccc3n2)CC1 161300868 KBUXWHFIBFHVGO-UHFFFAOYSA-N 331.420 0.932 70 20 ECID COC[C@H](O)CCNC(=O)c1cc(Cl)ccc1-n1cnnn1 161453673 LQNMDQOXENNNRD-SNVBAGLBSA-N 325.756 0.443 70 20 ECID Cc1noc(COCC(=O)N(C)CC(C)(C)CN2CCOCC2)n1 160300866 CJYDOVKLNDZPDR-UHFFFAOYSA-N 340.424 0.711 70 20 ECID O=C(NCC1CCN(CCO)CC1)c1cnc2ccccn2c1=O 160708980 ALSOFCKHCJLQLU-UHFFFAOYSA-N 330.388 0.129 70 20 ECID COC1(C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)CCNCC1 160927715 DXKPZRXVDNFEAN-HNNXBMFYSA-N 331.416 0.985 70 20 ECID CCC(=O)NC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC1 1064571943 ZUYVSXDCDXLWPC-UHFFFAOYSA-N 331.369 0.852 70 20 ECID CC(=O)N1CC[C@@H](C)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1005282168 OUYWRTOOWZWABZ-PRHODGIISA-N 331.369 0.660 70 20 ECID CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 945827370 KOPVSJIJDYWXNS-MFKMUULPSA-N 343.380 0.756 70 20 ECID O=C1C(=O)N(c2ccc3c(c2)OCO3)C(=O)N1CCS(=O)(=O)F 883953328 QOIMFBXWWMUBJS-UHFFFAOYSA-N 344.276 0.010 70 20 ECID COCCN(CCC(=O)OC)C(=O)c1cccc(S(=O)(=O)F)c1 1336954434 PZWCRIWHHXRTFX-UHFFFAOYSA-N 347.364 0.997 70 20 ECID CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1527564393 ANTMTNWGWZWFQG-QMMMGPOBSA-N 340.398 0.568 70 20 ECID CCN(Cc1ccccn1)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 161198385 LLCFULHCWXRHCT-TZMCWYRMSA-N 325.434 0.595 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1CCN(CC3CC3)CC1)CC2 160585736 GPWREMVMHWGRDS-CQSZACIVSA-N 348.451 0.477 70 20 ECID COC[C@H](O)CNS(=O)(=O)Cc1ccc(Br)cc1 160901258 KJGMNZBMNZPSQI-LLVKDONJSA-N 338.223 0.876 70 20 ECID O=C1NCCC[C@H]1C(=O)NCCN1CCN(Cc2ccccc2)CC1 216631495 XSGOANQVTSROGX-QGZVFWFLSA-N 344.459 0.447 70 20 ECID O=C(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1cccnc1 1338250278 INNCVUHVOUYLEW-UHFFFAOYSA-N 326.309 0.436 70 20 ECID CC[C@](COC)(NC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)O 1595194378 RGNNVIRCIOVAFF-CYBMUJFWSA-N 333.337 0.954 70 20 ECID CC(C)c1ncc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)s1 161474446 HSAVRWIGKKWLLT-UHFFFAOYSA-N 349.420 0.238 70 20 ECID Cc1nn(C)c(C)c1C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 160259217 SKHRHZQYLLLCQQ-NWDGAFQWSA-N 328.438 0.485 70 20 ECID CC[C@](C)(O)CNS(=O)(=O)c1ccc(CCNC(C)=O)s1 160317592 UJDLNSFMULVETM-ZDUSSCGKSA-N 334.463 0.866 70 20 ECID CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2cccc(-c3ncn[nH]3)c2)C1 160320104 BXVNUUFDBHCDFF-CYBMUJFWSA-N 349.416 0.626 70 20 ECID N[C@@H]1CCC[C@H](NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)C1 160921963 COQIJKGGXZMCII-KGLIPLIRSA-N 330.388 0.738 70 20 ECID CCC(=O)NCC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC1 1062366737 IKNRLXQPKQWBCD-UHFFFAOYSA-N 331.369 0.852 70 20 ECID CC(C)CN1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035509437 DCIKVTMIZKAAMJ-NSHDSACASA-N 347.412 0.760 70 20 ECID C[C@H]1CN(CCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H](C)O1 1123468297 LRIKNQWOGNXYIV-QWRGUYRKSA-N 347.412 0.902 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]2CN(CCF)C[C@H]21 1076256309 UAJAZDKBAZGWLL-JOYOIKCWSA-N 333.360 0.789 70 20 ECID CN(C)Cc1cccc(NC(=O)C(=O)NCCNC(=O)C(C)(C)C)c1 159414726 NRUUWNFOPQPPRR-UHFFFAOYSA-N 348.447 0.965 70 20 ECID CN1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(F)c(F)c3)C[C@@H]21 159699827 VUFZMJJIGROHFW-KBPBESRZSA-N 339.342 0.236 70 20 ECID CN(C)c1ccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c(F)c1 159396620 VTGIOOMMLKGUGH-BMLIUANNSA-N 348.378 1.000 70 20 ECID CC(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 955825619 SGTOIVKRRCPYIO-SCZZXKLOSA-N 331.369 0.802 70 20 ECID CCN1CCCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)CC1=O 1337390126 AQDMFMLDEZNHCH-UHFFFAOYSA-N 342.392 0.968 70 20 ECID CO[C@@H](C)CNC/C=C/CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1754183824 QLQSHZHGOGUEDW-FSIBCCDJSA-N 333.385 0.583 70 20 ECID Cc1conc1NC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1 160290084 XUDJLIWFJWTFSC-UHFFFAOYSA-N 342.355 0.906 70 20 ECID CCC[C@@H](CCO)CNC(=O)N[C@H]1CCc2nc(COC)nn2C1 160569502 KCLCRJHEAGALNE-STQMWFEESA-N 339.440 0.837 70 20 ECID N[C@@H]1CCC[C@@H](NC(=O)c2nc3ncc(Br)cn3n2)C1 160857310 MDBPTWMILLENTG-RKDXNWHRSA-N 339.197 0.887 70 20 ECID Cc1ccnc(NCCN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1101955541 SBECBOSXTDIYMJ-UHFFFAOYSA-N 341.368 0.955 70 20 ECID O=S(=O)(Cc1ccccc1F)NCC1CCN(CCO)CC1 161395668 NHOBBUXBRSQMGZ-UHFFFAOYSA-N 330.425 0.949 70 20 ECID CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H](C(=O)OC)C1)CC2 160056511 CTLGQSIQSUGMIC-RYUDHWBXSA-N 335.408 0.750 70 20 ECID CCCN(C(=O)CN1CCNCC1=O)[C@@H]1C[C@@H](OCC)C1(C)C 160631942 WLKBNTFSVRIIFL-ZIAGYGMSSA-N 325.453 0.860 70 20 ECID CC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015581014 YYOGXGNTSUHELU-NXEZZACHSA-N 331.369 0.708 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2CC[C@@H](NCCO)[C@H]2C1 1026361427 UWTBWIPVUARYDX-ZMLRMANQSA-N 345.396 0.105 70 20 ECID Cc1nocc1CN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1030966011 GBOHMGINHXNJCT-UHFFFAOYSA-N 342.352 0.584 70 20 ECID CO[C@@H](C)CN1CC([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970423473 KGYYJFSXAHLGSZ-UWVGGRQHSA-N 347.412 0.758 70 20 ECID COCCN[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1228653505 FWCKSSPETWWYAT-VXGBXAGGSA-N 347.412 0.950 70 20 ECID C[C@H](CCCCNCCCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1175314894 CIPQRXIZMKONHA-LLVKDONJSA-N 349.428 0.934 70 20 ECID Cc1cc(C[C@H](C)NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n[nH]1 161384487 UIHNDJITPDTPOU-UKXMPADASA-N 342.399 0.572 70 20 ECID COCCC1(C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CC1 161459225 GIQQCUWMQUNZMR-UHFFFAOYSA-N 337.464 0.960 70 20 ECID CCCNC(=O)CN1CCC(NC(=O)N2CCO[C@@H](C)[C@H]2C)CC1 160121818 SCKJITDIRNBLII-KGLIPLIRSA-N 340.468 0.796 70 20 ECID CC(C)S(=O)(=O)CCCN1CCc2cc(S(N)(=O)=O)ccc21 160601032 SVISHWNSFAKNCB-UHFFFAOYSA-N 346.474 0.910 70 20 ECID C[C@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CCOCC1 159630310 MHZMZGMSDVAVJI-HNNXBMFYSA-N 337.464 0.816 70 20 ECID CC(=O)N1C[C@@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 1009514976 AQYBIJLLZOIZSU-GHMZBOCLSA-N 329.353 0.127 70 20 ECID CC1(C)OCC(NC(=O)c2cncc(OS(=O)(=O)F)c2)CO1 1887514041 BCDLJACZDBKTOE-UHFFFAOYSA-N 334.325 0.556 70 20 ECID COC[C@H](C)N1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033429690 KWNFQNXWNUSYER-WDEREUQCSA-N 347.412 0.854 70 20 ECID CC(C)N1CCCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1073769618 LQDZOICEYGRLFK-LLVKDONJSA-N 347.412 0.902 70 20 ECID Cc1cc(C)n(CC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)n1 160240038 RGOXYRXHELMUJU-QWHCGFSZSA-N 328.438 0.334 70 20 ECID CC[C@@H]1CCC[C@H]1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O 159525850 WRTRSBYKXQUZBE-PSASIEDQSA-N 344.209 0.994 70 20 ECID C[C@@H](O)CN1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808859 PHOVGKKICNMKOJ-ZJUUUORDSA-N 333.385 0.105 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C[C@@H](C)O)C1 970423309 JDPXOKMMYGAIJL-BDAKNGLRSA-N 333.385 0.104 70 20 ECID O=C(NCC1[C@@H]2CN(CC3CC3)C[C@@H]12)c1cc(S(=O)(=O)F)c[nH]1 978711094 ARQXVIBYFFHFDU-STQMWFEESA-N 341.408 0.991 70 20 ECID C[C@H](O)CN1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1076256170 NMWMORNDLSHPHU-OUJBWJOFSA-N 345.396 0.200 70 20 ECID C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085819646 DYDAKWCHICHPCY-LLVKDONJSA-N 327.381 0.843 70 20 ECID CC(C)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090576964 PIFPEIRMNNZLCG-CMPLNLGQSA-N 333.385 0.246 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)NCCNC(=O)C1CC1 1336972641 GIDIBTWHLQREBK-UHFFFAOYSA-N 328.365 0.909 70 20 ECID C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CC[C@@H](N)C1)C2=O 160286176 SGRQMGFAJIWSLU-PSTGCABASA-N 336.436 0.683 70 20 ECID CC(C)(CO)CCCNC(=O)CNS(=O)(=O)c1cccs1 160390961 MSCFUXDXGFUWMK-UHFFFAOYSA-N 334.463 0.941 70 20 ECID CNC(=O)Cn1cnc(NS(=O)(=O)Cc2cccc(F)c2)n1 160958472 VWFIZILMHTXROJ-UHFFFAOYSA-N 327.341 0.105 70 20 ECID COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 159374834 SYECPNPUXDNTNG-HRCADAONSA-N 332.400 0.331 70 20 ECID CC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015277845 YIGHUFBNADUCAJ-NXEZZACHSA-N 331.369 0.708 70 20 ECID C[C@H](O)CN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141756 POVMUOSHHFFUDE-UWVGGRQHSA-N 333.385 0.248 70 20 ECID O=C(NCCCNCc1ncccn1)c1cc(S(=O)(=O)F)c[nH]1 1166871426 DTCMIEHOCMHAJM-UHFFFAOYSA-N 341.368 0.373 70 20 ECID CCN1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2C)CC1=O 1338050933 GAJYEXNPOVNMHH-UHFFFAOYSA-N 328.365 0.958 70 20 ECID O=C(NCCCOC1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1338259674 FTKCMEFOYQAXDG-UHFFFAOYSA-N 334.369 0.988 70 20 ECID CN(C)[C@H]1CN(c2ccc(S(=O)(=O)F)cn2)C[C@H]1n1ccnn1 1550634900 RXWOGZQCWWLVPC-NWDGAFQWSA-N 340.384 0.323 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)COc1ccccc1 160537627 LBGHFFXWUVMWJG-TZMCWYRMSA-N 326.418 0.900 70 20 ECID CN[C@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)C1 160738379 DBEVXAYRUQZDMR-ZDUSSCGKSA-N 325.434 0.348 70 20 ECID C[C@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 968336843 XWJDIVAASMUKOF-CABZTGNLSA-N 328.369 0.637 70 20 ECID O=C(NC1CN(C(=O)[C@@H]2CC23CC3)C1)c1cc(S(=O)(=O)F)c[nH]1 999956667 QLCQCLIBXFFEAW-JTQLQIEISA-N 341.364 0.414 70 20 ECID CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCC[C@H](N)C2)cc1 161366800 CDKKEWFWVHWLJQ-KBPBESRZSA-N 339.461 0.913 70 20 ECID CCS(=O)(=O)NCc1ccc(C(=O)NC[C@H](C)CCO)cc1 160959800 YVRLLANWXRTVTL-GFCCVEGCSA-N 328.434 0.874 70 20 ECID CCN(C(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 159814497 FMCYIORDLBJZAP-XQLPTFJDSA-N 346.493 0.503 70 20 ECID C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1 894454550 RBDLGWSAQRICLM-KCJUWKMLSA-N 335.378 0.508 70 20 ECID Cc1nn(C)cc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133977067 YAVAHCHTRHNISY-UHFFFAOYSA-N 343.384 0.234 70 20 ECID C[C@@H](O)CN[C@H]1C[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1086201060 GUPUMCTUYPBWHU-BBBLOLIVSA-N 333.385 0.152 70 20 ECID CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)CCO)c1 161024374 RHYDGZOKRWZNSK-SECBINFHSA-N 334.825 0.996 70 20 ECID O=C(CNC(=O)c1cccs1)NC[C@@H](O)CN1CCCCC1 160054866 VSUAGYXDANLWNA-GFCCVEGCSA-N 325.434 0.441 70 20 ECID CCN(CC)C(=O)c1ccc(CNC(=O)C2(NC(N)=O)CC2)cc1 160230517 WWWGIFWGSSWTHG-UHFFFAOYSA-N 332.404 0.986 70 20 ECID Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CC[C@@H](N)C3)cc12 160323686 MKAQADZIXWSWRV-NXEZZACHSA-N 335.433 0.621 70 20 ECID C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1 160430046 VLUYEWAKYBKAPX-GOEBONIOSA-N 333.432 0.768 70 20 ECID O=C(NNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC1CCCCC1 1346209845 UZOJCRFGGUDVQT-UHFFFAOYSA-N 332.357 0.950 70 20 ECID CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](CO)CC(C)C)ccc21 160786937 JSPJOEQTJCDBGT-LBPRGKRZSA-N 333.388 0.847 70 20 ECID COC[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 159509756 QENGGZLMDUXFHA-GWCFXTLKSA-N 326.780 0.816 70 20 ECID CC(=O)N1CC[C@@]2(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CCC[C@H]12 1014456774 IHFHGKOQITUWFD-JSGCOSHPSA-N 343.380 0.946 70 20 ECID O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1CCS(=O)(=O)F 916623050 ZGOMRHUCMSRKLY-CQSZACIVSA-N 326.349 0.765 70 20 ECID C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 951612289 RDQONBHWGKWHCE-QXEWZRGKSA-N 343.380 0.660 70 20 ECID COCC(=O)N[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1071357792 OWCSCUOAQSCLME-SECBINFHSA-N 347.368 0.040 70 20 ECID CN1CC[C@@H](NS(=O)(=O)Cc2cc(-c3ccccc3)no2)C1=O 160470224 SNFJFYBLXSRAPT-CYBMUJFWSA-N 335.385 0.992 70 20 ECID C[C@H](CO)CNC(=O)CC1(CC(=O)NC[C@H](C)CO)CCCC1 160530345 SDBBZKFEKMWOOV-KBPBESRZSA-N 328.453 0.816 70 20 ECID COC(=O)[C@@H](C)c1c(C)nn(Cc2nc(N)nc(N(C)C)n2)c1C 159361621 FDBUTFGPFCOBAL-QMMMGPOBSA-N 333.396 0.658 70 20 ECID C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1C(=O)C1CC1 1012133692 VHISDPDPQOEZEB-PSASIEDQSA-N 343.380 0.802 70 20 ECID C[C@H](CNc1nccnc1F)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1108114794 MKVSQGOWZQLGNC-SSDOTTSWSA-N 345.331 0.832 70 20 ECID C[C@@H]1C[C@@H](NCCO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1044745847 DYMGNVYVLOQTRA-ZJUUUORDSA-N 333.385 0.248 70 20 ECID O=C(NC1[C@@H]2CN(CCCF)C[C@@H]12)c1cc(S(=O)(=O)F)c[nH]1 961790993 RBKMNYSJWOOIHU-NXEZZACHSA-N 333.360 0.693 70 20 ECID COC(=O)[C@@H](O)CNC(=O)COc1cccc(Br)c1 217733007 CQXXLHMHDNRSPV-JTQLQIEISA-N 332.150 0.478 70 20 ECID CN(C)C(=O)CN1CCCN(C(=O)c2cnc3c(c2)ncn3C)CC1 160098776 ADNYQXRYBPJUQO-UHFFFAOYSA-N 344.419 0.204 70 20 ECID CN1CCN(C(=O)C(=O)Nc2cccnc2-c2ccccc2)CC1=O 160962103 YMUGHLWXEGVFDZ-UHFFFAOYSA-N 338.367 0.988 70 20 ECID C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCS(=O)(=O)F)C1=O 916622800 LYCMFOJHMORQDB-GFCCVEGCSA-N 345.308 0.661 70 20 ECID CC[C@H](C)C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004490632 XOVACZAJXOBDLI-VIFPVBQESA-N 345.396 0.907 70 20 ECID CC[C@@H](CN1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)OC 1031983564 DCYWIZUJKTYXFO-NSHDSACASA-N 347.412 0.760 70 20 ECID CC(=O)N1CCCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 943538941 CTEZPOGAAJHYFY-SNVBAGLBSA-N 331.369 0.804 70 20 ECID CC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 952803134 OGUMVMNGAABDGE-QWRGUYRKSA-N 343.380 0.898 70 20 ECID O=C(NCCNC[C@H]1C[C@H]2CC[C@H]1O2)c1cc(S(=O)(=O)F)c[nH]1 1133981624 WDAXRZHSIYKSJD-GIPNMCIBSA-N 345.396 0.560 70 20 ECID C[C@@H](O)CN(C)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 985652120 AJHIOOXFPDYXBP-SNVBAGLBSA-N 347.412 0.590 70 20 ECID NC(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCOCC1 1336962193 TVYBATMSAWGBQY-JTQLQIEISA-N 347.368 0.073 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H]1C(=O)NCC[C@@H]1C 1337437856 PAOAQBVVPQWLIK-QPUJVOFHSA-N 328.365 0.908 70 20 ECID Cn1ccnc1-c1cccc(NC(=O)N2CCN(C(=O)CO)CC2)c1 160559590 UQRLXDWCOBYZEN-UHFFFAOYSA-N 343.387 0.756 70 20 ECID COC(=O)CCNC(=O)COC(=O)c1ccc(S(=O)(=O)F)cc1 838087921 LBXVYYYZNXMVOB-UHFFFAOYSA-N 347.320 0.181 70 20 ECID O=C(NCCNCc1ccc(F)cn1)c1cc(S(=O)(=O)F)c[nH]1 1133977216 YXVLWYFLLPVOID-UHFFFAOYSA-N 344.343 0.727 70 20 ECID O=C(N[C@H]1[C@@H]2CN(CC3CC3)C[C@@H]21)c1cc(S(=O)(=O)F)c[nH]1 961789142 MHOONCLBKNKJNB-PJXYFTJBSA-N 327.381 0.743 70 20 ECID CC(=O)N[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 964650048 MEDZEBDWVYBGMN-JTQLQIEISA-N 331.369 0.804 70 20 ECID CCC[C@@H](NC(N)=O)C(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 160354263 GZCNZURHFCWGAE-RBSFLKMASA-N 340.468 0.708 70 20 ECID C/C=C(\C)C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004490634 XRXLMCDYLYTWLZ-YCRREMRBSA-N 343.380 0.827 70 20 ECID C[C@H](O)CN1CCC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1072989894 PKQSZHWQLGGNDF-JTQLQIEISA-N 345.396 0.202 70 20 ECID CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1077689994 QDJJKJGDTXULCH-VXGBXAGGSA-N 333.385 0.248 70 20 ECID Cc1c(C(=O)N2C[C@@H](C)OC[C@H]2C)cnc2c1c(=O)n(C)c(=O)n2C 161132159 XMXOFFIKWPZILX-NXEZZACHSA-N 346.387 0.190 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2CCc3[nH]ncc3C2)c1CC 160006718 CUGBFUVDNUVFEI-NSHDSACASA-N 344.419 0.975 70 20 ECID CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N)C2)cc1 160268138 GRPJMENIEBBXBZ-CYBMUJFWSA-N 325.434 0.794 70 20 ECID Cn1ncc(C(=O)NC[C@@H](O)CN2CCCCC2)c1-n1cccc1 160497634 DOPJWULDDOIJRR-CQSZACIVSA-N 331.420 0.787 70 20 ECID CN(Cc1cccn1C)C(=O)CN(C)S(=O)(=O)c1cccnc1 160966387 QEMPQIOGLFVEBC-UHFFFAOYSA-N 336.417 0.699 70 20 ECID C[C@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1000759853 CYFCOAJEVCNYEF-GZMMTYOYSA-N 343.380 0.517 70 20 ECID CCOCCN1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1114849126 KXPWGPDKCPZEKD-GHMZBOCLSA-N 345.396 0.369 70 20 ECID Cc1nccc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1094126238 FEWJYHCDRFOFPZ-UHFFFAOYSA-N 327.341 0.613 70 20 ECID CCOC(=O)[C@H](F)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1348406197 QAYLKBDWIZHMRF-SNVBAGLBSA-N 336.316 0.646 70 20 ECID CN1CC[C@H](NS(=O)(=O)c2c(Cl)nc3sccn23)C1=O 217752972 BTWMQQOSYOTOAQ-LURJTMIESA-N 334.810 0.558 70 20 ECID CCN(CC)C(=O)CNC(=O)Cc1ccc(S(=O)(=O)F)cc1 1518365400 MEOFXAUXCWTXOV-UHFFFAOYSA-N 330.381 0.872 70 20 ECID O=C(NC[C@]1(C(=O)O)CCOC1)c1ccc(S(=O)(=O)F)cc1 1601473423 UHVUWVOKHZEYSC-CYBMUJFWSA-N 331.321 0.566 70 20 ECID CC(C)(C(=O)O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1589627963 XLIIPXFYMBQFRH-UHFFFAOYSA-N 347.368 0.294 70 20 ECID CC1CCN(C2CCC(NC(=O)Cn3ccc(=O)[nH]c3=O)CC2)CC1 161497151 QZKMVCODLUVBHN-UHFFFAOYSA-N 348.447 0.696 70 20 ECID COc1ccc(C(=O)NCc2c(C)nc3cc(=O)[nH]n3c2C)nn1 160305740 AOYMFWNKMYWOTP-UHFFFAOYSA-N 328.332 0.368 70 20 ECID CC(C)S(=O)(=O)CCCN1CCN(C(=O)[C@@H]2CCCO2)CC1 160529311 PJIJGKGQTHSWKN-AWEZNQCLSA-N 332.466 0.523 70 20 ECID CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 160578181 AQNPWDDLBJTLER-QNMSZWNNSA-N 342.461 0.922 70 20 ECID CCN(C(=O)CN(C)C[C@@H]1CCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1 159655174 MPQICSQNTNELED-IHRRRGAJSA-N 332.466 0.115 70 20 ECID Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(CC(N)=O)CC(C)C 159738035 SRTIMZTXWXFNJI-UHFFFAOYSA-N 347.423 0.226 70 20 ECID CSC[C@@](C)(O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 217660045 GALDQDYUUXZDRL-LBPRGKRZSA-N 336.435 0.374 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]2[C@H]1CCN2CCO 1049726308 CXWSUBYWUFERFA-CHWSQXEVSA-N 345.396 0.344 70 20 ECID O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc(S(=O)(=O)F)c[nH]1 1347082448 HVZOAQNKTCKMED-NSHDSACASA-N 345.396 0.656 70 20 ECID Cn1cc([C@@H]2CN(c3ccc(S(=O)(=O)F)cn3)C[C@@H]2CO)cn1 1551211140 ZJFNIKWXJNHFQL-YPMHNXCESA-N 340.380 0.686 70 20 ECID CCS(=O)(=O)CCNC(=O)N1CCCN(CC(F)F)CC1 161070748 LTQYMRUVKONGCH-UHFFFAOYSA-N 327.397 0.404 70 20 ECID CCC(N)(CC)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 160558887 OPSSRAATLWTVQB-HIFRSBDPSA-N 335.452 0.963 70 20 ECID Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Cn2ccnn2)CC1 159458716 CBKMHHSWFZVIDH-UHFFFAOYSA-N 338.437 0.729 70 20 ECID CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 159762502 ZRLTYEYUWIFZNR-GFCCVEGCSA-N 327.743 0.837 70 20 ECID CC(=O)N(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(S(=O)(=O)F)C1 1887579189 QVQXKYPLQFWUSH-LLVKDONJSA-N 345.400 0.330 70 20 ECID CC(C)[C@@H](OC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)NC(N)=O 838087904 KYSINFFWQFVJDO-SNVBAGLBSA-N 346.336 0.721 70 20 ECID CC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C 1007754176 RDJFTEYKDXKOFT-LLVKDONJSA-N 331.369 0.660 70 20 ECID O=C(N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CC1 939024442 QBDYTOIBQCYBAY-SECBINFHSA-N 329.353 0.414 70 20 ECID O=C(NCCNc1cc(F)ncn1)c1cc(S(=O)(=O)F)c[nH]1 1094126601 PDXRGFYJYGDUMH-UHFFFAOYSA-N 331.304 0.444 70 20 ECID CC[C@@](COC)(NC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)O 1595194379 RGNNVIRCIOVAFF-ZDUSSCGKSA-N 333.337 0.954 70 20 ECID CCN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1cnn(C)c1 161108183 IHWASCKEXNQBGK-UHFFFAOYSA-N 338.433 0.968 70 20 ECID CN(C[C@H]1CCC[C@@H]1O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 161348765 BHAOTTMYZIUVII-BNOWGMLFSA-N 335.408 0.328 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N(C)CCN1CCCC1)CC2 160966505 NRDBEYUYRFGVJT-ZDUSSCGKSA-N 336.440 0.477 70 20 ECID Cc1ccc(C(=O)NCC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cc1C 159661550 TUINYUZQMWOWDY-HZPDHXFCSA-N 331.416 0.575 70 20 ECID Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1 159689810 XUIRDRNLEHPCCM-HOTGVXAUSA-N 331.416 0.575 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](NC[C@H]2CCOC2)C1 1019397203 OKQWLWLNPYMPLG-MNOVXSKESA-N 345.396 0.514 70 20 ECID COC[C@@H](C)N1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961789253 MNBAYUYDEHCYAP-GOONRYMUSA-N 345.396 0.368 70 20 ECID O=C(NCCCNC[C@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1166879733 PGJUFGVIRNUAAB-SNVBAGLBSA-N 333.385 0.419 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(c2cnccn2)CC1 1348384096 DNCVQELEGOJNKO-UHFFFAOYSA-N 339.352 0.425 70 20 ECID CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346929509 QEESXGGWQOFAOD-MRVPVSSYSA-N 338.382 0.322 70 20 ECID Cn1cc(Br)cc1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 161130180 JQEPDBQQJGRXGG-WPRPVWTQSA-N 330.182 0.550 70 20 ECID CCN1CCN(CCCCNC(=O)N2CCC[C@@](C)(O)C2)CC1 160359202 UWCOKIABEDERJC-QGZVFWFLSA-N 326.485 0.961 70 20 ECID CCc1cc(O)nc(CN2CCN(CC(=O)N[C@H](C)CC)CC2)n1 160751977 QLMPOZNYLMZBPO-CYBMUJFWSA-N 335.452 0.777 70 20 ECID CC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 983395116 LYBOFFLTKOVOMN-VHSXEESVSA-N 331.369 0.850 70 20 ECID N#CCNCC1(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1167258355 ZSKJRYFGAVPFKC-UHFFFAOYSA-N 328.369 0.686 70 20 ECID O=C(NC[C@H]1COC2(CCOCC2)O1)c1cc(S(=O)(=O)F)c[nH]1 1336961283 IHTLIZBJMVMRCQ-VIFPVBQESA-N 348.352 0.325 70 20 ECID O=C(N[C@@H](CCO)C1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1348035980 UTSHUJOUTGTMJZ-NSHDSACASA-N 334.369 0.580 70 20 ECID CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1 864239271 FUNPVWXMPPZJAO-SECBINFHSA-N 337.394 0.898 70 20 ECID CC(=O)N1CC[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 953225962 SUJFASYLARFKLE-GXFFZTMASA-N 343.380 0.756 70 20 ECID COC[C@@H](C)NC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1202531483 HNRCVGBEWAJWFS-SNVBAGLBSA-N 347.412 0.902 70 20 ECID NS(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1 1346209985 XLBCMTPPXVSTGL-UHFFFAOYSA-N 347.349 0.573 70 20 ECID N#CCN1[C@H]2CCC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1039921369 QFCRMSUPPDVYCF-QWRGUYRKSA-N 340.380 0.875 70 20 ECID O=C(NCCNCC[C@@H]1CCCCO1)c1cc(S(=O)(=O)F)c[nH]1 1133976566 POTLKQHBLOHIOX-NSHDSACASA-N 347.412 0.952 70 20 ECID CCn1ccc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1133981720 ZNESPWQLPAGBPL-UHFFFAOYSA-N 343.384 0.409 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](CN2CCOCC2)C1 1346290115 BIONMDWGZKHIBU-LLVKDONJSA-N 345.396 0.467 70 20 ECID CC[C@H]1CCC[C@@H]1NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 159593766 AHMRYYRGVOMGAS-RYUDHWBXSA-N 328.438 0.702 70 20 ECID CCCC(=O)N(CCO)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1056803495 OJJZHDGZBQLKLT-UHFFFAOYSA-N 349.384 0.024 70 20 ECID C[C@@H](O)CN[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1000236114 NYXNMXLRYUUEFS-ZJUUUORDSA-N 333.385 0.248 70 20 ECID Cn1ncc(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)n1 865211431 RXWJSHFJTVBYFG-UHFFFAOYSA-N 326.353 0.836 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1C(=O)NCC[C@@H]1C 1337437857 PAOAQBVVPQWLIK-UFBFGSQYSA-N 328.365 0.908 70 20 ECID COC(=O)c1occc1CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 159385244 WYQTVINHKJRUBW-CQSZACIVSA-N 335.404 0.980 70 20 ECID CC(C)CN1CCN(C(=O)c2cnccn2)[C@@H]2CS(=O)(=O)C[C@@H]21 216943022 GFIBUGVLCGXAGM-UONOGXRCSA-N 338.433 0.056 70 20 ECID Cc1cccc(CN2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)c1 216867886 SCARHUHAZPGYEQ-AWEZNQCLSA-N 330.388 0.237 70 20 ECID C=CCN1CCOC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051117340 YZBFRSVZPVXZED-JTQLQIEISA-N 331.369 0.290 70 20 ECID O=C(C=C1CCC1)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 990786186 LMZDZWYUMSLVCP-UHFFFAOYSA-N 341.364 0.724 70 20 ECID COc1cccc(CS(=O)(=O)NCC2CCN(CCO)CC2)c1 161405295 LRHQCWGIGAXFMS-UHFFFAOYSA-N 342.461 0.819 70 20 ECID Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)[nH]n1 159685919 AOEBCIAECWBXQY-CABCVRRESA-N 344.419 0.582 70 20 ECID CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 274596339 JEFGOBSBVSEHNK-MRVPVSSYSA-N 338.382 0.700 70 20 ECID O=C(NCC1CN(C(=O)CC2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1004490625 XEVNQWCWGKDPQM-UHFFFAOYSA-N 343.380 0.661 70 20 ECID O=C(NC[C@@H]1CCN1C(=O)C(F)F)c1cc(S(=O)(=O)F)c[nH]1 952163716 CARQZASBFAULEE-LURJTMIESA-N 339.295 0.269 70 20 ECID CCNC(=O)CN(CC)C(=O)Cc1ccc(S(=O)(=O)F)cc1 1120851245 RSYCBOZYYTUNSX-UHFFFAOYSA-N 330.381 0.872 70 20 ECID CC[C@@H](C)CN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1083786324 TZGJBJQLRABBPN-WQAKAFBOSA-N 347.412 0.494 70 20 ECID C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 993818397 FOVOKPKPXPYYAL-CMPLNLGQSA-N 327.381 0.889 70 20 ECID O=C(NCCNc1cncc(Cl)n1)c1cc(S(=O)(=O)F)c[nH]1 1094126872 XYFITELUWROZKO-UHFFFAOYSA-N 347.759 0.958 70 20 ECID C#CCNC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1185167663 DDKFPOMTVGRFAI-NEPJUHHUSA-N 341.408 0.994 70 20 ECID COCCCS(=O)(=O)NCC(=O)N[C@@H]1CCCc2occc21 161499679 CBGDTYNZBDKJLQ-GFCCVEGCSA-N 330.406 0.729 70 20 ECID CCS(=O)(=O)NCCCNC(=O)c1cnc2c(c1)ncn2C 159757577 IAHVXXXIDPKECD-UHFFFAOYSA-N 325.394 0.028 70 20 ECID CCC(=O)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1053463362 YWTZINAWBYWEOA-NXEZZACHSA-N 345.396 0.907 70 20 ECID CC(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1003015839 QQZCVNQVCJMTRW-SNVBAGLBSA-N 331.369 0.756 70 20 ECID COCCN1CCC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1001837398 YDMKGNZGIAAMKE-UHFFFAOYSA-N 347.412 0.761 70 20 ECID CO[C@H](C)CN1CC[C@@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046627704 HZGYAPRHZFTNFB-QMTHXVAHSA-N 347.412 0.902 70 20 ECID O=C(NCCNC[C@@H]1C[C@@]12CCOC2)c1cc(S(=O)(=O)F)c[nH]1 1133981573 UHYUTHILRQNPAE-IINYFYTJSA-N 345.396 0.419 70 20 ECID O=C(N[C@@H]1C[C@H](NCCO)C12CCC2)c1cc(S(=O)(=O)F)c[nH]1 1078728192 DVJFZIXSXOQXBD-NWDGAFQWSA-N 345.396 0.296 70 20 ECID CC(C)(C)OC(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1263717014 UQRRCKGTXFPLME-UHFFFAOYSA-N 335.357 0.927 70 20 ECID CCCC1(CNC(=O)CCc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)CC1 160805528 HMKCHIQGMZRPGV-UHFFFAOYSA-N 333.392 0.579 70 20 ECID CCCCn1ncc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c1C 159893558 OHRPMFNIOYPQDD-QGZVFWFLSA-N 338.452 0.805 70 20 ECID O=C(N[C@H]1C[C@H](NCc2cnon2)C1)c1cc(S(=O)(=O)F)c[nH]1 1020599255 RDCZDGMVWRTRNP-ZKCHVHJHSA-N 343.340 0.107 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2[C@@H](CC[C@H]2NCCO)C1 1026361425 UWTBWIPVUARYDX-MVWJERBFSA-N 345.396 0.105 70 20 ECID CCN1CCC[C@@H]1CNC(=O)c1coc(S(=O)(=O)N(C)C)c1 160331104 MESLUBUHVBXBPQ-GFCCVEGCSA-N 329.422 0.744 70 20 ECID C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)C[C@@H]1CCC[C@@H]1O 159609317 GZBFTUHPXXKZNU-JYJNAYRXSA-N 347.463 0.607 70 20 ECID O=C(NCC1(NC(=O)C2CC2)CCC1)c1cc(S(=O)(=O)F)c[nH]1 1064571595 PFRXHMOAVDDNJU-UHFFFAOYSA-N 343.380 0.852 70 20 ECID COC[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 2088595004 LKNDYEXQJOHOBD-WDEREUQCSA-N 348.352 0.893 70 20 ECID CC[C@@H](F)C(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164286 QJIMGKRSMPPVGN-WCBMZHEXSA-N 349.359 0.752 70 20 ECID C[C@@H]1CC[C@H](CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1133976984 WUMLKTDGZSADOH-NXEZZACHSA-N 333.385 0.560 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@H](c2ncon2)C1 1521204958 BLBWECSDAZJHKH-VIFPVBQESA-N 330.297 0.270 70 20 ECID Cc1ccc(C(=O)CCN2CCN(CCS(N)(=O)=O)CC2)cc1 160629607 FXWSWJCPELRMOC-UHFFFAOYSA-N 339.461 0.474 70 20 ECID O=C(CN1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1)NC1CC1 160694929 XHFKNBDRPZVBNF-INIZCTEOSA-N 349.479 0.077 70 20 ECID COCC(=O)N(C)CC(=O)N1CCN(c2ccc(Cl)cn2)CC1 160782284 RPZXDGRXQKZYCR-UHFFFAOYSA-N 340.811 0.488 70 20 ECID CCc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cnn1CC(C)C 160919886 PPYWBIVCNVZSDS-UHFFFAOYSA-N 342.465 0.819 70 20 ECID O=C(NCC1=CCN(CCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1001156449 LIXJCCPNTWGGDD-UHFFFAOYSA-N 331.369 0.027 70 20 ECID CC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 946316763 IEMZWHASEPVQCI-MWLCHTKSSA-N 331.369 0.708 70 20 ECID CC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 979548097 HHMCARATSBJWTD-ZMLRMANQSA-N 343.380 0.660 70 20 ECID O=C(NCCCNCc1cccnc1)c1cc(S(=O)(=O)F)c[nH]1 1166871886 VYULLUUDLPXPOO-UHFFFAOYSA-N 340.380 0.978 70 20 ECID O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(S(=O)(=O)F)c[nH]1 1346381213 LKDUYOPMENQZMY-UWVGGRQHSA-N 331.369 0.266 70 20 ECID CCN(C)C(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)C 1520007548 TXUIQKNTIRVYFV-NSHDSACASA-N 333.385 0.906 70 20 ECID C[C@@H]1NC(=O)N(CCOC(=O)c2ccc(S(=O)(=O)F)cc2)C1=O 490537820 VNZYNBVMBPKNRC-QMMMGPOBSA-N 344.320 0.442 70 20 ECID COCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1037584203 FRWLEXSEICMVQV-ZHAHWJHGSA-N 331.369 0.122 70 20 ECID C[C@H](O)CN1CCCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1034404406 RJGUJAOVKWVISO-QWRGUYRKSA-N 347.412 0.638 70 20 ECID COCC(=O)N1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 955854336 PWLCOGIRAKPDON-VIFPVBQESA-N 347.368 0.040 70 20 ECID C[C@H]1C[C@@H](NCC#N)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1044746367 HKTBFEFMFZFZAU-UWVGGRQHSA-N 328.369 0.779 70 20 ECID NC(=O)CCC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1123648150 HJLOGFOJGSDULS-UHFFFAOYSA-N 331.369 0.791 70 20 ECID CCN(C)S(=O)(=O)c1c(C)nn(CCS(=O)(=O)F)c1C 883953189 LBSRKYMOMKNTAS-UHFFFAOYSA-N 327.403 0.440 70 20 ECID CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 979945339 SFZRSSWVPXCICJ-ADEWGFFLSA-N 343.380 0.660 70 20 ECID CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 995562885 YRDBEQOGPQZCBT-QRTLGDNMSA-N 343.380 0.945 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H]2CCN(CCO)[C@@H]2C1 1042238393 SNHLWCQIPMIKLD-GXFFZTMASA-N 345.396 0.202 70 20 ECID COC[C@](C)(NC(=O)c1cccc(S(=O)(=O)F)c1)C(=O)OC 1120944421 MNBITGPCMABYSQ-ZDUSSCGKSA-N 333.337 0.653 70 20 ECID COCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 968336040 QWTMVAJUWXUGDB-ZWNOBZJWSA-N 347.412 0.760 70 20 ECID CCC(=O)N[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 966847510 PGRZIVWDSWIKRX-KWQFWETISA-N 331.369 0.660 70 20 ECID O=C1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@H]2N1 1521707471 ADHJGGPKFYLACT-PSASIEDQSA-N 329.353 0.414 70 20 ECID C=CCCN(C)C[C@H](O)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1755805916 UOKROWFAOBYXNO-NSHDSACASA-N 347.412 0.614 70 20 ECID CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](C)CCO)c1 161082153 RUWAPIVEZFCUBH-JTQLQIEISA-N 332.397 0.872 70 20 ECID CCCN(CC1CC1)S(=O)(=O)NCC1CCN(CCO)CC1 161405717 MAEJHXXYXXRRHQ-UHFFFAOYSA-N 333.498 0.647 70 20 ECID O=C(NCCN1CCOCC1)NCc1cccnc1OCC(F)F 160688592 ZLTIGHXYTRXYAE-UHFFFAOYSA-N 344.362 0.857 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](CO)c1ccccc1)CC2 160711695 YNBCPVQIUJWPMT-UONOGXRCSA-N 345.403 0.772 70 20 ECID Cc1conc1NC(=O)C(=O)NCCC(=O)NCc1ccccc1 160914416 LVRVQECPLARNAN-UHFFFAOYSA-N 330.344 0.744 70 20 ECID Cn1nccc1CNC(=O)NCCS(=O)(=O)c1ccc(F)cc1 159764737 IYOAXKXHMUWQMX-UHFFFAOYSA-N 340.380 0.832 70 20 ECID O=C(NC1CN(Cc2ccns2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030971992 GCDFHWINJSAKFD-UHFFFAOYSA-N 344.393 0.744 70 20 ECID CC(=O)N1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@@H]21 946046148 HOQVIMNFPCXECP-MFKMUULPSA-N 343.380 0.756 70 20 ECID CC(=O)NCC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1060414240 KAJJKZRHJDCNPH-SNVBAGLBSA-N 331.369 0.661 70 20 ECID COC[C@@H](C)N1CC([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970437148 OMNDJVHMYVRKBQ-NXEZZACHSA-N 347.412 0.758 70 20 ECID O=C(N[C@@]12CCC[C@@H]1N(CCO)CC2)c1cc(S(=O)(=O)F)c[nH]1 992191696 RONIQWXULGXXPZ-GXTWGEPZSA-N 345.396 0.392 70 20 ECID COC[C@@H](O)CCNC(=O)CCn1cnc2c(C)cccc2c1=O 161082279 XICJOYGLAFBUSQ-ZDUSSCGKSA-N 333.388 0.609 70 20 ECID CC(C)[C@@H](CCO)NC(=O)CN(C)S(=O)(=O)c1ccccc1 160500252 LPPIDAMOQOLVIW-CQSZACIVSA-N 328.434 0.830 70 20 ECID CN(CCc1nccs1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 159658801 ATJGHDNRVMFQQB-UHFFFAOYSA-N 328.419 0.444 70 20 ECID C[C@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1C(=O)C1CC1 1011357309 DQLLKRJWTGJYGT-KWQFWETISA-N 343.380 0.802 70 20 ECID C[C@@H](O)CN1[C@H]2CC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1029478277 HYFOUFOVFNGBOL-VWYCJHECSA-N 345.396 0.343 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCN(CCOC)C1 1033953387 LSUHZWYTSLITFF-NSHDSACASA-N 347.412 0.856 70 20 ECID COCCN1C[C@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 978717928 JVGCAUAQPXZSGL-RYUDHWBXSA-N 345.396 0.227 70 20 ECID CC(C)C(=O)N[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1078505934 DKSLQFGWWDXIOX-VIFPVBQESA-N 333.385 0.954 70 20 ECID C#CCN1CCCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1073769529 JGSNLJFXPLFYFA-NSHDSACASA-N 343.380 0.127 70 20 ECID CC#CCN1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 981978207 VJLYOOQIPBLIPH-UHFFFAOYSA-N 327.381 0.844 70 20 ECID O=C(N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12)c1cc(S(=O)(=O)F)c[nH]1 1601578279 KRCPTYUGVPLOGW-KDDQHCCQSA-N 330.337 0.902 70 20 ECID CN(C)S(=O)(=O)N(C)CCN1CCN(c2ccccc2)CC1 160355317 IFUQJBYCSXKOEY-UHFFFAOYSA-N 326.466 0.547 70 20 ECID O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCN(Cc2ccccn2)CC1 160604025 WRMVOCJQLKECGX-HNNXBMFYSA-N 343.431 0.672 70 20 ECID COCCN(C)S(=O)(=O)Nc1cccc(S(=O)(=O)F)c1 490538230 YXKBIMOANLVBOI-UHFFFAOYSA-N 326.371 0.580 70 20 ECID CC(=O)NCC1[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]12 1008659473 BNUYIWNVDAHABC-GHMZBOCLSA-N 329.353 0.127 70 20 ECID CCCN1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 958412412 DAGXXKXPTYOVDL-CABZTGNLSA-N 333.385 0.105 70 20 ECID CC(=O)N1C[C@H]2CN(C(=O)c3ccc(S(=O)(=O)F)cc3)C[C@H]2C1 893510562 OSRVEUJZOMLZLR-BETUJISGSA-N 340.376 0.895 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]2CN(CCO)C[C@H]21 1050140552 ODMKMMVHXJAMKY-GXFFZTMASA-N 345.396 0.202 70 20 ECID O=C(N[C@H](CCO)C1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1348035977 UTSHUJOUTGTMJZ-LLVKDONJSA-N 334.369 0.580 70 20 ECID CN(C)C(=O)COc1cccc(CNC(=O)c2cccc(=O)n2C)c1 160173821 DZZHGFGHBDOZTE-UHFFFAOYSA-N 343.383 0.782 70 20 ECID C#CCCN1CC[C@@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046629094 WVWNKIWFPJOEBP-CQSZACIVSA-N 327.381 0.890 70 20 ECID CCC(=O)N1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1012107293 HPAMKOVWVLWPEI-RKDXNWHRSA-N 331.369 0.802 70 20 ECID COC[C@H](C)N1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808571 MEMNOBUOYSSUHZ-QWRGUYRKSA-N 347.412 0.760 70 20 ECID O=C(NC1CN(Cc2nncs2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030972325 XLIRIXHCJSTQFH-UHFFFAOYSA-N 345.381 0.139 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(C2OCCO2)CC1 1123616488 KGTHOWNWNSGWMX-UHFFFAOYSA-N 332.353 0.898 70 20 ECID CNC(=O)[C@H](CCSC)NC(=O)c1cccc(S(=O)(=O)F)c1 1121094623 HZPZIZNCWFDDSK-NSHDSACASA-N 348.421 0.942 70 20 ECID CCNC(=O)C1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC1 1517956507 NEAVGMUHWSQJRP-UHFFFAOYSA-N 331.369 0.709 70 20 ECID CCN(C(=O)N[C@H]1CCc2ncnn2C1)[C@@H](C)CS(=O)(=O)CC 161357521 PVDORABEGLNJPI-RYUDHWBXSA-N 343.453 0.448 70 20 ECID C[C@H](CC(=O)c1cccs1)NC(=O)Cn1ccc(=O)n(C)c1=O 160886196 UJTVTWUNXJNVKE-SNVBAGLBSA-N 335.385 0.386 70 20 ECID CCN1CCN(C[C@@H](C)CNC(=O)N2CCCN(CC)CC2)CC1 159910187 WGIIFVMSNDEJFR-KRWDZBQOSA-N 339.528 0.997 70 20 ECID COC[C@@H](O)CNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 159385821 WTTXHEORZMWCFI-QWRGUYRKSA-N 328.800 0.620 70 20 ECID CCC(=O)N(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 939726390 NVZKEXPHUYQZQL-VIFPVBQESA-N 331.369 0.756 70 20 ECID COC[C@@H](C)N1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 981978432 XGQUIBLGHLWZAI-LLVKDONJSA-N 347.412 0.856 70 20 ECID C[C@H](O)CCCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185730794 GZQSZAXNEICOPZ-WDEREUQCSA-N 347.412 0.638 70 20 ECID CO[C@@H](C)CN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185730372 AUZWRTSQZFCIFA-VHSXEESVSA-N 333.385 0.512 70 20 ECID C[C@H](CN1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1527564819 CRHRELMGBZHFRD-SNVBAGLBSA-N 332.401 0.039 70 20 ECID Cc1ccc(NC(=O)C(=O)N2CCN(Cc3cc(C)no3)CC2)cn1 160719795 VGUOTLOICZFEIC-UHFFFAOYSA-N 343.387 0.969 70 20 ECID CNC(=O)CN1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 160842249 JPXGYUAHCMTYDP-UHFFFAOYSA-N 348.329 0.341 70 20 ECID O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(C(=O)CN2CCOCC2)CC1 217856437 WMJWOLUGMDKGJW-ZACQAIPSSA-N 349.475 0.816 70 20 ECID O=C(CCN1C(=O)CCC1=O)Nc1cccc(S(=O)(=O)F)c1 274400691 AMAYPRROBZEPTG-UHFFFAOYSA-N 328.321 0.822 70 20 ECID NC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)cn1 864242997 WHQDYOHFDLDDJX-UHFFFAOYSA-N 337.332 0.769 70 20 ECID NC(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCOCC1 1336962194 TVYBATMSAWGBQY-SNVBAGLBSA-N 347.368 0.073 70 20 ECID O=C(CCc1nc(C2CCCC2)no1)NCCCc1nc(=O)[nH][nH]1 161352433 HFPKVRBNQJIASE-UHFFFAOYSA-N 334.380 0.820 70 20 ECID NC(=O)CCN(C(=O)CNC(=O)c1cccnc1)c1ccccc1 160360008 IARBFSBEFZKDLI-UHFFFAOYSA-N 326.356 0.720 70 20 ECID COC[C@@H](O)CNS(=O)(=O)c1cc(Br)ccc1F 160903521 ALJVOSCMWRWTSP-QMMMGPOBSA-N 342.186 0.874 70 20 ECID COCCN1CCCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1034403767 KQKUGAWZDNCSCU-LLVKDONJSA-N 347.412 0.904 70 20 ECID CSCC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942440732 AYSBZBQIBJVLEM-MRVPVSSYSA-N 349.409 0.367 70 20 ECID CCC(=O)N1CC[C@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 957625163 SIZYYDXFMRXGLP-ZDUSSCGKSA-N 331.369 0.804 70 20 ECID CC1(C)CO[C@H](CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1133980771 AKGNGPWMTDJZKS-JTQLQIEISA-N 347.412 0.807 70 20 ECID Cc1nc([C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)n[nH]1 1351947714 ZTOIAHVRMBJKMM-MRVPVSSYSA-N 327.341 0.729 70 20 ECID C[C@@H](OC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)NCC(=O)O 1593584739 IGYYSQOOSKWTPP-SSDOTTSWSA-N 333.293 0.091 70 20 ECID CN1CCO[C@@H]2CN(C(=O)Nc3ccn(CC(F)(F)F)n3)C[C@@H]21 160519782 OUPUSCBSQLSYOO-VHSXEESVSA-N 333.314 0.992 70 20 ECID CCC[C@H](CCO)CNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 160569369 KCLCRJHEAGALNE-CHWSQXEVSA-N 339.440 0.837 70 20 ECID C[C@@H](CCO)CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 160983112 WZYXIILSKUCYFY-NSHDSACASA-N 326.418 0.757 70 20 ECID CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1 864241381 TYIILWQTCILXRY-RYUDHWBXSA-N 328.365 0.989 70 20 ECID O=C(C[C@H]1CSCCN1)Nc1ncc(S(=O)(=O)F)s1 1580522269 FFAWPRCJPVIPSV-LURJTMIESA-N 325.412 0.835 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C 161498065 LZFDUIZYQLYOQC-WBVHZDCISA-N 336.432 0.884 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)COCC(F)(F)F 160309415 QEONZAOODHDDNB-IUCAKERBSA-N 332.344 0.399 70 20 ECID CN1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 160642320 AOAFRQLXMKRMIR-UHFFFAOYSA-N 335.788 0.514 70 20 ECID NS(=O)(=O)CCN1CCN(C(=O)c2cccc(Cl)c2F)CC1 159827883 NARMCVTZNJHWPN-UHFFFAOYSA-N 349.815 0.525 70 20 ECID CCN1CCCN(C(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 159677426 KLODOJPYDLJTRO-UHFFFAOYSA-N 340.449 0.571 70 20 ECID O=S(=O)(F)c1ccc(S(=O)(=O)N2CCn3nccc32)cc1 460099088 ZCCOWUFJDAGKQH-UHFFFAOYSA-N 331.350 0.750 70 20 ECID COC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1032634875 WTZPSTSRPUZRDI-VWYCJHECSA-N 345.396 0.607 70 20 ECID CC(C)OCCN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1113353699 OYHHNSIJIGJOJB-UHFFFAOYSA-N 347.412 0.856 70 20 ECID C[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CCCO 1071828532 PZXRKLWMFQRTAT-MNOVXSKESA-N 347.412 0.638 70 20 ECID CC[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999957253 VYTGEMDIUMESGV-LDYMZIIASA-N 343.380 0.660 70 20 ECID CC(C)(F)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999952441 BJBOVVSUNWDOTP-UHFFFAOYSA-N 335.332 0.362 70 20 ECID O=C(O)[C@H]1CSCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1608649963 UZFCFGKYALEPBI-LLVKDONJSA-N 347.389 0.916 70 20 ECID CCn1nc(C(=O)N(C)CC(C)(C)CN2CCOCC2)ccc1=O 160299909 UGWDBCWLYLUGKS-UHFFFAOYSA-N 336.436 0.694 70 20 ECID CCCC(=O)NC[C@@H]1CCCN(C(=O)CNC(=O)c2cccnc2)C1 160424319 HIWJDRDIVLAILT-AWEZNQCLSA-N 346.431 0.966 70 20 ECID CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CCC[C@H](N)C3)ccc21 160933421 GBXQBDCBSONGHK-NWDGAFQWSA-N 330.388 0.709 70 20 ECID CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cnc(C(F)(F)F)nc2)O1 159897170 QYILNCVZDHFJBJ-UWVGGRQHSA-N 346.309 0.861 70 20 ECID CCN(CC)CCOCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1349235726 WBPXKSBLDSJHAX-UHFFFAOYSA-N 335.401 0.761 70 20 ECID Cc1cc(CN2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)on1 1030966409 RFRQRIYOLBXRGU-UHFFFAOYSA-N 342.352 0.584 70 20 ECID O=C(N[C@@H](C(=O)O)c1cccnc1)c1cc(S(=O)(=O)F)c[nH]1 1601404531 XKSVTDNEMBFYQA-SNVBAGLBSA-N 327.293 0.624 70 20 ECID COC[C@H](O)CCNC(=O)c1ccc(CN2CCN(C)CC2)cc1 161352191 LEHGDHZFMGQJEB-QGZVFWFLSA-N 335.448 0.561 70 20 ECID Cn1cc(-c2ncc(C(=O)NCC3CCN(CCO)CC3)s2)cn1 160536934 BLPAFKBKKHCGOA-UHFFFAOYSA-N 349.460 0.978 70 20 ECID CCCCN(CCO)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 160619928 ILUBNOMNTPQSNS-GFCCVEGCSA-N 325.413 0.543 70 20 ECID CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 160728334 RSNVGLHZNFLEBH-HWWQOWPSSA-N 339.440 0.836 70 20 ECID CCOC(C)(C)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 159685706 MIHKHWUHNVUHPA-UHFFFAOYSA-N 336.435 0.427 70 20 ECID C[C@@H](CN1CCCCC1)NC(=O)c1ccnc2c(C(N)=O)cnn12 159902940 MAYSBKPYFNPASQ-NSHDSACASA-N 330.392 0.432 70 20 ECID CC[C@H](NC(=O)N1CCCN(CC)CC1)C(=O)N1CCOCC1 159959888 YPCOXPMBRLOHBG-AWEZNQCLSA-N 326.441 0.361 70 20 ECID CNC(=O)CC1CCN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1 159775178 YMDMWGDTWITXIJ-UHFFFAOYSA-N 330.388 0.855 70 20 ECID C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N(C)C[C@@H](C)O 159391264 XRNUKHTXJCLWFM-BDAKNGLRSA-N 347.337 0.860 70 20 ECID C#CCN1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1024652609 QSUHVNCHHYKFSA-LLVKDONJSA-N 327.381 0.890 70 20 ECID CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1000527165 OJWMHJKQTKDJJW-QRTLGDNMSA-N 329.353 0.555 70 20 ECID C[C@@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355674 XQYAOFKQTBMBHQ-LDYMZIIASA-N 343.380 0.612 70 20 ECID COCCCN(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192399164 VRKUYZTUFPYBGN-LLVKDONJSA-N 347.412 0.856 70 20 ECID O=S(=O)(NCC1CCN(CCO)CC1)c1ccc(F)c(F)c1 161399418 SONLUNSVTLJLKV-UHFFFAOYSA-N 334.388 0.947 70 20 ECID O=C(CCCNC(=O)c1ccco1)NC[C@@H](O)CN1CCCCC1 160057308 SKFPLMUQXADLJA-CQSZACIVSA-N 337.420 0.753 70 20 ECID Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)[C@H](C)CO 160400029 LTYKLDAOSMTZEO-LLVKDONJSA-N 326.418 0.889 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)co1 159723980 OCLYWTCPWZTYGL-WCQYABFASA-N 341.433 0.744 70 20 ECID C[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1000759858 CYFCOAJEVCNYEF-LDYMZIIASA-N 343.380 0.517 70 20 ECID C[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CC#N 1071828453 OTFDDPLJIFVRGG-VHSXEESVSA-N 328.369 0.779 70 20 ECID CS(=O)(=O)C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1338942194 COQWHPSJRULABN-QMMMGPOBSA-N 338.382 0.180 70 20 ECID CCN1CC[C@H](NC(=O)Cc2ccc(S(=O)(=O)F)cc2)C1=O 1337436305 GXAVHJIYJHHWGX-LBPRGKRZSA-N 328.365 0.624 70 20 ECID Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CC(O)C1 161486723 VPMAKVOHRJHYCD-UHFFFAOYSA-N 338.429 0.986 70 20 ECID CCCC(=O)N1CCCC[C@@H]1C(=O)NCC1CCN(CCO)CC1 160639675 RBXNUPDCSJTTQQ-MRXNPFEDSA-N 339.480 0.988 70 20 ECID CCC(CC)[C@H](O)CNC(=O)N[C@H]1CCc2nc(COC)nn2C1 160646494 UBHIPJLFGFHVGY-QWHCGFSZSA-N 339.440 0.836 70 20 ECID C[C@H](CN(C)c1ncccn1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1109244710 WPOAIUHVCHDXSW-SECBINFHSA-N 341.368 0.718 70 20 ECID CC(C)CN1CCOC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051115876 FAGDSUDOECFSKX-NSHDSACASA-N 347.412 0.760 70 20 ECID O=C(NCCCNCC[C@@H]1CCCO1)c1cc(S(=O)(=O)F)c[nH]1 1166871476 GKJBRRDFDPXRHM-NSHDSACASA-N 347.412 0.952 70 20 ECID COCCN(CCO)S(=O)(=O)c1cnn(Cc2ccccc2)c1 161025563 MRQAPEPFNODZLH-UHFFFAOYSA-N 339.417 0.561 70 20 ECID C[C@@H]1NC(C(=O)N2CCOC[C@@H]2C2CC2)=NN(c2ccccc2)C1=O 161256331 JCRUNOQRXZKJHU-SWLSCSKDSA-N 342.399 0.962 70 20 ECID C[C@@H](CC(=O)NCC(C)(C)N)NC1=NS(=O)(=O)c2ccccc21 160099809 MTYQBFHUVRPEDO-JTQLQIEISA-N 338.433 0.357 70 20 ECID CS(=O)(=O)NCCCNC(=O)Nc1ccn(CC(F)(F)F)n1 160389207 FZGMUHNJLLYFPL-UHFFFAOYSA-N 343.331 0.506 70 20 ECID COc1ccccc1[C@H](N)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 159387247 GUIVQYGDQNNCKU-INIZCTEOSA-N 343.387 0.304 70 20 ECID C[C@H](O)CNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1106675844 QINSXPJQAKCAKE-OUAUKWLOSA-N 347.412 0.351 70 20 ECID CC(C)N1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 958412640 HHGHVPGOTVTMDB-CABZTGNLSA-N 333.385 0.104 70 20 ECID C#CCN1CCC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1072989664 LPHDGCUUWZRPTM-UHFFFAOYSA-N 325.365 0.454 70 20 ECID O=C(NC[C@H]1[C@@H]2CN(CC3CC3)C[C@H]12)c1cc(S(=O)(=O)F)c[nH]1 978711101 ARQXVIBYFFHFDU-XYYAHUGASA-N 341.408 0.991 70 20 ECID C[C@H](O)CN[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C 996307529 FESNCKCVVMXZRO-CABZTGNLSA-N 347.412 0.494 70 20 ECID CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1N(C)C 1346641426 GOVKHQXPSYTDPW-WDEREUQCSA-N 335.426 0.791 70 20 ECID COC[C@H](O)CCNC(=O)CCn1cnc2c(C)cccc2c1=O 161082416 XICJOYGLAFBUSQ-CYBMUJFWSA-N 333.388 0.609 70 20 ECID CN(C)CCN(CCOCCO)S(=O)(=O)c1cccc(F)c1 161304290 IYNGQDRPXMUWLR-UHFFFAOYSA-N 334.413 0.387 70 20 ECID CCN(C(=O)N[C@@H]1CCc2ncnn2C1)[C@H](C)CS(=O)(=O)CC 161357394 PVDORABEGLNJPI-VXGBXAGGSA-N 343.453 0.448 70 20 ECID NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)O1 161365874 RULIJCPIPZKXMW-HRCADAONSA-N 349.406 0.939 70 20 ECID Cn1c(=O)ccn(CC(=O)O[C@H](c2ccccn2)C(F)(F)F)c1=O 160492630 SWQCXWILHWPFGB-GFCCVEGCSA-N 343.261 0.789 70 20 ECID O=C(CC1CC1)N[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 972886494 YURTXZJIDMJBHC-MGCOHNPYSA-N 343.380 0.850 70 20 ECID CO[C@@H](C)CN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1215571498 OXCUXDFTDOPHDF-GBIKHYSHSA-N 347.412 0.758 70 20 ECID Cc1ccc2cc(C(=O)N3CCN(S(N)(=O)=O)CC3)ccc2n1 161402963 CXJQTQWGZSBAES-UHFFFAOYSA-N 334.401 0.505 70 20 ECID O=C(Cn1cc(-c2ccccc2)nn1)NC[C@@H](O)CN1CCCCC1 160014989 MTKFAVTZGOTYPQ-MRXNPFEDSA-N 343.431 0.908 70 20 ECID CN(C)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)ccn1 160468849 VYKLGFADMMGGMA-STQMWFEESA-N 340.449 0.595 70 20 ECID CCS(=O)(=O)c1cccc(CC(=O)N[C@H](C(N)=O)C(C)C)c1 159868367 MKLANHKUFPZMKL-AWEZNQCLSA-N 326.418 0.649 70 20 ECID C[C@H](O)CN1CCC(C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1045558500 NLUKVPYCFNNFKP-JTQLQIEISA-N 347.412 0.638 70 20 ECID O=C(Cc1ccncc1)NNC(=O)c1cccc(S(=O)(=O)F)c1 1121032416 QAUKQNCLVLNMGJ-UHFFFAOYSA-N 337.332 0.744 70 20 ECID N#CCN[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 981340578 OGPVHTLNVRQLNU-NXEZZACHSA-N 328.369 0.827 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)co1 159723695 OCLYWTCPWZTYGL-DGCLKSJQSA-N 341.433 0.744 70 20 ECID CC(=O)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C(C)(C)C1 1008601613 NYAIUWSPJKUUHG-LLVKDONJSA-N 331.369 0.660 70 20 ECID CNC[C@@H]1CCCN1C(=O)CCn1[nH]c(=O)c2ccccc2c1=O 161254051 MALOGZQJYCPWRH-LBPRGKRZSA-N 330.388 0.290 70 20 ECID O=C(CCCNC(=O)c1ccco1)NC[C@H](O)CN1CCCCC1 160057189 SKFPLMUQXADLJA-AWEZNQCLSA-N 337.420 0.753 70 20 ECID NC(=O)Cn1cc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cn1 159421883 DMBTXMVQHZWPSL-UHFFFAOYSA-N 327.344 0.513 70 20 ECID CCN1CCCN(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 159875933 DQRQISDEOKDYAI-AWEZNQCLSA-N 334.424 0.263 70 20 ECID CC(=O)N1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C 1018431427 YPBBBCODESYSLY-PSASIEDQSA-N 331.369 0.802 70 20 ECID C[C@@H](O)CN1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1024652803 VYDBVERWQSPWDF-MNOVXSKESA-N 347.412 0.638 70 20 ECID CC(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 945530481 OVOYLNFIRVDATA-GZMMTYOYSA-N 331.369 0.660 70 20 ECID N#CCN1CC[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 1042238706 WYVGKALHBVBKST-ZWNOBZJWSA-N 340.380 0.733 70 20 ECID COC(=O)C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1338068782 QUUGRGJRFYOPNQ-MRVPVSSYSA-N 334.325 0.077 70 20 ECID CC(=O)N[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1 1354996483 ZVRFDBQBRJQOCM-LBPRGKRZSA-N 328.365 0.624 70 20 ECID C[C@H](NC(=O)CN1CCC([C@@H](O)C(F)(F)F)CC1)C(=O)N(C)C 161345992 BODDIEXECYFHLF-JOYOIKCWSA-N 339.358 0.215 70 20 ECID Cn1c(=O)oc2ccc(NCC(=O)NCC(=O)NC(C)(C)C)cc21 161386153 UZLDKEQDCWDGRT-UHFFFAOYSA-N 334.376 0.574 70 20 ECID CCC(CC)[C@H](CNC(=O)C1(NC(N)=O)CC1)N1CCOCC1 160055547 ZDTNORCYBUEVOU-ZDUSSCGKSA-N 326.441 0.441 70 20 ECID CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CCS1(=O)=O 160158276 WHENPPDRLKMPND-UHFFFAOYSA-N 349.416 0.240 70 20 ECID CCn1cc(S(=O)(=O)N(C)CC(C)(C)CN2CCOCC2)cn1 159462576 PNWSIWFJRNWECJ-UHFFFAOYSA-N 344.481 0.882 70 20 ECID CN(CCNc1ncccn1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1101955413 KCRRSEGLXFCYNN-UHFFFAOYSA-N 327.341 0.647 70 20 ECID CCCN1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O 1346929283 NOZIRPCLXBYMNB-UHFFFAOYSA-N 331.369 0.757 70 20 ECID COCCNC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1754823375 XRVCWAFWHIJVOJ-MNOVXSKESA-N 347.412 0.617 70 20 ECID CNC(=O)COc1cccc(CC(=O)NCCCn2cccn2)c1 161224203 JPDJFOYMEUPVOX-UHFFFAOYSA-N 330.388 0.757 70 20 ECID CC#CCN1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035512147 SREYMJZAKRRWNQ-LLVKDONJSA-N 343.380 0.127 70 20 ECID Cn1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c(O)nc1=O 460094775 SSMQKKMLHSDJSK-UHFFFAOYSA-N 327.293 0.396 70 20 ECID COC[C@@](C)(NC(=O)c1cccc(S(=O)(=O)F)c1)C(=O)OC 1120944419 MNBITGPCMABYSQ-CYBMUJFWSA-N 333.337 0.653 70 20 ECID CCCC(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952162637 FCZUETDJVLFALP-SECBINFHSA-N 331.369 0.804 70 20 ECID COCCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1080458365 VFVLBXZWLNPCMP-BXKDBHETSA-N 333.385 0.369 70 20 ECID C[C@@H]1[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1CCCO 993819177 GBNJUPCLIJEPJZ-ZYHUDNBSSA-N 347.412 0.638 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1337795881 YAXILOQYNNWAFN-JTQLQIEISA-N 349.405 0.912 70 20 ECID CC(=O)NCCc1ccc(S(=O)(=O)N(C)C[C@H](O)C2CC2)cc1 161470848 KAIKLTQVRBPMJL-INIZCTEOSA-N 340.445 0.757 70 20 ECID O=c1[nH]c(=O)c2cc(S(=O)(=O)NCC3(C4CC4)CC3)ccc2[nH]1 160203933 QBEHQZHKFNYXFV-UHFFFAOYSA-N 335.385 0.685 70 20 ECID COCCN(Cc1ccc(C)o1)C(=O)N[C@@H]1CCS(=O)(=O)C1 160263167 QCEOLLRGBGICHG-GFCCVEGCSA-N 330.406 0.933 70 20 ECID Cc1conc1NC(=O)C(=O)N[C@H](C)C(=O)NCc1ccccc1 160712174 FHLHLNQFMNOTQK-LLVKDONJSA-N 330.344 0.743 70 20 ECID CCN(C(=O)[C@H](C)N(C)C[C@H](O)C1CC1)[C@@H]1CCS(=O)(=O)C1 160728173 OMLOSQANWBSBRC-YUTCNCBUSA-N 332.466 0.113 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](Nc2ncccn2)C1 1059068448 IOPASZBPVQKXRZ-VIFPVBQESA-N 339.352 0.790 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1NCC#N 1036195023 QWASIBAPPTYHBG-KOLCDFICSA-N 328.369 0.637 70 20 ECID CN(C(=O)C1(C)CC1)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 954473383 GNTUVZFGTSJCGF-UHFFFAOYSA-N 343.380 0.756 70 20 ECID O=C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]2CCCC[C@@H]2N1 1123650180 YUDHXLUJHXMXPB-ONGXEEELSA-N 329.353 0.556 70 20 ECID CCN1CCC[C@H]1CNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 161091352 DTHUMJYMSWFSOD-KBXCAEBGSA-N 344.415 0.955 70 20 ECID Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCN(c3ccccn3)C2)c1C 161214786 LDHKJBKXIGZSAI-ZDUSSCGKSA-N 327.388 0.801 70 20 ECID COc1ccccc1N1CC[C@H](NC(=O)CCc2nnc[nH]2)C1=O 161366611 WXKWUXUJDVPQOL-NSHDSACASA-N 329.360 0.668 70 20 ECID Cc1ccc(-c2n[nH]c(NC(=O)Cn3ccc(=O)n(C)c3=O)c2C)o1 161491458 SOWYJFSTWWOPTD-UHFFFAOYSA-N 343.343 0.786 70 20 ECID CN(CCc1ccccn1)C(=O)CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O 160610858 WPNKUGNTAWZSPX-HOCLYGCPSA-N 348.447 0.885 70 20 ECID CC[C@H]1CCC[C@H]1NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 159594026 AHMRYYRGVOMGAS-NWDGAFQWSA-N 328.438 0.702 70 20 ECID CCCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1009877668 WAPUZUBNQPJBQD-UHFFFAOYSA-N 331.369 0.757 70 20 ECID CN(C)CCCNC(=O)c1nccc2c(S(N)(=O)=O)cccc12 160558474 JRCJQMLVTSHDLR-UHFFFAOYSA-N 336.417 0.564 70 20 ECID CC(=O)NCc1ccc(C(=O)NCC2CCN(CCO)CC2)cc1 160722494 FLHBUINLWRJXQX-UHFFFAOYSA-N 333.432 0.757 70 20 ECID COCCOCC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 216736859 ANJKTIQWDDVCKG-UHFFFAOYSA-N 326.315 0.567 70 20 ECID CCC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 1011338111 FYKIJVPWJQAXSU-WCBMZHEXSA-N 331.369 0.802 70 20 ECID N#CCN1CC[C@]2(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CCC[C@H]12 992188250 KXNAIFJLANMCFY-GXTWGEPZSA-N 340.380 0.923 70 20 ECID CO[C@]1(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)CCOC1 1338804709 PSYDWCOVCCQWFK-AWEZNQCLSA-N 331.365 0.809 70 20 ECID O=C(CNC(=O)Cc1ccc(S(=O)(=O)F)cc1)NCC(F)F 1518162132 RIIVGFXODIOKAJ-UHFFFAOYSA-N 338.307 0.385 70 20 ECID CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 160301374 RILVVTVMCLZZLN-CABCVRRESA-N 348.451 0.507 70 20 ECID CN(Cc1cccn1C)C(=O)CCN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 160414202 HVNBEJQQPNHQPH-XRGAULLZSA-N 345.399 0.536 70 20 ECID COc1ccc(N(C)C(=O)c2cn(CC(=O)N(C)C)nn2)cc1F 159774930 OPLFWULXTJUOPQ-UHFFFAOYSA-N 335.339 0.791 70 20 ECID Cc1cnccc1NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 159392205 PJTQLMKOHQFVTB-UHFFFAOYSA-N 339.355 0.896 70 20 ECID CC(C)[C@H](N)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 159797139 UPVNBJICLXJOSR-SJORKVTESA-N 344.459 0.919 70 20 ECID C=CCN1CC2(C[C@@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CO2)C1 1053927093 RVXJEBZZYGVGSJ-SNVBAGLBSA-N 343.380 0.432 70 20 ECID O=C(N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CC1 937588446 QBDYTOIBQCYBAY-VIFPVBQESA-N 329.353 0.414 70 20 ECID N#CCN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@H]21 1036823478 IFFPYNNGKQKXLC-ZWNOBZJWSA-N 340.380 0.733 70 20 ECID CC(=O)N[C@H]1CC12CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 962440068 BZCLULOLRXFLRI-LBPRGKRZSA-N 343.380 0.804 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H](c2nc(O)n[nH]2)C1 1521438029 NTXQJSUVPCLJKQ-ZETCQYMHSA-N 343.340 0.516 70 20 ECID Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2nocc2C)cc1 161135660 ZDPHMFOVAWXSKI-UHFFFAOYSA-N 330.344 0.776 70 20 ECID O=C(Cn1cc(C(=O)N2CCCNCC2)cn1)NC1CCCCC1 160856204 JMINFLXSQDAHPQ-UHFFFAOYSA-N 333.436 0.768 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(N2CCNC2=O)cc1 159924139 GAUAHODBUPIHRO-MRXNPFEDSA-N 346.431 0.793 70 20 ECID C[C@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)c1ncnn1C 1262792996 VCNKUSSAUMZVLI-VIFPVBQESA-N 326.353 0.893 70 20 ECID CO[C@H](C)CN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015716228 QBZVTWHHWUBUOU-NXEZZACHSA-N 333.385 0.512 70 20 ECID CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1NCCO 1037931615 FARPZPXLSLESSE-PWSUYJOCSA-N 347.412 0.496 70 20 ECID CC(C)[C@H](F)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999957043 SPJSHNPDRMRGIC-NSHDSACASA-N 349.359 0.608 70 20 ECID CS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346929510 QEESXGGWQOFAOD-QMMMGPOBSA-N 338.382 0.322 70 20 ECID C[C@@H](O)CCCN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1753064913 ZGNHIRBSFVQSNN-SNVBAGLBSA-N 335.401 0.496 70 20 ECID O=C(/C=C/C(=O)N1CCN(CCO)CC1)Nc1ccc2[nH]ncc2c1 161493896 TUGPQSQHULRMSY-ONEGZZNKSA-N 343.387 0.194 70 20 ECID Cn1c(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cccc1=O 160682950 IKHBTXVROBHWKM-CYBMUJFWSA-N 329.356 0.899 70 20 ECID CCn1cc(NC(=O)C(=O)NC[C@@H]2CCN(CC(C)C)C2)ccc1=O 159468235 NVMRQSOIMDJJSH-AWEZNQCLSA-N 348.447 0.901 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 945078818 GGYQBDQWVJOALA-LDYMZIIASA-N 331.369 0.660 70 20 ECID C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1ncc(F)cn1 1098288148 GHVOBCNISBLIQU-ZETCQYMHSA-N 345.331 0.832 70 20 ECID O=C(Nc1ccnc(OCCO)c1)c1cc(S(=O)(=O)F)c[nH]1 1354884447 DHDLCIZARYHPNT-UHFFFAOYSA-N 329.309 0.691 70 20 ECID O=C(NCCn1cc(C(=O)O)nn1)c1ccc(S(=O)(=O)F)cc1 1601516962 SBMARFPALCPEOQ-UHFFFAOYSA-N 342.308 0.065 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)NCC1(O)CCCCC1)CC2 160589862 QLUZUDXZZQXZGQ-LBPRGKRZSA-N 337.424 0.734 70 20 ECID CCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1014070681 FCWCNXSNHYCMJS-BDAKNGLRSA-N 331.369 0.802 70 20 ECID O=C(NC[C@@H](CO)Cc1ccco1)c1cc(S(=O)(=O)F)c[nH]1 1123466077 XHEKLKLPRLLDLX-VIFPVBQESA-N 330.337 0.847 70 20 ECID O=C(NC[C@H]1CN(CC2CC2)C[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1 958413807 USRNCNCFRCTZSO-GWCFXTLKSA-N 345.396 0.105 70 20 ECID CO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1078506776 VEEQJVBYLFKFFH-IUCAKERBSA-N 349.384 0.332 70 20 ECID CCCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090575225 DCGVSUGROMUOHG-AAEUAGOBSA-N 347.412 0.638 70 20 ECID CN(C)C(=O)[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1 1337598922 TVFDJCKVZLCIBV-LBPRGKRZSA-N 342.392 0.824 70 20 ECID CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)F)c1 1336948863 BTOOOVKTFJSEJV-NEPJUHHUSA-N 328.365 0.989 70 20 ECID O=C(O)c1cc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)ccn1 1602258819 LBBNZHDMADKZBD-UHFFFAOYSA-N 327.293 0.696 70 20 ECID C[C@H](O)CCCN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1753064911 ZGNHIRBSFVQSNN-JTQLQIEISA-N 335.401 0.496 70 20 ECID CCS(=O)(=O)N1CCN(Cc2nnc(-c3ccccc3)n2C)CC1 160884046 PGROUKOEXYBPOZ-UHFFFAOYSA-N 349.460 0.949 70 20 ECID COC[C@@H](C)S(=O)(=O)NCCNc1nccc(C(F)(F)F)n1 159600640 ZCMOHXBJVRKCIE-MRVPVSSYSA-N 342.343 0.862 70 20 ECID COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 159375286 SYECPNPUXDNTNG-XHSDSOJGSA-N 332.400 0.331 70 20 ECID COCCN[C@@H](C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1135488029 BGNSYRVCQOKMSH-UWVGGRQHSA-N 335.401 0.806 70 20 ECID C[C@H]1C[C@@H](CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1133976376 NDOTZJBRAOOFEW-QWRGUYRKSA-N 347.412 0.807 70 20 ECID O=C(NC1CN(C(=O)CCC2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 999953873 RARIPSCBHDFWDB-UHFFFAOYSA-N 343.380 0.804 70 20 ECID C=C(C)CNCCN(CCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1754891218 NQTAHRZHQOCXFF-UHFFFAOYSA-N 333.385 0.273 70 20 ECID C=CCCN(C)C[C@@H](O)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1755805915 UOKROWFAOBYXNO-LLVKDONJSA-N 347.412 0.614 70 20 ECID CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCc2nc(COC)nn2C1 161032531 NXBPEWLXWMCZRZ-QWHCGFSZSA-N 337.424 0.950 70 20 ECID O=C(Cn1c(-c2cccnc2)noc1=O)NC(=O)NCC(F)(F)F 161264127 PMNVMUHIASKBSF-UHFFFAOYSA-N 345.237 0.286 70 20 ECID Cc1csc(=O)n1CCC(=O)NCC1CCN(CCO)CC1 160722259 NNNIGZBZJZWBGA-UHFFFAOYSA-N 327.450 0.429 70 20 ECID CN(CC(=O)N[C@H]1CCC[C@H](N)C1)S(=O)(=O)c1cccnc1 160780678 NZELQKRYSPTPID-RYUDHWBXSA-N 326.422 0.088 70 20 ECID CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)C1 159609025 UUOOZNAOODLNPZ-GFCCVEGCSA-N 335.389 0.235 70 20 ECID COc1cc(NC(=O)N2CCN(CCO)CC2)cc(OC)c1OC 217268265 DBZUSGGIOWXEFM-UHFFFAOYSA-N 339.392 0.854 70 20 ECID CO[C@@H]1CN(CCF)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1082144383 VVMDQZRUPYOTDL-GHMZBOCLSA-N 337.348 0.071 70 20 ECID CO[C@H](C)CN1CC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085820373 YBWKEOQPFKLUOF-MNOVXSKESA-N 347.412 0.854 70 20 ECID C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCS1(=O)=O 1348405494 LUNULLCSJVJYFX-QMMMGPOBSA-N 338.382 0.322 70 20 ECID O=[N+]([O-])c1ccc(N[C@H]2COC3(CNC3)C2)c(CS(=O)(=O)F)c1 1580876004 VYINXWYAFPWRBR-SNVBAGLBSA-N 345.352 0.937 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)COC[C@@H]1CCOC1 160164150 VGMCHRNODSPICO-OAHLLOKOSA-N 328.453 0.856 70 20 ECID Cc1ccc(CC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cn1 160479947 GPPUETHJMQWAJF-UONOGXRCSA-N 325.434 0.767 70 20 ECID CCN1CCN(CC(=O)NCCc2cc3ccccc3[nH]2)C(=O)C1=O 159684868 CIGXWRUJKNOXMU-UHFFFAOYSA-N 342.399 0.517 70 20 ECID CCOc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 217301087 TYTMBABFOBQECQ-UHFFFAOYSA-N 341.433 0.872 70 20 ECID O=C(N[C@H]1CCN(Cc2ccon2)C1)c1cc(S(=O)(=O)F)c[nH]1 1015716501 WUVBOCKKRUXOIP-VIFPVBQESA-N 342.352 0.665 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1CNCC#N 1106675672 JHLHTVIPVYVBIC-NXEZZACHSA-N 328.369 0.494 70 20 ECID CCN(CC)S(=O)(=O)c1ccc(=O)n(CCS(=O)(=O)F)c1 883953771 KLYXCQYYLVTXOV-UHFFFAOYSA-N 340.398 0.178 70 20 ECID CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 963579978 VUXHKDKECPEPLB-CHWSQXEVSA-N 343.380 0.898 70 20 ECID N#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1052715896 ILAAGUALAXGTBF-JTQLQIEISA-N 328.369 0.781 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CC[C@H](CC(N)=O)C1 1339045962 XJZHAZOFNVBBJU-SNVBAGLBSA-N 328.365 0.991 70 20 ECID CN1CC[C@@H](N(C)C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1=O 1340648980 UPAFAMAPAPOWJW-GFCCVEGCSA-N 328.365 0.576 70 20 ECID CCn1c(S)nnc1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1519147811 WFFNGUOATIVHRP-UHFFFAOYSA-N 347.397 0.546 70 20 ECID C[C@H](O)CCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1713957408 RCUQZUSFHODGCL-QWRGUYRKSA-N 347.412 0.638 70 20 ECID CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCNC(=O)c1cccnc1 161180782 XBHLROONBCJNCX-AWEZNQCLSA-N 332.404 0.671 70 20 ECID CCOC(=O)C[C@H](C)NC(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C 160523897 NOXBCQOTXFDDJX-VIFPVBQESA-N 348.403 0.879 70 20 ECID CCCC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 160705711 JTFDUKDMEHAASR-LLVKDONJSA-N 328.438 0.783 70 20 ECID O=C(NC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1 944300262 YTYGISGTZSADDG-SNVBAGLBSA-N 343.380 0.804 70 20 ECID Cc1ncccc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133976510 NXHIPDLSTJTJMP-UHFFFAOYSA-N 340.380 0.896 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 1521438028 NTXQJSUVPCLJKQ-SSDOTTSWSA-N 343.340 0.516 70 20 ECID CN1CC[C@H](C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)CC1=O 160174259 QBNGVCIITBWUCP-BPUTZDHNSA-N 337.464 0.739 70 20 ECID CN(CC(=O)N1CCOCC1)C(=O)N[C@H]1CCN(C2CCCC2)C1 160811700 KKQPXJFKLRFMNY-AWEZNQCLSA-N 338.452 0.504 70 20 ECID CC(C)CN(CC(N)=O)C(=O)Cn1cc(Br)ccc1=O 159726360 ASMKTUAUNNYJOD-UHFFFAOYSA-N 344.209 0.581 70 20 ECID Cc1ccnc(N(C)CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1100330297 KYZRRSJOMWRJSH-UHFFFAOYSA-N 341.368 0.638 70 20 ECID COCCN1CCCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1034403769 KQKUGAWZDNCSCU-NSHDSACASA-N 347.412 0.904 70 20 ECID O=[N+]([O-])c1ccc(N2CCS(=O)CC2)c(CS(=O)(=O)F)c1 881918156 FPGDKHRLZBHQCT-UHFFFAOYSA-N 336.366 0.963 70 20 ECID CC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN(CCCO)CC1 1045558198 FZVMNKYYFUTEJD-UHFFFAOYSA-N 347.412 0.640 70 20 ECID CC[C@H]1COCCN1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1350289914 OJMWACGZKPDRLY-JTQLQIEISA-N 333.385 0.514 70 20 ECID CCC[C@@](C)(CO)NC(=O)N[C@H]1CCc2nc(COC)nn2C1 160689001 SPLQDLIXKJMJHU-NHYWBVRUSA-N 325.413 0.590 70 20 ECID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCCN(CCO)C1 1025534091 JVQMGDMRARLGTN-GHMZBOCLSA-N 347.412 0.496 70 20 ECID N#CCN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1095006209 ZCQFUUQSZUGTCC-DCAQKATOSA-N 340.380 0.779 70 20 ECID COc1ccccc1N1CC[C@@H](NC(=O)CCn2cncn2)C1=O 161268598 OFGHBKUBJHYDQF-GFCCVEGCSA-N 329.360 0.599 70 20 ECID CC(C)C[C@@H](CO)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 160783338 VONKPSVAWKYPQH-AWEZNQCLSA-N 346.435 0.864 70 20 ECID C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H](O)C(C)(C)C 159596587 UEWYMJOEVOAMMB-NXEZZACHSA-N 334.463 0.938 70 20 ECID C[C@@H]1[C@H](NC(=O)c2cccc(S(=O)(=O)F)c2)CCS1(=O)=O 1340630743 UCCBUUSHDXBJBN-LDYMZIIASA-N 335.378 0.650 70 20 ECID O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CCS(=O)(=O)F 916622603 BSRBTAREYVIKOF-ZDUSSCGKSA-N 328.321 0.516 70 20 ECID CSCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1010182447 IFBBPVASEVQCND-UHFFFAOYSA-N 349.409 0.320 70 20 ECID C#CCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1C 1133125875 MWMIZBVPGGOMIB-NWDGAFQWSA-N 341.408 0.994 70 20 ECID O=C(NCCC1CCN(CCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1753598345 CHJXSOQRKHESSS-UHFFFAOYSA-N 347.412 0.497 70 20 ECID CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 160161260 AXGMFSLYTXNAGH-CQSZACIVSA-N 346.431 0.965 70 20 ECID O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(Cc2ccccn2)CC1 160603911 WRMVOCJQLKECGX-OAHLLOKOSA-N 343.431 0.672 70 20 ECID CC(=O)NC[C@H]1[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]12 1008659477 BNUYIWNVDAHABC-RTCCRHLQSA-N 329.353 0.127 70 20 ECID CCCCN1C[C@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958413485 PKALFKXIVXSMDC-MFKMUULPSA-N 347.412 0.496 70 20 ECID C[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CCO 1071828258 LVRWJSMEHINODP-ZJUUUORDSA-N 333.385 0.248 70 20 ECID CO[C@@H](C)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1088864372 HGGDGKJANWZQOD-UMNHJUIQSA-N 347.412 0.900 70 20 ECID N#CCN[C@@H]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1086803674 UDDCZGTZNQLAIA-VHSXEESVSA-N 328.369 0.685 70 20 ECID COC(=O)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCOCC1 1338389208 HECLHTIWDNBUDY-UHFFFAOYSA-N 348.352 0.467 70 20 ECID C[C@@H]1OCC[C@@]12CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CCO2 1262788074 RPJCROWTLCPNMQ-TVQRCGJNSA-N 332.353 0.693 70 20 ECID CCN1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 161075159 GDPGWGFNJWKXBC-UHFFFAOYSA-N 340.449 0.218 70 20 ECID C[C@@H](C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)C1CCOCC1 161226325 VLSPGTZINZUXNB-ZIAGYGMSSA-N 337.464 0.860 70 20 ECID CC(C)c1cc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)n(C)n1 160732499 PSWVBNVEECSGGQ-VXGBXAGGSA-N 342.465 0.991 70 20 ECID CN(Cc1cccn1C)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 160843531 IRCAIHGHDJFEOE-APYUEPQZSA-N 327.384 0.791 70 20 ECID CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(NCC2CC2)CC1 159822530 HLYLJLREPFMAMB-DOMZBBRYSA-N 345.509 0.941 70 20 ECID CC[C@H]1C(=O)NCCN1C(=O)Cc1cccc(S(=O)(=O)CC)c1 159850962 UNPNJWONMSRSMN-AWEZNQCLSA-N 338.429 0.760 70 20 ECID C=C(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958413470 PAPTUGZMFCQHMQ-ZWNOBZJWSA-N 345.396 0.272 70 20 ECID NC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1 1336412512 GGPTYBAHGFVOAW-UHFFFAOYSA-N 325.321 0.702 70 20 ECID CN(C[C@@H]1CCC[C@@H]1O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 161348404 BHAOTTMYZIUVII-UBHSHLNASA-N 335.408 0.328 70 20 ECID O=C(CN1CCN(c2ccccn2)CC1)NCCSCCCO 161454445 WEQDDKFHTUKJCT-UHFFFAOYSA-N 338.477 0.435 70 20 ECID CCCCn1c(N)c(N(C)Cc2nc(O)cc(CC)n2)c(=O)[nH]c1=O 160618700 YWLYQRATGXUNBY-UHFFFAOYSA-N 348.407 0.613 70 20 ECID CN[C@@H]1CCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C1 160685187 UJKVMGNZRAZLER-OAHLLOKOSA-N 333.436 0.766 70 20 ECID CCn1cc(S(=O)(=O)NC[C@H](O)c2ccc(OC)cc2)cn1 159500508 GGLITRFPGCJRME-AWEZNQCLSA-N 325.390 0.924 70 20 ECID CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)[C@H]1CCS(=O)(=O)C1 864238273 HOHYSJNVNHMNDY-NSHDSACASA-N 349.405 0.994 70 20 ECID C#CCCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1106675631 HBINTFDCGMTOIO-VXGBXAGGSA-N 341.408 0.994 70 20 ECID CC(C)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958412641 HHGHVPGOTVTMDB-JOYOIKCWSA-N 333.385 0.104 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@]2(CCOC2)O1 1121094733 KJMLVNZHOVJTFR-RNCFNFMXSA-N 332.353 0.693 70 20 ECID CCCC[C@H](NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O 1133983107 ZZZQWYLQNYZLFL-JTQLQIEISA-N 348.400 0.036 70 20 ECID COCCCNC(=O)CN(C)C(=O)c1cn(-c2cccc(C)c2)nn1 161319621 WRFULDIZIIEFNO-UHFFFAOYSA-N 345.403 0.800 70 20 ECID C[C@@](NCCN1C(=O)NC2(CCCC2)C1=O)(C(N)=O)c1ccccc1 159931443 OLCBTNIVLNQFPH-KRWDZBQOSA-N 344.415 0.841 70 20 ECID C[C@H]1[C@H](NC(=O)C2CC2)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1012080401 VOBGPDDOMMNTOL-GZMMTYOYSA-N 343.380 0.802 70 20 ECID C#CCN1CC[C@H](C)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 968334199 HNFQPGGHPGPNRJ-GXFFZTMASA-N 327.381 0.746 70 20 ECID CN(C[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)C1CC1 977262924 SHYRXKQNBBOZQH-JTQLQIEISA-N 343.380 0.756 70 20 ECID COC[C@H](O)CCNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 161074715 HSMAGCXQRQUVOT-GFCCVEGCSA-N 348.321 0.949 70 20 ECID Cn1c(C(=O)NCCCS(=O)(=O)c2ccccc2)cccc1=O 161308272 RMKLDEZIIGUCMM-UHFFFAOYSA-N 334.397 0.979 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](N3CCCC3)C1)CC2 160980596 SMJCSMOFFFFRTL-KGLIPLIRSA-N 348.451 0.619 70 20 ECID CC1(C(=O)N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)CC1 1011241635 SYSRGTZDROZFNU-UHFFFAOYSA-N 343.380 0.757 70 20 ECID COCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1037584202 FRWLEXSEICMVQV-JFUSQASVSA-N 331.369 0.122 70 20 ECID COCCN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1084669020 WIZWBFNWQXGFPW-ZWNOBZJWSA-N 345.396 0.466 70 20 ECID CCC1(C(=O)N2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1 999955631 PCYYGFSBCIRYPL-UHFFFAOYSA-N 343.380 0.804 70 20 ECID C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)c1ncnn1C 1262792995 VCNKUSSAUMZVLI-SECBINFHSA-N 326.353 0.893 70 20 ECID COCCN(CC(=O)OC)C(=O)c1ccc(S(=O)(=O)F)cc1C 1354666349 FQNRLQJJEZSARV-UHFFFAOYSA-N 347.364 0.915 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)NCC[C@H](O)C(C)C)CC2 160732904 JWEDUHUIRUWOGO-RYUDHWBXSA-N 325.413 0.446 70 20 ECID COc1ccccc1-n1cc(S(=O)(=O)NC[C@H](C)CO)cn1 159699233 CXJWJRGUEFNHFQ-NSHDSACASA-N 325.390 0.788 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCN(CCCO)CC1 1006002710 AJZZWMIGOQHNCM-UHFFFAOYSA-N 347.412 0.592 70 20 ECID Cn1cnnc1COCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1 857672741 JHTGGJRMBKQGKN-UHFFFAOYSA-N 346.315 0.768 70 20 ECID Cc1ccc(NCCN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)nn1 1101955320 DHVOXGVDJJSPGY-UHFFFAOYSA-N 341.368 0.955 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]2[C@@H]1CCN2CCO 1049726309 CXWSUBYWUFERFA-OLZOCXBDSA-N 345.396 0.344 70 20 ECID O=C(NCC1(N2CCOCC2)CC1)c1cccc(S(=O)(=O)F)c1 1121094542 FIQJDJZFVRMRCG-UHFFFAOYSA-N 342.392 0.939 70 20 ECID C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346795432 DZVKIIPNHZBAOX-MRVPVSSYSA-N 338.382 0.322 70 20 ECID O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)nc1 1551207412 XGFANKFQGNNBNH-OLZOCXBDSA-N 329.397 0.775 70 20 ECID CC[C@@](C)(O)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 160326829 LKGIPBKIDWWNBQ-CQSZACIVSA-N 329.422 0.690 70 20 ECID CC(C)(O)CN1CCN(S(=O)(=O)C2Cc3ccccc3C2)CC1 160818645 QDAORWXPVVWYTB-UHFFFAOYSA-N 338.473 0.872 70 20 ECID CC(C)C(=O)NCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1075658994 DIZKHIYIBCJWTE-VIFPVBQESA-N 333.385 0.954 70 20 ECID O=C(NC1CN(C(=O)C2CCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 999952753 OLPJEBQAAOVNTM-UHFFFAOYSA-N 329.353 0.414 70 20 ECID O=C(O)C[C@]1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCOC1 1608686081 XTCAMRHWSOXMGC-CYBMUJFWSA-N 331.321 0.708 70 20 ECID COCCCN(C)CCNC(=O)N1CCN(Cc2ccccn2)CC1 160381743 JUZLQSUGUPDORZ-UHFFFAOYSA-N 349.479 0.877 70 20 ECID C[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)CN1CCOCC1 160389772 DUUMFDZKGXASCM-SNVBAGLBSA-N 336.845 0.320 70 20 ECID O=C(CNC(=O)c1ccco1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 160754229 FZDUJXCJYMDNQI-HUUCEWRRSA-N 349.431 0.894 70 20 ECID C[C@H]1C[C@@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@H](C)CN1C 160986452 WKZBOYQIEDBHAB-DVOMOZLQSA-N 332.448 0.720 70 20 ECID COc1ccc([C@@H](O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 159496220 MJSPPQWIGYEIIK-ZDUSSCGKSA-N 325.390 0.749 70 20 ECID CN1N=C(C(=O)Nc2cccn(CC(F)(F)F)c2=O)CCC1=O 159515305 NOOZTUJITHGZMG-UHFFFAOYSA-N 330.266 0.957 70 20 ECID O=S1(=O)CC[C@H](NS(=O)(=O)Cc2noc3ccccc23)C1 218381135 JJHFFDOSVGDMAT-VIFPVBQESA-N 330.387 0.434 70 20 ECID CCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)F)cc1 838088510 YNGFJBJMTRICDI-UHFFFAOYSA-N 332.309 0.347 70 20 ECID N#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1079044827 POMKVJCUSJBLES-SUZMYJTESA-N 340.380 0.779 70 20 ECID O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)c1cc(S(=O)(=O)F)c[nH]1 1097873496 HJFDQLLFRVWAMJ-XWIASGKRSA-N 345.396 0.390 70 20 ECID C[C@H]1CN(CCN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C)O1 1263791262 NVRBDDCBSQLQSN-PHIMTYICSA-N 347.412 0.854 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCS(=O)(=O)C1 1350747445 LAEQJJBHPGLOMY-QMMMGPOBSA-N 338.382 0.322 70 20 ECID Cn1cc(N2CC[C@@H](N3CCO[C@](C)(c4cnn(C)c4)C3)C2=O)cn1 159379234 QQGAEGLDTFVLIR-WBVHZDCISA-N 344.419 0.507 70 20 ECID O=S(=O)(N[C@H]1CC[C@@H](CO)CC1)c1cnn([C@H]2CCOC2)c1 161355017 IIXCIBUQIIKCGE-AVGNSLFASA-N 329.422 0.674 70 20 ECID O=C(NCC1CCN(CCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1001835868 DPPOLOKFSYGJCV-UHFFFAOYSA-N 333.385 0.107 70 20 ECID CC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 959303505 ZGRIHADGQFFMSH-WCBMZHEXSA-N 331.369 0.517 70 20 ECID CC[C@@H](CN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)OC 1185730443 FJYYKKDUKYGOPF-MNOVXSKESA-N 347.412 0.902 70 20 ECID CN(C)C[C@@](C)(O)CNS(=O)(=O)c1ccccc1OC(F)F 161506862 XDZNGRKSJQUHQK-ZDUSSCGKSA-N 338.376 0.879 70 20 ECID NC(=O)c1cnn2c(C(=O)NCCN3CCCCCC3)ccnc12 159870200 OETWPEFDYWRJCH-UHFFFAOYSA-N 330.392 0.434 70 20 ECID Cn1nnc2c1CC[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C2 864243353 CSNMZTKWGONERO-SNVBAGLBSA-N 338.364 0.761 70 20 ECID NC(=O)c1csc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)n1 864243649 QSGALIHBVNENOF-UHFFFAOYSA-N 343.361 0.830 70 20 ECID C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCS(=O)(=O)F)C1=O 883953877 OKUQNHRZEXOBHJ-ZDUSSCGKSA-N 325.321 0.625 70 20 ECID CCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 964353853 HODCGVQQQZIOJB-VIFPVBQESA-N 347.368 0.040 70 20 ECID O=C(CC1CC1)N[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 973794658 YURTXZJIDMJBHC-AOOOYVTPSA-N 343.380 0.850 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOC2(CCOCC2)C1 1346641588 JEALGPGDGAKXOI-UHFFFAOYSA-N 332.353 0.695 70 20 ECID Cn1c(S)nnc1CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1263791223 MYICMXWLJGQJJX-UHFFFAOYSA-N 347.397 0.453 70 20 ECID O=C(O)C1=NO[C@]2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 1608589246 DMYNNKAJKYVYRA-GFCCVEGCSA-N 345.308 0.119 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)NC[C@@H]1CCC2(CNC2)O1 1580570178 PFICHZFJFBLJCS-LBPRGKRZSA-N 342.392 0.525 70 20 ECID CCC(=O)N1CC[C@H](C(=O)N2CCN(Cc3nc(C)no3)CC2)C1 161245808 TYJGHIYUICZIBQ-ZDUSSCGKSA-N 335.408 0.281 70 20 ECID CCS(=O)(=O)N1CCN(C(=O)c2cnn(CC(C)C)c2C)CC1 160236020 DSMNAKLKTNONRB-UHFFFAOYSA-N 342.465 0.955 70 20 ECID CN(C)CCN1CCC(CNC(=O)CN(C)[C@H]2CCSC2)CC1 160426686 UBKBWEGRUAYPBR-INIZCTEOSA-N 342.553 0.814 70 20 ECID CC(C)n1[nH]cnc1=NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460089258 DHNYESSXUZHVEJ-UHFFFAOYSA-N 348.381 0.740 70 20 ECID C[C@@H]1C[C@@H]1C(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355672 XQYAOFKQTBMBHQ-KCJUWKMLSA-N 343.380 0.612 70 20 ECID C[C@H](CCS(C)(=O)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1338389933 MRCTZYMUNBKADP-SSDOTTSWSA-N 326.371 0.226 70 20 ECID CCOC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1345451316 IVDZBBWTEGYFKO-UHFFFAOYSA-N 333.341 0.587 70 20 ECID COCc1nc2n(n1)C[C@@H](Nc1ncc(C(N)=O)cc1Cl)CC2 161358748 DDGJYSDLMOSKEF-VIFPVBQESA-N 336.783 0.999 70 20 ECID Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC(O)C3)C2)s1 161424739 KDAHICMEGVBVAH-LLVKDONJSA-N 344.458 0.660 70 20 ECID CCOC(=O)CNC(=O)c1cncc(I)c1 160299160 OQDVHGAHVCTRGD-UHFFFAOYSA-N 334.113 0.979 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)COCC(F)(F)F 160308990 QEONZAOODHDDNB-RKDXNWHRSA-N 332.344 0.399 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CCOC3(CCCC3)C2)co1 159710277 JUVYWSLVMIYIIB-UHFFFAOYSA-N 328.390 0.973 70 20 ECID CCN(CCCO)C(=O)[C@@H](CCSC)NS(=O)(=O)CC 160451322 RFRFLZHPPAAZEK-LLVKDONJSA-N 326.484 0.278 70 20 ECID C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1C(=O)C1CC1 1012133699 VHISDPDPQOEZEB-WPRPVWTQSA-N 343.380 0.802 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(CNCCCO)CC1 1206307041 ASQILNKNODMNRR-UHFFFAOYSA-N 347.412 0.497 70 20 ECID O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCNC1 160435054 XVETTZSQCABFRA-CABZTGNLSA-N 326.780 0.870 70 20 ECID COCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 947726851 TXKAFHKYMKIMNM-GHMZBOCLSA-N 347.412 0.902 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2C[C@H]1CN2CC1CC1 1032634309 MYUVHZPIYXUPJG-QWRGUYRKSA-N 327.381 0.982 70 20 ECID C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CC#N 947725932 GBWNHEWCJZDYES-UWVGGRQHSA-N 328.369 0.779 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC2(CCNC2=O)CC1 1352647884 SJCASVBSWNRLPD-UHFFFAOYSA-N 329.353 0.415 70 20 ECID CNC[C@@H]1CCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 161284307 KMLKILCRJVLZLH-NSHDSACASA-N 336.417 0.562 70 20 ECID Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(C)ncn2)cc1 161421778 VBTAPMNSFOOOMZ-UHFFFAOYSA-N 334.401 0.802 70 20 ECID Cn1nccc1NC(=O)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 160404187 NZZKNFPEFVESKT-NSHDSACASA-N 343.391 0.760 70 20 ECID NC(=O)NC1(C(=O)NCc2ccc(OCC(F)(F)F)nc2)CC1 160426351 HBTPNZPDBXXVLY-UHFFFAOYSA-N 332.282 0.840 70 20 ECID CC(C)c1nc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)c[nH]1 160831081 RQEXMBUEWLKYDW-UHFFFAOYSA-N 330.454 0.610 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H](N3CCCC3)C1)CC2 160980957 SMJCSMOFFFFRTL-UONOGXRCSA-N 348.451 0.619 70 20 ECID C[C@@H](O)C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1 159440001 PRTKPRXWMSELSO-UKRRQHHQSA-N 345.399 0.218 70 20 ECID COC[C@@H](C)N1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008547464 NTHBNWTZRVXESC-MNOVXSKESA-N 347.412 0.902 70 20 ECID O=C(N[C@H]1CC12CCN(CCO)CC2)c1cc(S(=O)(=O)F)c[nH]1 1016827805 ZKSMVWQUSSGGHM-LBPRGKRZSA-N 345.396 0.250 70 20 ECID C[C@@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 953621102 SNRXAMYERROCAM-KCJUWKMLSA-N 343.380 0.612 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(Cc2cnon2)C1 1043895594 GOWBNOWFONCJCX-UHFFFAOYSA-N 343.340 0.012 70 20 ECID Cc1nc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cs1 1133983036 VZTLQXGRUIOOPV-UHFFFAOYSA-N 346.409 0.957 70 20 ECID C[C@@H](O)CNCCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1175317887 SVPBUIMZPLAZBX-GHMZBOCLSA-N 349.428 0.932 70 20 ECID COCCCCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185730321 ANEQDBBDJFEMLX-LLVKDONJSA-N 347.412 0.904 70 20 ECID Cc1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(=O)n1C 1263791301 OVWLDSDKZJLYKH-UHFFFAOYSA-N 327.337 0.610 70 20 ECID CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 161032166 NXBPEWLXWMCZRZ-OLZOCXBDSA-N 337.424 0.950 70 20 ECID Cn1c(=O)oc2c(C(=O)NCC(=O)NCC(F)(F)F)cccc21 160186344 BPEQFZROEDBCCT-UHFFFAOYSA-N 331.250 0.540 70 20 ECID Cc1ccc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1 159866015 PIKYRLRHUNUHDW-UHFFFAOYSA-N 330.388 0.183 70 20 ECID CCOCCN1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 1114849128 KXPWGPDKCPZEKD-QWRGUYRKSA-N 345.396 0.369 70 20 ECID C[C@@H]1CCN(CC#N)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 968336846 XWJDIVAASMUKOF-SKDRFNHKSA-N 328.369 0.637 70 20 ECID CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 962562679 ZIOFAODHWVVIRC-QWHCGFSZSA-N 343.380 0.898 70 20 ECID C[C@H](O)CN1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 981977328 BUHYRINAMCHCPQ-JTQLQIEISA-N 333.385 0.202 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 161044752 YGQQVCSIKHJJMU-JQWIXIFHSA-N 342.342 0.831 70 20 ECID COc1ccc(Br)c(CC(=O)NCc2n[nH]c(=O)[nH]2)c1 161113419 GOJPFNOWDQNWHC-UHFFFAOYSA-N 341.165 0.728 70 20 ECID CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC[C@H]3CNC)ccc21 161312180 ISMFNJLIFTVDIK-LBPRGKRZSA-N 330.388 0.534 70 20 ECID COc1ccc(C(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)nn1 159707483 SQTYXDWBPWJIGZ-SNVBAGLBSA-N 332.364 0.696 70 20 ECID O=C1C[C@@H](C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CCN1 159722280 UEGBTRKFMACOEQ-JKSUJKDBSA-N 331.416 0.702 70 20 ECID COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(Br)cc1 159583922 TYJQHQUMFQFXNQ-NSHDSACASA-N 345.193 0.901 70 20 ECID CCOC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)CC1 217289105 LVTZNHVBLOAZDX-GFCCVEGCSA-N 326.397 0.479 70 20 ECID CCC(=O)N1CC([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1006898051 BRPZSHKPQLFAHM-QMMMGPOBSA-N 331.369 0.660 70 20 ECID CCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n[nH]1 1123742998 MNTUPVPBTVMQNA-UHFFFAOYSA-N 330.297 0.825 70 20 ECID CC(F)(F)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999952516 DNFMEUFSRKSFCL-UHFFFAOYSA-N 339.295 0.269 70 20 ECID C#CCN1C[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@]2(C)C1 1092023306 XUPKUOQZVQPDBF-ABAIWWIYSA-N 339.392 0.700 70 20 ECID O=C(NC[C@@H](C(=O)O)[C@@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1601457376 SZIVVJWNLDLMQX-VXNVDRBHSA-N 334.325 0.140 70 20 ECID C[C@H](O)CN1CCC(CN(C)S(=O)(=O)C[C@@H]2CCCCO2)CC1 161428759 WKVSYFUGONCRFX-HOCLYGCPSA-N 348.509 0.910 70 20 ECID C[C@H]1Cc2cc(S(=O)(=O)NC[C@](C)(O)CN(C)C)ccc2O1 161483929 RXSMIYWVKKYMEK-NHYWBVRUSA-N 328.434 0.601 70 20 ECID CCN1CCC[C@H]1CNC(=O)c1coc(S(=O)(=O)N(C)C)c1 160331233 MESLUBUHVBXBPQ-LBPRGKRZSA-N 329.422 0.744 70 20 ECID N#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1029478618 VEEPOVQXWHHVQW-UWVGGRQHSA-N 326.353 0.485 70 20 ECID CO[C@@H](C)CN1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961792875 WSEUZQMJLYXMSF-MVVXRAEJSA-N 345.396 0.368 70 20 ECID O=C(N[C@H]1C[C@@H](CNC(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 978488713 VSKWYEOAMKUORI-WAAGHKOSSA-N 343.380 0.708 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCCC[C@H](NCCO)C1 1088383570 HKCXCQMQWMDYJP-NSHDSACASA-N 347.412 0.640 70 20 ECID O=C(O)C1(O)CN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)C1 1608579287 INERXCKZYSFHAS-UHFFFAOYSA-N 334.281 0.030 70 20 ECID N[C@@H]1CCC[C@@H](NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)C1 160921823 COQIJKGGXZMCII-ZIAGYGMSSA-N 330.388 0.738 70 20 ECID COCCN(C)CCNC(=O)N1CCN(Cc2ccccn2)CC1 159977786 DBEKZJXCYOIXGT-UHFFFAOYSA-N 335.452 0.487 70 20 ECID CC(=O)N[C@@]12CCC[C@@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1014120852 LHZVGUWBOOTDLQ-GXTWGEPZSA-N 343.380 0.946 70 20 ECID CCC(=O)N(C)C1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1016131618 UWIONBQIGSYYIK-UHFFFAOYSA-N 331.369 0.802 70 20 ECID Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)CC2 864240441 WAYRXTCXTGWZIM-LLVKDONJSA-N 338.364 0.990 70 20 ECID O=C(NC[C@H]1CCN1C(=O)CC1CC1)c1cc(S(=O)(=O)F)c[nH]1 952163068 ORYOCDVIHDPWAO-SNVBAGLBSA-N 343.380 0.804 70 20 ECID C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1338069744 WLCWVLDUWVDBJY-MNOVXSKESA-N 345.396 0.608 70 20 ECID CNC(=O)C[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)F)cc1 1339060240 RCKJHMPJMGPSKL-SNVBAGLBSA-N 330.381 0.918 70 20 ECID CC(C)S(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1263790917 DOUQCZMJVUMNQK-UHFFFAOYSA-N 326.371 0.226 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOCC2(CCOCC2)C1 1516702426 XCEJRKZAPJWWIJ-UHFFFAOYSA-N 346.380 0.942 70 20 ECID Cn1ncc(NCCNS(=O)(=O)c2cccnc2)c(Cl)c1=O 161217354 MXKWNBDCEXDVRV-UHFFFAOYSA-N 343.796 0.219 70 20 ECID CCS(=O)(=O)N1CCC(C(=O)NCCCC(C)(C)CO)CC1 160380972 OMDAQIYMVFTGFJ-UHFFFAOYSA-N 334.482 0.963 70 20 ECID Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1C 159661953 TUINYUZQMWOWDY-HOTGVXAUSA-N 331.416 0.575 70 20 ECID N[C@@H]1CCC[C@H](NC(=O)Cn2cc(Br)ccc2=O)C1 161301110 BFENOWKJFRQUSW-MNOVXSKESA-N 328.210 0.997 70 20 ECID CCN1CC2(C[C@@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CO2)C1 1053926680 LEYGUHTZYDXBIQ-SECBINFHSA-N 331.369 0.266 70 20 ECID CCCNC(=O)[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1338295821 VAJKIYJFAFLIJV-SNVBAGLBSA-N 330.381 0.918 70 20 ECID NC(=O)NC1(C(=O)NCCCN2CCN(c3ccccc3)CC2)CC1 160123375 BZVFJACYGUQYFW-UHFFFAOYSA-N 345.447 0.516 70 20 ECID COC[C@H](O)CNS(=O)(=O)c1cnn(Cc2ccccc2)c1 160919727 LQMHJPCEXCXLDW-CYBMUJFWSA-N 325.390 0.217 70 20 ECID CC(=O)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1C 1018431433 YPBBBCODESYSLY-WPRPVWTQSA-N 331.369 0.802 70 20 ECID NC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)o1 864242800 RLZRPNMIIKHACI-UHFFFAOYSA-N 326.305 0.967 70 20 ECID CC(=O)N1CC[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 953447279 ZGALTXJVBPJYMD-GWCFXTLKSA-N 343.380 0.756 70 20 ECID CC#CCN1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961785203 CPFCEJZHZQCTMY-PJXYFTJBSA-N 325.365 0.356 70 20 ECID CC(=O)c1cccc(S(=O)(=O)NCC2CCN(CCO)CC2)c1 161408864 KUWOWYUXMIGTNU-UHFFFAOYSA-N 340.445 0.872 70 20 ECID CSCC[C@H](N)C(=O)NCCNC(=O)c1c(F)cccc1F 160020224 OQJYUOSVFQXYNW-NSHDSACASA-N 331.388 0.891 70 20 ECID COCCCNC(=O)CN(C)CC(=O)NCc1cc(F)cc(F)c1 159476016 LFAUWKRBKOAATJ-UHFFFAOYSA-N 343.374 0.666 70 20 ECID COC(=O)[C@@]1(C)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1454698724 BFYFZXQODUBAJG-SDBXPKJASA-N 332.353 0.944 70 20 ECID Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3(C)CCOCC3)ccc21 161071288 MVLNEYQMMLUIEE-UHFFFAOYSA-N 339.417 0.724 70 20 ECID CC(C)C(=O)NC[C@H]1CCCN(C(=O)CNC(=O)c2cccnc2)C1 160413924 IQRGGJJKHNWASY-CQSZACIVSA-N 346.431 0.822 70 20 ECID COCCCS(=O)(=O)NCC(=O)N(C)Cc1cccc(F)c1 160574291 XFDXLSZNLLLHOU-UHFFFAOYSA-N 332.397 0.740 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H](COC)C1)CC2 160687789 HBHDILMKHWVIRJ-STQMWFEESA-N 337.424 0.807 70 20 ECID O=C1CC[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)N1 159802759 IFFUVEFVAPLXNE-RYUDHWBXSA-N 339.754 0.979 70 20 ECID CNS(=O)(=O)c1ccc([C@H](C)NCCN(C)CCOC)cc1 159419507 BYEKLNREYIRZLG-ZDUSSCGKSA-N 329.466 0.824 70 20 ECID N#Cc1cncc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1094126402 KXKXIIFESJTVAV-UHFFFAOYSA-N 338.324 0.176 70 20 ECID O=C(CCc1ccc(S(=O)(=O)F)cc1)N1CCn2cnnc2C1 1354642821 WNGIMVCOYHWSDZ-UHFFFAOYSA-N 338.364 0.911 70 20 ECID CNS(=O)(=O)c1cc(C(=O)NC2CCN(C3CC3)CC2)co1 161294425 SWRIISUZCBIEGH-UHFFFAOYSA-N 327.406 0.544 70 20 ECID CS[C@@H](C)CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 159841910 YQTQKQMHSVFKRR-QWHCGFSZSA-N 330.498 0.980 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](Nc2ncccn2)C1 1056780606 IOPASZBPVQKXRZ-SECBINFHSA-N 339.352 0.790 70 20 ECID CC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1C 1004290306 KUQZJVJFIANVCS-QPUJVOFHSA-N 331.369 0.660 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](NCc2cnon2)C1 969991530 JSOOOWBHWNRRSS-MRVPVSSYSA-N 343.340 0.060 70 20 ECID CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1336961915 QAZSKMLPGRMUKZ-LDYMZIIASA-N 347.368 0.039 70 20 ECID O=C(NCCn1cccc1)C(=O)Nc1cccnc1N1CCOCC1 160138984 JNOMLHJQJYYTMO-UHFFFAOYSA-N 343.387 0.475 70 20 ECID C[C@@H](NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CCC1 160893776 CBHWVBDHQRRCAD-SECBINFHSA-N 331.376 0.942 70 20 ECID CC[C@@H](NC(=O)CCNC(N)=O)[C@H]1CN(Cc2ccccc2)CCO1 159649077 BVBMXFIIQTZDPE-HZPDHXFCSA-N 348.447 0.841 70 20 ECID COCCCN1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 1114839424 AGYAPRICNSCIBL-PJXYFTJBSA-N 345.396 0.369 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CN(C)CCN1C 1123690055 RZEXZPWKMUPISX-JOYOIKCWSA-N 332.401 0.037 70 20 ECID CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1336949279 KTVAWJYIUZGMEY-VIFPVBQESA-N 335.382 0.276 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C)N1CCO 1347339452 FTMDSUIMKHYIBA-AOOOYVTPSA-N 333.385 0.200 70 20 ECID NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1519746380 VOTFOTCROGVIPY-HDBBIHSSSA-N 329.353 0.399 70 20 ECID O=C(NC[C@H]1[C@@H](C(=O)O)C1(F)F)c1cc(S(=O)(=O)F)c[nH]1 1601528953 ASJDCQFLWRAIDV-FSPLSTOPSA-N 326.252 0.369 70 20 ECID CN(C)[C@H]1CN(c2ccc(S(=O)(=O)F)cn2)C[C@@H]1n1ccnn1 1550634911 RXWOGZQCWWLVPC-RYUDHWBXSA-N 340.384 0.323 70 20 ECID Cc1cc(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)ncn1 161460679 ZJCMJFSWASIFNT-HNNXBMFYSA-N 345.447 0.944 70 20 ECID Cc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1N(C)C 161472342 SZPJNNZOMJKRCT-OAHLLOKOSA-N 329.466 0.652 70 20 ECID Cn1nnnc1SCCC(=O)Nc1cccc(S(=O)(=O)F)c1 460088282 CFCNQPPUUHGRTI-UHFFFAOYSA-N 345.381 0.989 70 20 ECID N#CCN[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1034737185 SYGNPIZRZPVKQX-MGCOHNPYSA-N 328.369 0.827 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 945078808 GGYQBDQWVJOALA-GZMMTYOYSA-N 331.369 0.660 70 20 ECID CO[C@H](CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCC1 1133981481 QEWZLXHXAAYNTO-CYBMUJFWSA-N 347.412 0.807 70 20 ECID O=C(NCCNCCC(F)(F)F)c1cc(S(=O)(=O)F)c[nH]1 1133975858 BXYCVTBMLGJGLF-UHFFFAOYSA-N 331.291 0.945 70 20 ECID CC(=O)c1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 161403118 OWGVTCVWECZSOY-UHFFFAOYSA-N 340.445 0.872 70 20 ECID CN[C@H]1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)C1 160605321 MAQULZDGMSBAHP-JTQLQIEISA-N 338.458 0.810 70 20 ECID C[C@@H](O)CN1CCC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1006004291 NUCPQEQCFHOHDS-SNVBAGLBSA-N 347.412 0.590 70 20 ECID C[C@H](O)CN[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1034737311 VVDIRSDMNGRRPH-DCAQKATOSA-N 347.412 0.684 70 20 ECID CC(=O)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 959595923 CZAUSZYDPIWQAO-WCBMZHEXSA-N 331.369 0.517 70 20 ECID CC[C@H](F)C(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164287 QJIMGKRSMPPVGN-WPRPVWTQSA-N 349.359 0.752 70 20 ECID COC[C@@H](C)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1215571206 FAOYEULCBHAAOJ-GIPNMCIBSA-N 347.412 0.758 70 20 ECID CC(=O)N1CCN(C(=O)/C=C/C(=O)Nc2ccc3[nH]ncc3c2)CC1 161152818 WCIVYGIPWMEGDN-SNAWJCMRSA-N 341.371 0.748 70 20 ECID CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cnc(C(F)(F)F)nc2)O1 159896999 QYILNCVZDHFJBJ-ZJUUUORDSA-N 346.309 0.861 70 20 ECID C[C@H](NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ncccn1 1133980788 BCTZQGDSOYAPOK-VIFPVBQESA-N 341.368 0.544 70 20 ECID CCN[C@H](C)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 979395557 WZINVJKVKNGHJK-SKDRFNHKSA-N 333.385 0.512 70 20 ECID N#Cc1cccnc1NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1094126774 VNYPDTOAPUFTAE-UHFFFAOYSA-N 337.336 0.781 70 20 ECID NC(=O)c1csc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1338820101 ULBXAQATNYAYDJ-UHFFFAOYSA-N 332.338 0.158 70 20 ECID C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1338069746 WLCWVLDUWVDBJY-WDEREUQCSA-N 345.396 0.608 70 20 ECID Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCC(C)(C)N)CCCC1 160005751 RCUWOKNIGMRDTQ-UHFFFAOYSA-N 335.452 0.933 70 20 ECID CN(CCc1ccccn1)C(=O)CNC(=O)N(C)C[C@@H]1CCC[C@H]1O 160611101 WPNKUGNTAWZSPX-GOEBONIOSA-N 348.447 0.885 70 20 ECID CCCCN(Cc1nncn1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 160741641 OUMSKQRRFUPPHZ-UHFFFAOYSA-N 349.439 0.710 70 20 ECID CNC(=O)[C@H]1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1 159758048 BULMZEFIPNGBOO-NSHDSACASA-N 348.378 0.954 70 20 ECID COCCN1CCC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1006004228 MMEKPCNRVIHEFQ-UHFFFAOYSA-N 347.412 0.856 70 20 ECID COCCN1CC[C@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046629018 VGYSKTQRVQMOIS-ZDUSSCGKSA-N 333.385 0.514 70 20 ECID CCOCCNC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1202538995 HBDVTQSJFBERNU-UHFFFAOYSA-N 347.412 0.904 70 20 ECID CN(C)C(=O)CN1CCC(NC(=O)N(C)C[C@H]2CCC[C@H]2O)CC1 161093071 GTYVVDVDKFTHDN-UKRRQHHQSA-N 340.468 0.341 70 20 ECID O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)N2CC(O)C2)C1 161422330 XFTACDBYRHWOTG-CQSZACIVSA-N 332.400 0.897 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCC[C@]1(C)CO)CC2 160605649 QLXSSBWLJCQOQE-BFQNTYOBSA-N 337.424 0.590 70 20 ECID O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCOC2(CCCC2)C1 159735872 QSOZYRUKLZXQSY-CYBMUJFWSA-N 330.450 0.325 70 20 ECID CC(=O)N1CC2(CCCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 1010449752 FPXBJOBCALNNRU-UHFFFAOYSA-N 343.380 0.757 70 20 ECID Cc1conc1NC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 160113758 PCUBAMGLOCYOBZ-VXGBXAGGSA-N 338.408 0.926 70 20 ECID CC(=O)N1CC[C@H](NC(=O)CCn2c(=O)n(C)c3ccccc32)C1 159377936 ONTXWHXAUXWOJK-ZDUSSCGKSA-N 330.388 0.467 70 20 ECID CC#CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033430646 ZMJFKDVNNGAXSK-LLVKDONJSA-N 327.381 0.843 70 20 ECID CC[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1000297575 VGZSEANANSDPNH-LDYMZIIASA-N 343.380 0.660 70 20 ECID COCCN1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808102 ATIWPOZOPLYPJX-SNVBAGLBSA-N 333.385 0.371 70 20 ECID C[C@@H](O)CN1CCCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1034404404 RJGUJAOVKWVISO-MNOVXSKESA-N 347.412 0.638 70 20 ECID COC[C@H](C)N1CC([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970437150 OMNDJVHMYVRKBQ-VHSXEESVSA-N 347.412 0.758 70 20 ECID C[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CC#N 1071828454 OTFDDPLJIFVRGG-ZJUUUORDSA-N 328.369 0.779 70 20 ECID CCCNC(=O)CN1CCC(NC(=O)N2CCO[C@H](C)[C@@H]2C)CC1 160121398 SCKJITDIRNBLII-UONOGXRCSA-N 340.468 0.796 70 20 ECID COC[C@H](O)CNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 159463663 WYIABUNZMYLRAK-LLVKDONJSA-N 335.335 0.417 70 20 ECID CCOC(=O)C1CCN(C(=O)CN(C)C[C@@H]2CCC[C@@H]2O)CC1 159466119 RZCHEYKLTTUSMD-GJZGRUSLSA-N 326.437 0.881 70 20 ECID C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1052715122 AIRVDJDHROXGEX-LLVKDONJSA-N 327.381 0.890 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1121138550 CVMMYZLOFNYTET-SKDRFNHKSA-N 349.405 0.816 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H](C)S1(=O)=O 1349611930 SYKREFIVGCRYTK-YUMQZZPRSA-N 338.382 0.321 70 20 ECID COC[C@@H](O)CCNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 161246425 DOTMAXJRUOZFDE-DLBZAZTESA-N 336.432 0.791 70 20 ECID O=C(NC[C@H](O)CN1CCCCC1)c1cnc2ccccn2c1=O 160690134 BXDRRONLLPQXRE-ZDUSSCGKSA-N 330.388 0.271 70 20 ECID CC(=O)c1cc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)n(C)c1 160719175 MWNVICLPELVHPE-DGCLKSJQSA-N 341.433 0.675 70 20 ECID C#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1016826627 QLACVTPVJPWDKV-ZDUSSCGKSA-N 339.392 0.890 70 20 ECID C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1354885405 MVLZZNCYVHWKGA-UHFFFAOYSA-N 341.364 0.275 70 20 ECID CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 159704409 RWVLZKFZVOIRKH-WZRBSPASSA-N 328.438 0.782 70 20 ECID CC(=O)N1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1015237789 FAJXKROAXYPPFZ-LDYMZIIASA-N 331.369 0.802 70 20 ECID COCCN(CC(=O)OC)C(=O)c1cccc(S(=O)(=O)F)c1 1262732477 IYADLVCTSHNPMY-UHFFFAOYSA-N 333.337 0.606 70 20 ECID CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 979945351 SFZRSSWVPXCICJ-YUSALJHKSA-N 343.380 0.660 70 20 ECID NCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 160113241 KFMLDDLSJQGHBO-UHFFFAOYSA-N 345.490 0.930 70 20 ECID O=C(NC[C@@H]1CCCS1(=O)=O)N1CCN(CC(F)F)CC1 159839688 URZBKVJCVARSLN-JTQLQIEISA-N 325.381 0.156 70 20 ECID Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCOCC2)cn1 159931608 CXXNBMZRVLACPK-HNNXBMFYSA-N 334.420 0.802 70 20 ECID O=C(NCCN1CCNC1=O)c1cc(S(=O)(=O)F)ccc1Cl 1340810095 HZQSLVQQNCEFAH-UHFFFAOYSA-N 349.771 0.753 70 20 ECID CN(C)C(=O)O[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1520006634 JIBRMTMMFRSHJP-VIFPVBQESA-N 347.368 0.976 70 20 ECID N[C@@H]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2)C1 161163204 VPDQMPDRZICHFL-OLZOCXBDSA-N 325.434 0.741 70 20 ECID CC(C)C(=O)N(C)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 953762020 IVLJPBZOWMGUQT-UHFFFAOYSA-N 331.369 0.612 70 20 ECID O=C(NC[C@@H]1CN(CC2CC2)C[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1 958413809 USRNCNCFRCTZSO-MFKMUULPSA-N 345.396 0.105 70 20 ECID CCN1CC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CCO2 1053433920 QGLHLDBQPAYVNE-UHFFFAOYSA-N 331.369 0.220 70 20 ECID CC(C)NC(=O)CNC(=O)CCc1ccc(S(=O)(=O)F)cc1 1336549180 VOKGTRJJGZKIEV-UHFFFAOYSA-N 330.381 0.918 70 20 ECID CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCC[C@H](N)C2)c1 161346341 IYYCONZFMSAZIB-RYUDHWBXSA-N 325.434 0.903 70 20 ECID CC(C)n1nccc1NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 160199562 PXIMBKVHBJFFGN-NSHDSACASA-N 329.426 0.867 70 20 ECID C[C@H](CO)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 160476250 OQKICTJORRWLQO-VIFPVBQESA-N 334.825 0.949 70 20 ECID CN[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 160554258 ZODCVDYZYLMGOZ-SNVBAGLBSA-N 347.387 0.454 70 20 ECID CCCN(C(=O)CN1CCNCC1=O)[C@H]1C[C@H](OCC)C1(C)C 160631833 WLKBNTFSVRIIFL-KBPBESRZSA-N 325.453 0.860 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nnc3ccccn23)co1 160896095 KIFSBQOBESACAY-VIFPVBQESA-N 349.372 0.721 70 20 ECID CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2cnc(C(F)(F)F)nc2)O1 159897093 QYILNCVZDHFJBJ-NXEZZACHSA-N 346.309 0.861 70 20 ECID CC(C)=CC(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004489665 OEGDDIXCUYTTMB-UHFFFAOYSA-N 343.380 0.827 70 20 ECID CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958412413 DAGXXKXPTYOVDL-JOYOIKCWSA-N 333.385 0.105 70 20 ECID CCN(CCCO)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1155306838 KZGKUBLATJXVNX-SNVBAGLBSA-N 335.401 0.496 70 20 ECID CC(C)CCN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1083786182 NVWHWSJYHVGKFD-OLZOCXBDSA-N 347.412 0.494 70 20 ECID Cn1nnc2c1CC[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C2 1338944923 ULVQNEGMDJFYSZ-SNVBAGLBSA-N 338.364 0.761 70 20 ECID COC(=O)N1CCC(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1 161087793 XFGRBDWTENVSMC-UHFFFAOYSA-N 332.360 0.827 70 20 ECID Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2nocc2C)cc1F 160135638 LOVZRGBOAJUOKS-UHFFFAOYSA-N 348.334 0.915 70 20 ECID COCCNCC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 160400151 ODLDPXINVFPPDH-CYBMUJFWSA-N 325.796 0.798 70 20 ECID N[C@@H]1CCC[C@H](NC(=O)c2nc3ncc(Br)cn3n2)C1 160857439 MDBPTWMILLENTG-BDAKNGLRSA-N 339.197 0.887 70 20 ECID CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccccc1-n1ccnn1 159827143 CIBNABJKHZFVMQ-TZMCWYRMSA-N 329.360 0.890 70 20 ECID CC(=O)N[C@@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)C(C)C 159647003 MEPQQRGLDSTARD-OAHLLOKOSA-N 327.469 0.964 70 20 ECID CC(C)C(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 937693986 UQZKYDXWQNVGNV-VIFPVBQESA-N 331.369 0.660 70 20 ECID O=C(NCCCNC[C@@H]1CCCOC1)c1cc(S(=O)(=O)F)c[nH]1 1166871556 JKWZSKKVTXDBGJ-NSHDSACASA-N 347.412 0.809 70 20 ECID Cn1nccc1CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166871957 YYCKPMBATALCKD-UHFFFAOYSA-N 343.384 0.316 70 20 ECID O=C(NCCCNCc1nncs1)c1cc(S(=O)(=O)F)c[nH]1 1166871535 IUIZGNQWDVDEPV-UHFFFAOYSA-N 347.397 0.434 70 20 ECID O=C(CNC(=O)c1ccc(C(=O)NC2CC2)cc1)NCC(F)(F)F 160186616 XSSIZFVDUDAMGY-UHFFFAOYSA-N 343.305 0.987 70 20 ECID CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cnn(CC(C)C)c2)C1 160635709 KAYGYIKYZJUURH-LBPRGKRZSA-N 329.426 0.695 70 20 ECID COC(=O)CNC(=O)[C@@H](C)N1CCO[C@]2(CCc3ccccc32)C1 159406315 LSKOPDBOCCXJJV-FZKQIMNGSA-N 332.400 0.838 70 20 ECID CC(C)CN(CC(N)=O)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 159719469 FPAFXSBORIUYGN-CYBMUJFWSA-N 332.404 0.400 70 20 ECID O=S(=O)(Cc1ccon1)NC[C@@H](O)COc1ccc(F)cc1 159972140 ZJRDUEUZGHJUHO-GFCCVEGCSA-N 330.337 0.673 70 20 ECID CC(=O)N1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1020638840 CUHZXFUQFAMUBV-MWLCHTKSSA-N 345.396 0.907 70 20 ECID CCO[C@@H](CCN(C)C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348036746 ZLPBZIKESSTMIO-JTQLQIEISA-N 335.401 0.760 70 20 ECID C/C=C(/C)C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004490633 XRXLMCDYLYTWLZ-OQFOIZHKSA-N 343.380 0.827 70 20 ECID O=C(c1cccc(S(=O)(=O)F)c1)N1CCOC[C@]12CCOC2 1337360990 NATXBSUBXUFHLY-CQSZACIVSA-N 329.349 0.976 70 20 ECID Cn1c(=O)[nH]c2cc(C(=O)NC[C@@H](O)CN3CCCCC3)ccc21 160322311 LXCRWAXPXHGDDP-CYBMUJFWSA-N 332.404 0.443 70 20 ECID CN1CCN(CC(=O)N(C)CC(C)(C)CN2CCOCC2)CC1 160346553 BTJOTABNKXEXGH-UHFFFAOYSA-N 326.485 0.051 70 20 ECID CC[C@@H](NC(=O)N1CCCN(CC)CC1)C(=O)N1CCOCC1 159960030 YPCOXPMBRLOHBG-CQSZACIVSA-N 326.441 0.361 70 20 ECID CCCC(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355238 KOCFEGISLIKRMR-UHFFFAOYSA-N 331.369 0.756 70 20 ECID CC(C)(F)C(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952162630 DZJXGUOQIPKWKD-QMMMGPOBSA-N 349.359 0.752 70 20 ECID CC(C)(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)S(C)(=O)=O 1336961939 QUUAWPUOEMEDAK-UHFFFAOYSA-N 326.371 0.226 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@@H](NC(C)=O)C2)c1CC 160324061 XLUTXNDLEXSKCG-GFCCVEGCSA-N 349.435 0.705 70 20 ECID CCCN1CCCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1073769441 HGVPCJCKKMJNBY-NSHDSACASA-N 347.412 0.904 70 20 ECID CCC(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 987177105 MEOQORBGZRDUEY-SCZZXKLOSA-N 331.369 0.802 70 20 ECID Cc1ccc(S(=O)(=O)N2CCN(Cc3nncn3C)CC2)cc1 160681942 UKGLPTMPAMHYIB-UHFFFAOYSA-N 335.433 0.630 70 20 ECID CC(C)c1cc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)n(C)n1 160732261 PSWVBNVEECSGGQ-NEPJUHHUSA-N 342.465 0.991 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)CC2 159802222 ZVTZYVGABFVUBF-VXGBXAGGSA-N 337.424 0.996 70 20 ECID C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@H](c2ccccc2)O1 216869296 NBRKUJPAXZSRCU-JSGCOSHPSA-N 331.372 0.917 70 20 ECID N#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 1026359602 FDCBLMWCRDOTGO-ZMLRMANQSA-N 340.380 0.637 70 20 ECID C[C@@H](O)CN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141755 POVMUOSHHFFUDE-NXEZZACHSA-N 333.385 0.248 70 20 ECID COCC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOCC1 1121184566 FJZZENJZZJLDJH-UHFFFAOYSA-N 334.369 0.846 70 20 ECID C[C@H](O)CCCNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166871827 SYXGDSIKHSQAIJ-JTQLQIEISA-N 335.401 0.543 70 20 ECID O=C(Cc1cccnc1)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1347458750 YJTNWGMPQCKJGD-UHFFFAOYSA-N 326.309 0.072 70 20 ECID COC(=O)CCNC(=O)CN1CCC([C@H](O)C(F)(F)F)CC1 161259701 RZKRMSQJYBFPAO-LBPRGKRZSA-N 326.315 0.301 70 20 ECID CN1C[C@H](NS(=O)(=O)c2cnn(-c3ccccc3)c2)CCC1=O 160057335 UVRMDVHEAULQKT-GFCCVEGCSA-N 334.401 0.771 70 20 ECID CCN1CCCN(C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 159575699 NZZSMEQZRZLBFY-UHFFFAOYSA-N 332.470 0.148 70 20 ECID CCOCCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185731646 XYSHYXOBXTWGGQ-SNVBAGLBSA-N 333.385 0.514 70 20 ECID O=S(=O)(F)c1ccc(NCC23COCCN2CCOC3)nc1 1550635785 ZFZLKGZETASQSF-UHFFFAOYSA-N 331.369 0.253 70 20 ECID COCCC1(CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 161073262 IAVXGQAVMZAPFY-UHFFFAOYSA-N 338.452 0.409 70 20 ECID Cc1ccoc1C(=O)NCCCNC(=O)C(=O)Nc1ccc(F)nc1 161264915 HZIXZYWRQJGKBC-UHFFFAOYSA-N 348.334 0.997 70 20 ECID CCNC(=O)CNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C 160059162 TVXSDLRHXWZPDY-UHFFFAOYSA-N 329.360 0.372 70 20 ECID Cc1oc(C(=O)N[C@H](CO)CC(C)C)cc1S(=O)(=O)N(C)C 160718563 IGBRLBRJOOCGRA-NSHDSACASA-N 332.422 0.975 70 20 ECID Cc1conc1NC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 160918595 ORJMSEFWMGDUOH-UHFFFAOYSA-N 348.334 0.536 70 20 ECID C[C@@H](O)C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1 159439729 PRTKPRXWMSELSO-HIFRSBDPSA-N 345.399 0.218 70 20 ECID COCCNC(=O)CNC(=O)c1cnc(-c2ccccc2)nc1C 159765168 JQHOSRGAOQNTOS-UHFFFAOYSA-N 328.372 0.944 70 20 ECID C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCS1(=O)=O 1348405493 LUNULLCSJVJYFX-MRVPVSSYSA-N 338.382 0.322 70 20 ECID C[C@H]1CN(C(=O)COC(=O)c2ccc(S(=O)(=O)F)cc2)CCO1 838088298 RYRSFTLPULSCGA-JTQLQIEISA-N 345.348 0.749 70 20 ECID COC[C@H](C)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015719473 NTZFKXQMNXXLEK-UWVGGRQHSA-N 333.385 0.512 70 20 ECID O=C(N[C@H]1CCN(C[C@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1015715801 GKRXODAHPNVYKP-MNOVXSKESA-N 345.396 0.514 70 20 ECID O=C(N[C@H]1C[C@H](CNC(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 979388432 VSKWYEOAMKUORI-CZMCAQCFSA-N 343.380 0.708 70 20 ECID N#CCNC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1201418475 AOTXWQXEAWYNOO-JTQLQIEISA-N 344.368 0.017 70 20 ECID CC(=O)N1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 975550140 WHWNAOXYOAUIIP-SNVBAGLBSA-N 331.369 0.661 70 20 ECID CC(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)[C@H](C)C1 1337303747 UXTVDVVUFOUSLQ-LLVKDONJSA-N 342.392 0.967 70 20 ECID Cc1nc(C[C@H]2CCCN(C(=O)N[C@H]3CCc4ncnn4C3)C2)no1 161311749 GKERUFLHHSFDCI-OLZOCXBDSA-N 345.407 0.949 70 20 ECID CCC(CC)(CNC(=O)N[C@H](C)CN1CCN(C)CC1)C(=O)OC 159856902 OYOVPADUPUFQDB-CQSZACIVSA-N 342.484 0.901 70 20 ECID O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1Cc2ccccc2CN1 159860889 DOFIMHNTJNIQJL-OLZOCXBDSA-N 341.333 0.980 70 20 ECID COC[C@H](O)CNC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 159487482 SGLHNIDGAPTVRO-CQSZACIVSA-N 347.419 0.562 70 20 ECID O=C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]2CCCC[C@H]2N1 1123650178 YUDHXLUJHXMXPB-KOLCDFICSA-N 329.353 0.556 70 20 ECID O=C(NC[C@H]1CCCS1(=O)=O)c1cccc(S(=O)(=O)F)c1 1338066681 CVGGVOFSLIRNFN-LLVKDONJSA-N 335.378 0.652 70 20 ECID COC[C@H](O)CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 161201511 KICKZXZEMVLYPF-XJKSGUPXSA-N 336.436 0.914 70 20 ECID Cc1c(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cccc1C(F)(F)F 161319076 UJNGUDGVTSJYDT-SNVBAGLBSA-N 347.337 0.991 70 20 ECID Cc1c(C(=O)NCc2cccs2)cnc2c1c(=O)n(C)c(=O)n2C 159381440 GEFKTDDEYSZOIZ-UHFFFAOYSA-N 344.396 0.932 70 20 ECID COC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 217286303 CWPKXKOROQPPHF-LLVKDONJSA-N 326.397 0.479 70 20 ECID CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1 864241382 TYIILWQTCILXRY-VXGBXAGGSA-N 328.365 0.989 70 20 ECID C#CCN1CCCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1073769528 JGSNLJFXPLFYFA-LLVKDONJSA-N 343.380 0.127 70 20 ECID COCCNC(=O)Cn1cc(NC(=O)c2ccnn2C(C)C)cn1 159992700 XCHRZNJUIOTYEO-UHFFFAOYSA-N 334.380 0.675 70 20 ECID N#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 1026359588 FDCBLMWCRDOTGO-ADEWGFFLSA-N 340.380 0.637 70 20 ECID C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC 1123828613 HQUILZRGIFQSMV-JTQLQIEISA-N 334.325 0.147 70 20 ECID COC[C@@H](C)N[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209678367 LYGRFYMOLDJJKU-MNOVXSKESA-N 347.412 0.902 70 20 ECID C[C@H]1C[C@@H]1CC(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999094453 FHGFDORVQGIPTB-DTWKUNHWSA-N 343.380 0.660 70 20 ECID C[C@H]1[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1CCO 993824847 MCGOVDABUQAGKN-GXSJLCMTSA-N 333.385 0.248 70 20 ECID CCCN(CC)c1ccc(C(=O)NCCCNS(C)(=O)=O)cn1 159611309 CXEOBPODMBVFNS-UHFFFAOYSA-N 342.465 0.987 70 20 ECID C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(N2CCN(C)CC2)nc1 159623235 FCKLSMFBEHRZEP-DZGCQCFKSA-N 332.452 0.314 70 20 ECID CC(=O)N1CCC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1019449940 KLOMSACVLGGFHX-UHFFFAOYSA-N 329.353 0.367 70 20 ECID CC(C)(F)C(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942441718 SCPIDPWUFCBUBN-MRVPVSSYSA-N 349.359 0.752 70 20 ECID C[C@]1(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)CCS(=O)(=O)C1 1120814537 CARAMTPEFOJJOA-ZDUSSCGKSA-N 349.405 0.581 70 20 ECID C[C@H](O)CN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1052716263 LBRNMXRENAFVRW-QWRGUYRKSA-N 347.412 0.638 70 20 ECID CC(=O)N1CCC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 983740110 RCYRIKLWCKSJAQ-JTQLQIEISA-N 331.369 0.756 70 20 ECID CC#CCN1CC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085820408 ZGLSUARIBOCOQM-LLVKDONJSA-N 327.381 0.843 70 20 ECID COCCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 993825933 PLTCEGSBLNKFLQ-JQWIXIFHSA-N 347.412 0.902 70 20 ECID CCO[C@@H]1C[C@](O)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1(C)C 1519746390 VPOYZWFLIOPCGN-RISCZKNCSA-N 348.396 0.969 70 20 ECID C[C@@H]1CN(S(=O)(=O)NC[C@H](O)Cc2ccccc2)[C@H](C)CO1 161076921 SJJZVAILOWVGSZ-UMVBOHGHSA-N 328.434 0.534 70 20 ECID CN(CC(=O)N1CCOCC1)S(=O)(=O)Cc1c(F)cccc1F 160132249 MNEOSPODNRWPKF-UHFFFAOYSA-N 348.371 0.585 70 20 ECID CCc1cc(O)nc(CN2CCN(CC(=O)N3CCCC3)CC2)n1 160558971 OYTWFAYAWZJOOB-UHFFFAOYSA-N 333.436 0.485 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N[C@H](CCO)C(C)C)CC2 160613874 ZBVSHRSKBXYMSY-VXGBXAGGSA-N 325.413 0.446 70 20 ECID O=C(NC[C@H]1CCCS1(=O)=O)N1CCO[C@@H](c2ccco2)C1 159648902 GLXKKHQDTLRZPY-DGCLKSJQSA-N 328.390 0.940 70 20 ECID COCCN(CCO)C(=O)Cn1cc(Br)ccc1=O 160605228 OFJDDIIGGWDSJU-UHFFFAOYSA-N 333.182 0.078 70 20 ECID COC[C@H](C)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1043897120 XNMDAGFASDWYQM-VIFPVBQESA-N 333.385 0.464 70 20 ECID N#CCN1CC[C@@]2(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CCC[C@@H]12 992188253 KXNAIFJLANMCFY-OCCSQVGLSA-N 340.380 0.923 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCNC[C@H]1C(F)F 1580570353 ZYIINHTYSUZFQP-NSHDSACASA-N 336.335 0.953 70 20 ECID O=C(Nc1ncc(S(=O)(=O)F)s1)c1coc(-c2nn[nH]n2)c1 1593268308 MKBAGKLZGSFOSA-UHFFFAOYSA-N 344.309 0.827 70 20 ECID CN(CCN(C)C(=O)OC(C)(C)C)Cn1nc2cnccn2c1=O 160535601 YWXLTZVSTNZYLS-UHFFFAOYSA-N 336.396 0.647 70 20 ECID O=C(CN1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1)NC1CC1 160695045 XHFKNBDRPZVBNF-MRXNPFEDSA-N 349.479 0.077 70 20 ECID CC(=O)N1CC[C@H](C(=O)N(C)CC(C)(C)CN2CCOCC2)C1 159622785 WZFBIROLMTVFQO-HNNXBMFYSA-N 325.453 0.672 70 20 ECID O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N[C@H]1c2ccccc2C[C@@H]1O 159889899 HEROBZVQDGFWJM-IVSAIRAKSA-N 342.395 0.936 70 20 ECID O=C(CNS(=O)(=O)c1cccs1)NC[C@H](O)c1ccsc1 159510327 FSRDTGRYDPRDNX-JTQLQIEISA-N 346.455 0.938 70 20 ECID CC[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCOC 1087728868 UVELKPMJFWYMSE-WCQYABFASA-N 347.412 0.902 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](N2CCCC2=O)C1 1346848684 KVYSUJGHZORZPQ-VIFPVBQESA-N 329.353 0.510 70 20 ECID O=C(NC[C@H]1CCCS(=O)(=O)C1)c1cc(S(=O)(=O)F)c[nH]1 1354887269 ZJAMVSBAGKVWFL-MRVPVSSYSA-N 338.382 0.228 70 20 ECID CN1CC[C@@H](NC(=O)CCc2ccc(S(=O)(=O)F)cc2)C1=O 1518009225 NUYLEXCDXPVXHT-GFCCVEGCSA-N 328.365 0.624 70 20 ECID CS(=O)(=O)c1nc(C(=O)N[C@@H]2CCC[C@H](N)C2)c2ccccn12 161068191 QHJLQUKLMBMNPQ-WDEREUQCSA-N 336.417 0.738 70 20 ECID O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCc1cccc(O)c1 160167770 NLUHKAJUMJXTQF-MGBSGCIJSA-N 340.379 0.858 70 20 ECID CC#CCN(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192396481 JFHOFRRQLRRJJC-NSHDSACASA-N 327.381 0.843 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)[C@@H]1CCN(C)C1=O 1340647539 LEEUJXXZMKSUKN-GFCCVEGCSA-N 328.365 0.956 70 20 ECID CN1N=C(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)CCC1=O 160642799 MOXBZTXRHFYEGO-GJZGRUSLSA-N 336.436 0.479 70 20 ECID O=C(c1cccc(O)c1)N1CCN(S(=O)(=O)CCCF)CC1 160835460 BSABREVFBNQYSM-UHFFFAOYSA-N 330.381 0.839 70 20 ECID CO[C@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952162902 KGBZGTRNEWPNPL-RKDXNWHRSA-N 347.368 0.039 70 20 ECID CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 959280271 CFFKRPRJLGHUME-PSASIEDQSA-N 331.369 0.660 70 20 ECID CCC(=O)N1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 982308223 AGXZPMBGYLVQFK-VIFPVBQESA-N 331.369 0.661 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)[C@@H]1COc2ccccc21 160615830 RTTKASCHOANCGU-YUTCNCBUSA-N 338.429 0.997 70 20 ECID C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942442566 TWMTWAPFNCNYEK-FXPVBKGRSA-N 343.380 0.660 70 20 ECID Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@H]2CCN(C)C2)c1C 160107486 COZSTCRYQCBQCQ-GFCCVEGCSA-N 325.434 0.632 70 20 ECID O=C1C[C@H](C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCN1 159660988 ACMUMMCLMPWNEL-QGZVFWFLSA-N 344.459 0.447 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1NCCO 1036194318 PCVCWEMMPRPIKY-KOLCDFICSA-N 333.385 0.105 70 20 ECID CC(C)C(=O)N1C[C@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 966171453 ACPPYQWVRXMLLP-CABZTGNLSA-N 345.396 0.906 70 20 ECID O=C(N[C@H](C(=O)O)c1cccnc1)c1cc(S(=O)(=O)F)c[nH]1 1601404530 XKSVTDNEMBFYQA-JTQLQIEISA-N 327.293 0.624 70 20 ECID CN1CCN([C@H]2CCN(c3ccc(S(=O)(=O)F)cn3)C2)CC1 1550640662 KBYIHYRJSZOYMJ-LBPRGKRZSA-N 328.413 0.566 70 20 ECID CC(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)C)C2=O)n1 160059638 JQUOMNSLQBKXCE-CYBMUJFWSA-N 349.435 0.993 70 20 ECID CN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C1 160526733 FZQKCYMOUHNYJH-LBPRGKRZSA-N 341.433 0.806 70 20 ECID CN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1CCC[C@@H]1O 159875179 MYYDAGVCEJTMIP-UWVGGRQHSA-N 325.331 0.857 70 20 ECID C#CCN1CC2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C1 1035797562 CYHJQKSDSDMADG-UHFFFAOYSA-N 339.392 0.844 70 20 ECID COC[C@@H](C)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015719475 NTZFKXQMNXXLEK-ZJUUUORDSA-N 333.385 0.512 70 20 ECID CC[C@H](F)C(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164285 QJIMGKRSMPPVGN-SCZZXKLOSA-N 349.359 0.752 70 20 ECID CN(C(=O)C1CCC1)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 953484961 RPQFCUHQDRNKMO-UHFFFAOYSA-N 343.380 0.756 70 20 ECID Cc1nnc(N2CCN(c3ccc(S(=O)(=O)F)cn3)CC2)n1C 1550630279 CRLJTWXUEJMWLH-UHFFFAOYSA-N 340.384 0.503 70 20 ECID COCCN(C)CCNC(=O)C(=O)Nc1cnc(Cl)cc1C 160418489 WBTGMGJLCJCLKB-UHFFFAOYSA-N 328.800 0.676 70 20 ECID O=C(C[C@@H]1CCCN1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 160980491 NKGRGRJKFOGZLN-GJZGRUSLSA-N 331.416 0.925 70 20 ECID Cc1ccc(NC(=O)C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)cn1 159926440 YMHKAGLONJQZEH-OKILXGFUSA-N 334.420 0.944 70 20 ECID O=C(CO)N1CCN(C(=O)Nc2cccc(N3CCCC3)c2)CC1 159963630 AJRSDSOIUUIYPR-UHFFFAOYSA-N 332.404 0.955 70 20 ECID O=C(NC[C@@H]1COC2(CCOCC2)O1)c1cc(S(=O)(=O)F)c[nH]1 1336961280 IHTLIZBJMVMRCQ-SECBINFHSA-N 348.352 0.325 70 20 ECID N[C@H]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2F)C1 161173101 GUZOVGZCCCLUEW-RYUDHWBXSA-N 343.424 0.880 70 20 ECID C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C(N)=O)C2)CN1Cc1ccccc1 160091787 DXSQGOUVWSPJRD-KBMXLJTQSA-N 346.431 0.545 70 20 ECID COc1ccc(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)nn1 160679972 PTFUMDLPEIRUTK-CABCVRRESA-N 334.420 0.983 70 20 ECID COc1ccnc(N2CCN(C(=O)/C=C/c3cnn(C)c3C)CC2)n1 160744392 UDFPCFPHXNAQNI-SNAWJCMRSA-N 342.403 0.889 70 20 ECID CCC(C)(C)NC(=O)[C@H](C)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 159433976 ZORFKAKSPQUHON-ZDUSSCGKSA-N 348.447 0.826 70 20 ECID Cc1cccc([C@@H]2CCCN2C(=O)NCCNS(C)(=O)=O)n1 159512766 BFQYKDNLTJPWTM-ZDUSSCGKSA-N 326.422 0.786 70 20 ECID CC(=O)N1C[C@H]2C[C@@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]1C2 958247734 SAVCATBTPQACRX-HBNTYKKESA-N 343.380 0.802 70 20 ECID COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H](C)O1 1123726744 CFMIXKRLVWIRAE-XVKPBYJWSA-N 334.325 0.075 70 20 ECID O=C(NCc1nnnn1CC1CC1)c1cccc(S(=O)(=O)F)c1 1354886422 SOWXIFVNAVUAOP-UHFFFAOYSA-N 339.352 0.671 70 20 ECID O=C(CNC[C@@H]1CCCO1)N1CCN(Cc2cccc(F)c2)C(=O)C1 161005497 GNMFQWUYIIXSBH-INIZCTEOSA-N 349.406 0.765 70 20 ECID C[C@@H](CO)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 160527907 CFJJTOKWNRNMLK-GHMZBOCLSA-N 332.447 0.646 70 20 ECID CN(CC(=O)NCCc1csc(C(C)(C)C)n1)S(C)(=O)=O 160735463 IRFVXOYOFGFFPL-UHFFFAOYSA-N 333.479 0.991 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H](N3CCCC3)C1)CC2 160980829 SMJCSMOFFFFRTL-ZIAGYGMSSA-N 348.451 0.619 70 20 ECID CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1000926656 ARNJVDMVVBOFDF-UISBYWKRSA-N 329.353 0.555 70 20 ECID CC(=O)NC[C@@H]1C[C@@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1010306277 KYRQKZBOBRQFMX-SCZZXKLOSA-N 331.369 0.660 70 20 ECID CC1(C)CN(CCO)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 975046455 GTPHLLOZZXLPCJ-NSHDSACASA-N 333.385 0.105 70 20 ECID CO[C@H](C)CN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1080458337 UAKWBSZBGJSVLS-GIPNMCIBSA-N 347.412 0.758 70 20 ECID C#CCN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]2C1 1088109845 CBQPUVZKDKSJDD-NEPJUHHUSA-N 339.392 0.700 70 20 ECID COCCCNC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1716784714 FVLJMOTXQYVYAU-LLVKDONJSA-N 347.412 0.904 70 20 ECID O=S(=O)(NCC1CCN(CCO)CC1)c1ccc2c(c1)CCO2 161385845 SSOSUBYCWDKGOC-UHFFFAOYSA-N 340.445 0.604 70 20 ECID CCCCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2CN)CC1 160203478 UYPCBNWJTHRFDB-CQSZACIVSA-N 331.482 0.778 70 20 ECID C[C@]1(O)CCCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 160610803 RWPWBNZKMVRJEZ-INIZCTEOSA-N 337.424 0.328 70 20 ECID O=C(CNC(=O)Cc1ccccc1)NCC1CCN(CCO)CC1 160720807 XBAMLSKCIYUHCT-UHFFFAOYSA-N 333.432 0.166 70 20 ECID CNC(=O)c1ccc(S(=O)(=O)N2CCC([C@H](C)O)CC2)cc1 160858935 FOZYYBLFLLDVRF-NSHDSACASA-N 326.418 0.828 70 20 ECID COCCN1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]2C1 1049065300 PWYKNHVTTJRTEE-PHIMTYICSA-N 345.396 0.323 70 20 ECID CC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 955455099 FJUQCIJAWRWXFJ-SCZZXKLOSA-N 331.369 0.802 70 20 ECID C[C@@H]1CCN(CCO)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 968333870 ARELUNKAJYLNGY-BXKDBHETSA-N 333.385 0.105 70 20 ECID CC[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CC#N 1087728108 DCEFYEZKCYWPRT-CMPLNLGQSA-N 328.369 0.779 70 20 ECID Cc1cc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)ncn1 1094126173 BOCNELZLRAKCIW-UHFFFAOYSA-N 327.341 0.613 70 20 ECID NC(=O)Cc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1 1336919553 ABIFKLUJMQDDCQ-UHFFFAOYSA-N 325.321 0.953 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCOC[C@@]12CCOC2 1349677649 BXUPRUBXJZZAOO-HNNXBMFYSA-N 343.376 0.905 70 20 ECID O=C(OCC(=O)N1CCCC1=O)c1cccc(S(=O)(=O)F)c1 1354183569 YTNNBMGDUDKRLB-UHFFFAOYSA-N 329.305 0.651 70 20 ECID O=C(c1cccc(S(=O)(=O)F)c1)N1CCN([C@@H]2CCOC2)CC1 1517958212 URGHXEOQYOFZEQ-CYBMUJFWSA-N 342.392 0.892 70 20 ECID O=C(NCC1CCN(CCO)CC1)c1ncn(-c2ccccc2)n1 160757115 WIWWNNMRFRFCEP-UHFFFAOYSA-N 329.404 0.701 70 20 ECID CCN1CCCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 159909896 ROXWNBSMLHTFOL-INIZCTEOSA-N 325.501 0.607 70 20 ECID CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 159762642 ZRLTYEYUWIFZNR-LBPRGKRZSA-N 327.743 0.837 70 20 ECID CC(C)CN(CC(N)=O)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O 159779542 FUHKTCXBCMCFSK-UHFFFAOYSA-N 346.387 0.050 70 20 ECID C#CCCN1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 981977375 FQMRKWHNXJSCNB-UHFFFAOYSA-N 327.381 0.844 70 20 ECID O=C(N[C@H]1CCC[C@@H](NCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 981340911 PZGKMGIQJXPGQT-ZJUUUORDSA-N 333.385 0.296 70 20 ECID CC(C)C[C@H](CO)NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 161102789 CARSEJSXZATPFZ-LLVKDONJSA-N 346.387 0.557 70 20 ECID O=C(Cn1nnc(-c2ccccc2)n1)NC[C@@H](O)COCC1CC1 159412004 PFAQAWLRQIBIHC-CQSZACIVSA-N 331.376 0.244 70 20 ECID COCC(=O)N1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1012172361 NAOJGKRAFHWXFZ-DTWKUNHWSA-N 347.368 0.039 70 20 ECID Cc1nc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c(C)o1 1133981694 YZPDIMUYBAGIAV-UHFFFAOYSA-N 344.368 0.797 70 20 ECID O=C(NCCNC[C@H]1C[C@@]12CCOC2)c1cc(S(=O)(=O)F)c[nH]1 1133981574 UHYUTHILRQNPAE-QMTHXVAHSA-N 345.396 0.419 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2CCN(CCF)C[C@H]21 1084669090 ZHNIVCPUYZAGBT-BXKDBHETSA-N 333.360 0.789 70 20 ECID C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1338250597 MBMCHBNJEBAMDY-YUMQZZPRSA-N 340.398 0.567 70 20 ECID NC(=O)c1ccc(S(=O)(=O)NC[C@H](O)Cc2ccccc2)cc1 161065420 FQVUNUDELUTCMQ-CQSZACIVSA-N 334.397 0.667 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 161297157 XXCYGSRQPLDNQE-HZMBPMFUSA-N 328.315 0.971 70 20 ECID CC[C@H](CCO)NC(=O)[C@H](CCSC)NS(=O)(=O)CC 160118284 OLCONFUEOOCAIW-MNOVXSKESA-N 326.484 0.325 70 20 ECID O=C(O)[C@@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)CCO1 849343911 WSAHWELYABRCCD-YFKPBYRVSA-N 343.226 0.231 70 20 ECID O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1cc(S(=O)(=O)F)c[nH]1 1121185494 RGFFOPPFVAGVFN-KWQFWETISA-N 329.353 0.556 70 20 ECID O=C(NC[C@H]1[C@@H]2CN(CCF)C[C@H]12)c1cc(S(=O)(=O)F)c[nH]1 978728199 UWLKLPKAMUKWIF-RTCCRHLQSA-N 333.360 0.550 70 20 ECID C[C@@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CC#N 1071828451 OTFDDPLJIFVRGG-NXEZZACHSA-N 328.369 0.779 70 20 ECID CC(=O)N1C[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]2C1 985593930 SUGNCKIFFHBOBZ-MNOVXSKESA-N 343.380 0.613 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)NCC1(S(C)(=O)=O)CC1 1518138525 IVJHEMOUJYLWKF-UHFFFAOYSA-N 349.405 0.960 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(F)(F)[C@@H](CO)C1 1521437614 IHHKOMZPCVWURE-SSDOTTSWSA-N 326.296 0.763 70 20 ECID CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 161135343 RGBIUZKHBXBLCD-LBPRGKRZSA-N 325.390 0.780 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2C[C@H]3[C@@H](C2)OCCN3C)c1CC 160353967 ZMQNRGSHFSKWSU-LSDHHAIUSA-N 349.435 0.119 70 20 ECID C[C@@]1(O)CCCN(C(=O)NCCN2CCN(c3ncccn3)CC2)C1 160651210 FULODAMIHPGBPE-QGZVFWFLSA-N 348.451 0.155 70 20 ECID CN[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)C1 160661123 POWWOXIQNVMQMM-CQSZACIVSA-N 339.461 0.744 70 20 ECID COc1ccc(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)nn1 160680347 PTFUMDLPEIRUTK-LSDHHAIUSA-N 334.420 0.983 70 20 ECID O=C(CNC(=O)c1ccco1)NC1CCN([C@H]2CCCC[C@H]2O)CC1 160754357 FZDUJXCJYMDNQI-LSDHHAIUSA-N 349.431 0.894 70 20 ECID NC(=O)CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1347457459 GYUZLGGTPBETMJ-SECBINFHSA-N 331.369 0.791 70 20 ECID C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCCO 947726468 OQKRYTKSIMNLOW-MNOVXSKESA-N 347.412 0.638 70 20 ECID O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1123828563 GXEUEHONZKGXJL-IONNQARKSA-N 326.296 0.951 70 20 ECID CCCCCN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1220366807 BZLHTJYGBSBZBO-OLZOCXBDSA-N 347.412 0.638 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H](n2ccnn2)C1 1354884241 CKTUBTXCMQQVMV-VIFPVBQESA-N 327.341 0.742 70 20 ECID O=C(C[C@@H]1CSCCN1)Nc1ncc(S(=O)(=O)F)s1 1580522270 FFAWPRCJPVIPSV-ZCFIWIBFSA-N 325.412 0.835 70 20 ECID CCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1cnn(C)c1 161133410 IDJSIPXEGHINOS-UHFFFAOYSA-N 333.436 0.323 70 20 ECID CC(C)CN(CC(N)=O)C(=O)c1cccc(C(=O)N2CCCC2)n1 160001916 PDSXTWMYQQQBGM-UHFFFAOYSA-N 332.404 0.901 70 20 ECID CC(C)C(=O)NC[C@@H]1CCCN(C(=O)CNC(=O)c2cccnc2)C1 160413798 IQRGGJJKHNWASY-AWEZNQCLSA-N 346.431 0.822 70 20 ECID Cc1nn(C)c(C)c1S(=O)(=O)N(CCS(C)(=O)=O)C(C)C 159685428 XFNKPFCRXJNUMQ-UHFFFAOYSA-N 337.467 0.481 70 20 ECID O=C(NC1C[C@@H]2CC[C@H](C1)N2CCO)c1cc(S(=O)(=O)F)c[nH]1 1021381172 DMNPNIXZJMTDNY-FGWVZKOKSA-N 345.396 0.390 70 20 ECID COC(=O)C1(C#N)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1121184764 HFHBNVYBXJQJBY-UHFFFAOYSA-N 343.336 0.592 70 20 ECID CN(C[C@@H]1CCN1C(=O)C1CC1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 978421474 YXEWSMYMVWUHHO-JTQLQIEISA-N 343.380 0.756 70 20 ECID C#CCCN1CC([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970423614 LPLBQPVXECRJSX-SNVBAGLBSA-N 327.381 0.746 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)NCCCn1cncn1 1337503509 SBCIECJLIHDOFQ-UHFFFAOYSA-N 326.353 0.685 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1n[nH]c2c1CCC2 160699154 FXQFWIHXFAHPHU-GXSJLCMTSA-N 326.422 0.346 70 20 ECID CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@@H]1CCN(C(C)=O)C1 159551006 NKIHMLVYCPWHGS-CFVMTHIKSA-N 338.452 0.944 70 20 ECID CCCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958413486 PKALFKXIVXSMDC-ZWNOBZJWSA-N 347.412 0.496 70 20 ECID O=C(N[C@@H]1COC2(C1)CN(CCF)C2)c1cc(S(=O)(=O)F)c[nH]1 1053926844 MROHLZBXUVUYNN-VIFPVBQESA-N 349.359 0.216 70 20 ECID CC(C)(F)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 972889753 URRBMSGCBMQEPP-ZKCHVHJHSA-N 349.359 0.798 70 20 ECID CN(Cc1ccccc1)C(=O)CNC(=O)CS(=O)(=O)C(C)(C)C 161248174 WBWYRBVZIIQJOA-UHFFFAOYSA-N 340.445 0.975 70 20 ECID Cc1cc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)ncn1 1133981540 RRSCFSRBQLIMJW-UHFFFAOYSA-N 341.368 0.291 70 20 ECID C#CCN(C)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 985652180 CIECNBLJMSOTOW-UHFFFAOYSA-N 327.381 0.843 70 20 ECID C=CCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090575679 HABWPOVEYHRHHI-YPMHNXCESA-N 345.396 0.414 70 20 ECID O=C(CCc1ccc(S(=O)(=O)F)cc1)NCCN1CCNC1=O 1337640974 UGUKSFLOJIYLOX-UHFFFAOYSA-N 343.380 0.419 70 20 ECID O=C(NCc1cn2c(n1)SCC2)c1cc(S(=O)(=O)F)c[nH]1 1548695739 NYCYEBKDAWZDRH-UHFFFAOYSA-N 330.366 0.905 70 20 ECID CC(C)OC[C@@H](C(=O)O)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1591709876 QBQXXEHSOBGXNF-JTQLQIEISA-N 336.341 0.623 70 20 ECID C#CCNC[C@]1(C)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1754705669 IIKHIDXPTSCBGB-AWEZNQCLSA-N 327.381 0.748 70 20 ECID CCCCNC(=O)Cc1noc(-c2coc(S(=O)(=O)NC)c2)n1 161339863 UMORNHLQJRVGCN-UHFFFAOYSA-N 342.377 0.697 70 20 ECID C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)C[C@@H]2CCCCO2)CC1 161428835 WKVSYFUGONCRFX-ZBFHGGJFSA-N 348.509 0.910 70 20 ECID Cc1nn(C)c(C)c1CC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 160237767 HIUFKQIIBXRMGS-OCCSQVGLSA-N 342.465 0.414 70 20 ECID CC[C@@H](NC(=O)N1CC[C@H](S(=O)(=O)NC)C1)c1ccncc1 160308980 FGGJABZUDFISLR-QWHCGFSZSA-N 326.422 0.866 70 20 ECID COCCS(=O)(=O)NCCNc1nccc(C(F)(F)F)n1 159597897 GRQIZKDAQJZXKR-UHFFFAOYSA-N 328.316 0.473 70 20 ECID COCCN1CC[C@H](C)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 968336038 QWTMVAJUWXUGDB-GXFFZTMASA-N 347.412 0.760 70 20 ECID CC(C)[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)N1CCCC1=O 160164705 MXCKWXBMSJMVJR-GDBMZVCRSA-N 325.453 0.596 70 20 ECID Cc1conc1NC(=O)C(=O)NCC(=O)NCCc1ccccc1 160888246 DBKBDEYPCDIDQO-UHFFFAOYSA-N 330.344 0.397 70 20 ECID C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CCOCC1 159807063 WMHJNXSNAIKFGX-GOEBONIOSA-N 337.464 0.814 70 20 ECID CCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090576235 KXQVBKOAMVNWQZ-ZYHUDNBSSA-N 333.385 0.248 70 20 ECID C[C@@H]([C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)S(C)(=O)=O 1338250595 MBMCHBNJEBAMDY-SFYZADRCSA-N 340.398 0.567 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](C)N1CCOCC1 1520866714 YRMPPXPSZJUMOJ-VHSXEESVSA-N 333.385 0.512 70 20 ECID O=C(O)[C@H]1COCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1594957927 VJXPOAGGATUPKI-LLVKDONJSA-N 331.321 0.199 70 20 ECID CCCC1(CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 160825661 UQGFHGSYQUMHAK-UHFFFAOYSA-N 344.209 0.996 70 20 ECID CCOC(=O)c1c(C)oc2ncn(CCS(=O)(=O)F)c(=O)c12 883953807 LTVRCABDMDCVSP-UHFFFAOYSA-N 332.309 0.774 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1CCS(=O)(=O)C1 1120829461 AEAYUDDTLBGHNV-SECBINFHSA-N 335.378 0.570 70 20 ECID CC#CCN1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961785208 CPFCEJZHZQCTMY-QWRGUYRKSA-N 325.365 0.356 70 20 ECID C[C@H](O)CN1C[C@H]2CC[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 971826159 AOHPNHUOXLKZTJ-GARJFASQSA-N 345.396 0.343 70 20 ECID O=C1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)N1 160413653 MZRQXGNUCVNABF-LSDHHAIUSA-N 329.400 0.615 70 20 ECID CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H](C)CO 160409082 WWIHIPVCLYMOST-FZMZJTMJSA-N 346.424 0.873 70 20 ECID O=C(CS(=O)(=O)C1CCCC1)NC[C@@H](O)CN1CCCCC1 160618668 CKUOVPKDSGEGBC-CYBMUJFWSA-N 332.466 0.307 70 20 ECID O=S(=O)(NC[C@H](O)COCC1CC1)C1Cc2ccccc2C1 160658412 OTCPWIFZZCEUCE-HNNXBMFYSA-N 325.430 0.861 70 20 ECID O=C(CNC(=O)NC1CCCCC1)NC[C@@H](O)CN1CCCCC1 159921849 STKNAQGXOZSXAE-OAHLLOKOSA-N 340.468 0.581 70 20 ECID CCN(C(=O)N[C@@H]1CC(=O)N(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 217288645 RZIGEJUDIKOXBN-VXGBXAGGSA-N 331.438 0.214 70 20 ECID CO[C@H](C)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015716231 QBZVTWHHWUBUOU-ZJUUUORDSA-N 333.385 0.512 70 20 ECID C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N(C)c1ncccn1 1113893767 GCDDAPMLLSOQQL-VIFPVBQESA-N 341.368 0.718 70 20 ECID CC(=O)N1CCC(C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 956501788 PHZKFDOONANYCO-UHFFFAOYSA-N 331.369 0.804 70 20 ECID CCC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 979328617 ZIJHLBQZRUCAKY-DTORHVGOSA-N 331.369 0.708 70 20 ECID CC#CCN1CC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085820409 ZGLSUARIBOCOQM-NSHDSACASA-N 327.381 0.843 70 20 ECID C[C@@H](O)CN1CC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085819924 LVNYXRINUZINBV-NXEZZACHSA-N 333.385 0.200 70 20 ECID C[C@H]1CCNC(=O)[C@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337578165 QSOCGSHEHCITAT-ZANVPECISA-N 328.365 0.528 70 20 ECID C[C@@H](CO)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 160420644 FLWVQWTZEVOCGG-LLVKDONJSA-N 344.408 0.968 70 20 ECID C[C@H](O)C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1 159439870 PRTKPRXWMSELSO-DZGCQCFKSA-N 345.399 0.218 70 20 ECID O=C(Cc1ccc2c(c1)OCCO2)NC[C@@H](O)CN1CCCCC1 159929540 MQHUQTMRLTYPIE-OAHLLOKOSA-N 334.416 0.963 70 20 ECID CS[C@@H](C)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999954922 XSAOZKKHBZAYAT-ZETCQYMHSA-N 349.409 0.365 70 20 ECID COC[C@H](C)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1179550243 SYXRQMSDUAASGO-NHCYSSNCSA-N 347.412 0.900 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@@H](c2ncon2)C1 1521204957 BLBWECSDAZJHKH-SECBINFHSA-N 330.297 0.270 70 20 ECID O=C(OCC(=O)C1(C(=O)O)CC1)c1ccc(S(=O)(=O)F)cc1 1602611238 NARUGYMADSLUCT-UHFFFAOYSA-N 330.289 0.936 70 20 ECID COc1cc(C(=O)N[C@@]2(C(=O)O)CCOC2)ccc1S(=O)(=O)F 1594050931 RYKRYDADMXDBFF-ZDUSSCGKSA-N 347.320 0.327 70 20 ECID O=C(O)CN1CCC(NC(=O)c2ccc(S(=O)(=O)F)cc2)CC1 1595078679 ZNGQOUJQMCVGPA-UHFFFAOYSA-N 344.364 0.624 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1ccnc(-n2cccn2)c1 160009495 MJWFRZIZWGQJQB-OAHLLOKOSA-N 329.404 0.844 70 20 ECID Cn1cnc2cc(C(=O)NCCN3C(=O)c4ccccc4C3=O)cnc21 160207763 TULJBYQIKATZOJ-UHFFFAOYSA-N 349.350 0.994 70 20 ECID Cc1cccc(-n2cc(C(=O)NCCCNS(C)(=O)=O)nn2)c1 159611162 SRAJYJXDRSMHAZ-UHFFFAOYSA-N 337.405 0.245 70 20 ECID CCCN1CCC(NC(=O)c2coc(S(=O)(=O)NC)c2)CC1 159749597 LRQFPCLEIWDIQB-UHFFFAOYSA-N 329.422 0.792 70 20 ECID CCN(CC)c1ncc(CN2CCNC(=O)[C@H]2CC(=O)OC)s1 159787141 SYPCAGWJQZLWGE-GFCCVEGCSA-N 340.449 0.853 70 20 ECID CCC(=O)N1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1022737484 KCRCHLWYHZMOTK-JOYOIKCWSA-N 343.380 0.756 70 20 ECID CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 987640806 MVTXNUAEQCQBHJ-JTQLQIEISA-N 331.369 0.613 70 20 ECID C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1CC#N 993824357 LAXGDRIFTQGIMZ-KOLCDFICSA-N 328.369 0.779 70 20 ECID CON(C)C(=O)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1347609043 PXQRXRVZJFGEBD-UHFFFAOYSA-N 347.368 0.545 70 20 ECID C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)[C@@H]1C[C@H]1C 1756496536 INBJGWLDQPHZRF-FXPVBKGRSA-N 345.396 0.906 70 20 ECID COCCC1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 161387390 UBEYHJCTUDFSLH-CQSZACIVSA-N 325.453 0.862 70 20 ECID Cn1cc(N2CCC[C@@H](N3CCN(CC(C)(C)O)CC3)C2=O)cn1 160428880 IKLJVWIUNOSQJG-OAHLLOKOSA-N 335.452 0.304 70 20 ECID Cn1cnnc1CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 160750218 LOADOCVIJDDJLW-UHFFFAOYSA-N 329.360 0.502 70 20 ECID NC(=O)c1ccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)cn1 159565422 JHKVXMZQFMARED-HNNXBMFYSA-N 346.431 0.898 70 20 ECID CC(=O)NC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1019500873 IMBTWYDNGHDZIX-JTQLQIEISA-N 347.368 0.040 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1[C@H]2CC[C@H]1CN(CCCO)C2 1017959227 QISTVDXCLJDXCS-QWRGUYRKSA-N 345.396 0.344 70 20 ECID C[C@H](O)CN1C[C@@H](C)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1092968505 VTWBXSQTUWRUTB-OUAUKWLOSA-N 347.412 0.351 70 20 ECID CN(Cc1cccn1C)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 161007307 SKUFIERYOWTELC-CUFDPUGPSA-N 331.372 0.146 70 20 ECID Cc1ccc(S(=O)(=O)N(CCOCCO)CCN(C)C)cc1F 161299860 QXPFBGODPKVDCQ-UHFFFAOYSA-N 348.440 0.695 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](CCO)C(C)C)CC2 160614263 ZBVSHRSKBXYMSY-RYUDHWBXSA-N 325.413 0.446 70 20 ECID CC(=O)N1CCCc2ccc(S(=O)(=O)NC[C@@H](C)CO)cc21 159699942 DNCQAVSCTGOBMB-LLVKDONJSA-N 326.418 0.892 70 20 ECID Cc1c(C(=O)NCC(C)(C)N(C)C)cnc2c1c(=O)n(C)c(=O)n2C 159533948 YTDGEUALJDYELX-UHFFFAOYSA-N 347.419 0.011 70 20 ECID C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCS(=O)(=O)F)C1=O 916622801 LYCMFOJHMORQDB-LBPRGKRZSA-N 345.308 0.661 70 20 ECID O=C(c1ccc(S(=O)(=O)F)cc1)N1CCOC[C@]12CCOC2 864241792 LDTGEUDZUCBWMD-CQSZACIVSA-N 329.349 0.976 70 20 ECID COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263760583 HEEZJHATVRFWRU-KWQFWETISA-N 348.352 0.466 70 20 ECID O=S(=O)(CCCF)NC[C@@H](O)COc1ccc(F)c(F)c1 161272322 KNTXFXVWZJJLIA-SECBINFHSA-N 327.324 0.984 70 20 ECID CCN(CCCNC(=O)c1cnc2c(c1)ncn2C)S(C)(=O)=O 159711983 XBJYYWHZCPGBDN-UHFFFAOYSA-N 339.421 0.370 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)Cn2cc(Br)ccc2=O)C1 159387195 FYLYKVVCPJXBOB-LLVKDONJSA-N 342.193 0.348 70 20 ECID CCC(=O)NC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1065629548 LUWSSWPCQUOVAY-VIFPVBQESA-N 347.368 0.040 70 20 ECID COc1cnc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cn1 460090648 GNSZOYXXOSMPBL-UHFFFAOYSA-N 347.349 0.944 70 20 ECID C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 161001725 DVMNJVRGRWXSGG-VNQPRFMTSA-N 335.448 0.757 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 161368339 LALLPPSILYAABO-HOTGVXAUSA-N 334.416 0.857 70 20 ECID CC(=O)NCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C 160009151 BZKDHPHDRMLXCP-UHFFFAOYSA-N 329.360 0.372 70 20 ECID CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(NCC2CC2)CC1 159822650 HLYLJLREPFMAMB-WFASDCNBSA-N 345.509 0.941 70 20 ECID CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H]2CCCN(C(C)C)C2)C1 159445497 PXTVGIMQWVBZHX-KGLIPLIRSA-N 346.497 0.440 70 20 ECID C#CCCN(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192397699 LXIOXFOGBJKAON-NSHDSACASA-N 327.381 0.843 70 20 ECID COC[C@H](C)N1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808576 MEMNOBUOYSSUHZ-WDEREUQCSA-N 347.412 0.760 70 20 ECID C#CCN1CC[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 1042238431 TYZJCZSHBWJMMQ-SMDDNHRTSA-N 339.392 0.843 70 20 ECID CCCC(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952162638 FCZUETDJVLFALP-VIFPVBQESA-N 331.369 0.804 70 20 ECID O=C(NCC1[C@H]2CN(CC3CC3)C[C@H]12)c1cc(S(=O)(=O)F)c[nH]1 978711080 ARQXVIBYFFHFDU-CHWSQXEVSA-N 341.408 0.991 70 20 ECID O=C(O)C[C@H]1COCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1601962910 DDRCPEVESVXEDH-NSHDSACASA-N 345.348 0.589 70 20 ECID CCN(CC(=O)NCC(C)(C)N1CCOCC1)Cc1cnn(C)c1 161095893 LSLWLUAEJVNBPZ-UHFFFAOYSA-N 337.468 0.469 70 20 ECID CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CCCCO2)cc1 161255182 HPFQUIWBAOTEGR-CQSZACIVSA-N 326.418 0.921 70 20 ECID CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 159849669 NFCGJYMWSCTPJO-AWEZNQCLSA-N 326.418 0.511 70 20 ECID CS(=O)(=O)CCCCN1CCCC[C@H]1CCNS(C)(=O)=O 161502382 HSBGPOBNAZEAIJ-ZDUSSCGKSA-N 340.511 0.605 70 20 ECID CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 946074228 UDANKBGNDXQGKV-KOLCDFICSA-N 331.369 0.708 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCC(NCCO)CC1 963919750 BODJYZURFUAYPI-UHFFFAOYSA-N 347.412 0.638 70 20 ECID CO[C@@H]1CCOC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1134125978 SLZRFRVZDGRKCM-CHWSQXEVSA-N 331.365 0.807 70 20 ECID O=C(NCCNC[C@H]1CCCCO1)c1cc(S(=O)(=O)F)c[nH]1 1133981098 HIKKHYQFDZHWJE-SNVBAGLBSA-N 333.385 0.561 70 20 ECID CN(C)C(=O)[C@@H]1CCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1337493505 VLORTOOLSFGNKU-ZDUSSCGKSA-N 342.392 0.967 70 20 ECID CC1(C)CCC(C(=O)NCC(=O)NCCN2CCOCC2)CC1 159907001 GQBXQLHZMQWFQY-UHFFFAOYSA-N 325.453 0.767 70 20 ECID O=C(NC/C=C\CNc1ncccn1)c1cc(S(=O)(=O)F)c[nH]1 1107512662 UNGSHFCLUXAAOU-UPHRSURJSA-N 339.352 0.861 70 20 ECID CCC(=O)N1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 949564619 HOUFVCCNUYOBTC-VIFPVBQESA-N 331.369 0.804 70 20 ECID CCCCN1CCOC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051117180 UHQQYSMMODQPQZ-LLVKDONJSA-N 347.412 0.904 70 20 ECID Cn1cc(Br)cc1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 161129936 JQEPDBQQJGRXGG-WCBMZHEXSA-N 330.182 0.550 70 20 ECID Cc1conc1NC(=O)C(=O)N1CCC(CN2CCOCC2)CC1 160422190 BEXXWHIDAPNTNW-UHFFFAOYSA-N 336.392 0.492 70 20 ECID CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1009603158 PMGXNZUTCNWUHO-PRHODGIISA-N 347.368 0.039 70 20 ECID C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@H](c2ccccc2)O1 216869275 NBRKUJPAXZSRCU-OCCSQVGLSA-N 331.372 0.917 70 20 ECID COCC(=O)N1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 949715963 DFSGDRWEYIHFFZ-VIFPVBQESA-N 347.368 0.040 70 20 ECID Cc1noc([C@@H](C)NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1133983056 XBPZCXVEFVXZEA-SSDOTTSWSA-N 345.356 0.445 70 20 ECID O=C(NCCN1C[C@@H]2CC[C@H](C1)O2)c1cc(S(=O)(=O)F)c[nH]1 1348405845 OZMMTKLXVDTVAZ-AOOOYVTPSA-N 331.369 0.266 70 20 ECID COCCC(=O)N(C)[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1756070953 POQCQXBYLMJRTO-VIFPVBQESA-N 349.384 0.286 70 20 ECID CCC[C@H](CCO)CNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 161168066 DDTFQPHTYIEMQJ-CYBMUJFWSA-N 347.415 0.995 70 20 ECID Cn1cc(N2CC[C@@H](NC(=O)NCc3ccc(O)c(F)c3)C2=O)cn1 160300158 SIYQRAWDTDDBGK-CYBMUJFWSA-N 347.350 0.870 70 20 ECID O=C(CNCC1CC1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 160978823 HAINVFLUPJLWLK-OAHLLOKOSA-N 331.416 0.782 70 20 ECID CN1CCC[C@@H]2CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC[C@H]21 159484593 QFFCZSIAEYHTMW-MCIONIFRSA-N 345.509 0.893 70 20 ECID O=C(c1ccc2[nH]ncc2c1)N1CCC[C@H](C(=O)N2CCNCC2)C1 159386379 OJHFZTOACAARQJ-AWEZNQCLSA-N 341.415 0.847 70 20 ECID O=C1C[C@@H](C(=O)N2CCC(OCc3ccccc3)CC2)NC(=O)N1 216795804 DZMOWDFWYVUOID-AWEZNQCLSA-N 331.372 0.792 70 20 ECID O=C(CCNS(=O)(=O)c1cccs1)N[C@H]1CCC[C@H]1CO 217891559 ZAYLHJBRZRMNOM-QWRGUYRKSA-N 332.447 0.694 70 20 ECID NS(=O)(=O)c1ccc(S(=O)(=O)NCC2(C3CC3)CC2)cc1 160153318 RQVFMDLMDIKGJK-UHFFFAOYSA-N 330.431 0.803 70 20 ECID CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H](C)CNC)CC2 160885788 WJXHQVXGNHJCJV-LLVKDONJSA-N 325.434 0.729 70 20 ECID C[C@H](O)CN1CCC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1001836857 PIDRWDCPOMBVRY-JTQLQIEISA-N 347.412 0.496 70 20 ECID CN(C)CCN(CCOCCO)S(=O)(=O)c1ccccc1F 161307101 UBKYYVXOLIMVIR-UHFFFAOYSA-N 334.413 0.387 70 20 ECID CCC(CC)n1nccc1C(=O)N1CCN(S(C)(=O)=O)CC1 160736565 HXDAHQLIRHHFIJ-UHFFFAOYSA-N 328.438 0.962 70 20 ECID NC1(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CCCCC1 159663461 UPTUOWSUGWJNTO-UHFFFAOYSA-N 330.388 0.468 70 20 ECID NC(=O)c1ccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cn1 159565543 JHKVXMZQFMARED-OAHLLOKOSA-N 346.431 0.898 70 20 ECID CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)F)cc1 838093832 RUGRQNMGIIABPW-MRVPVSSYSA-N 346.336 0.448 70 20 ECID CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123742500 JNDJJFWPHRSDDE-LLVKDONJSA-N 331.369 0.756 70 20 ECID O=C(NCCNCc1cncs1)c1cc(S(=O)(=O)F)c[nH]1 1133981229 KTMPCYGIZSQQIW-UHFFFAOYSA-N 332.382 0.649 70 20 ECID Cc1cc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc(C)n1 1094126799 WXUNUMKBILEKJS-UHFFFAOYSA-N 341.368 0.922 70 20 ECID COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccn1 1348406742 WQHCMMGNEPASFF-NSHDSACASA-N 341.320 0.712 70 20 ECID CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc(O)c1 160605871 LAYSZPISFIPKBO-CYBMUJFWSA-N 326.418 0.517 70 20 ECID CCn1cc(S(=O)(=O)NC[C@H](O)COc2cccc(C)c2)cn1 159937794 NDXXFFDZKRIELA-ZDUSSCGKSA-N 339.417 0.930 70 20 ECID O=C(NC1CN(Cc2cccnc2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030966737 ZDMKTGHPCOPNHV-UHFFFAOYSA-N 338.364 0.682 70 20 ECID O=C(NCCNCC[C@@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1133981224 KTKSXJMVUVSQMZ-SNVBAGLBSA-N 333.385 0.419 70 20 ECID N#CCN1CCCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1073769629 MFUONPZUOVSZOU-SNVBAGLBSA-N 344.368 0.017 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)F)cc2)C1 1337490512 CWGJVMXSKWZQJX-GFCCVEGCSA-N 328.365 0.624 70 20 ECID O=C1CN(C(=O)CCc2ccc(S(=O)(=O)F)cc2)CCCN1 1338233624 NWJDDEXWHXCYSA-UHFFFAOYSA-N 328.365 0.626 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](N2CCCC2=O)C1 1346848683 KVYSUJGHZORZPQ-SECBINFHSA-N 329.353 0.510 70 20 ECID CN(C)CCn1nnnc1SCc1nc2ccccc2c(=O)n1C 161149202 OSJXYPFDOVFDDB-UHFFFAOYSA-N 345.432 0.774 70 20 ECID COCc1ccc([C@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)o1 161487224 FTZMTDMSSGQODT-GFCCVEGCSA-N 330.406 0.981 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)C(C)(C)C)CC2 161211023 ABIYTKUWLANJJC-QWRGUYRKSA-N 325.413 0.446 70 20 ECID COC(CN1CCCN(Cc2nc([C@H](C)OC)no2)CC1)OC 161446375 LOYXRWHSCNJFAA-LBPRGKRZSA-N 328.413 0.904 70 20 ECID CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1CCN(c2ccccn2)C1 160137063 YGDQUZNDDPAVDC-LBPRGKRZSA-N 325.434 0.990 70 20 ECID C[C@H](CNS(=O)(=O)c1ccc(Cl)nc1)CN1CCOCC1 160378140 GEAQXUVGBYHPRS-LLVKDONJSA-N 333.841 0.982 70 20 ECID C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)OCc1ccccc1 159644015 VKNKNQBTGKLDJK-GXTWGEPZSA-N 326.418 0.742 70 20 ECID COC[C@H](O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O 159467140 ARMBAJNZZTZDJJ-CZUORRHYSA-N 333.388 0.339 70 20 ECID COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nn1 460096861 RZCFTQNGFLQQFD-UHFFFAOYSA-N 347.349 0.944 70 20 ECID C#CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 942861003 WLPAXHJTYQTCAV-JQWIXIFHSA-N 327.381 0.746 70 20 ECID O=C(NC[C@H]1CCN1C(=O)C(F)F)c1cc(S(=O)(=O)F)c[nH]1 952163717 CARQZASBFAULEE-ZCFIWIBFSA-N 339.295 0.269 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](NCc2ccon2)C1 969991234 IAWFYZDEKXHMFL-SNVBAGLBSA-N 342.352 0.665 70 20 ECID Cn1c(S)nnc1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1519145363 BAHSYNCCZNOQRM-UHFFFAOYSA-N 333.370 0.063 70 20 ECID O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H](O)Cc3ccccc3)cc2[nH]1 161053326 KKHDZSKORDNFFW-LBPRGKRZSA-N 347.396 0.738 70 20 ECID CCC(=O)N1CC[C@@H](C(=O)N2CCN(Cc3nc(C)no3)CC2)C1 161245954 TYJGHIYUICZIBQ-CYBMUJFWSA-N 335.408 0.281 70 20 ECID CNS(=O)(=O)c1cc(C(=O)NCCc2cn3ccccc3n2)co1 161435929 JNXQVCAHFWXATA-UHFFFAOYSA-N 348.384 0.808 70 20 ECID CNS(=O)(=O)CC(=O)NC[C@H](O)c1c(Cl)cccc1Cl 160180163 BREYTTTXAQAWJX-VIFPVBQESA-N 341.216 0.692 70 20 ECID Cc1cc(C(=O)N[C@H](CO)CC(C)C)nc2c1c(=O)n(C)c(=O)n2C 160683700 OMJGEJQMECLYIW-NSHDSACASA-N 348.403 0.077 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)C1 159488890 ZLWCANBPWXLKHV-CQSZACIVSA-N 340.383 0.892 70 20 ECID O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 159740605 WRAIPZVYKAXKLC-LLVKDONJSA-N 344.371 0.833 70 20 ECID C=CCN1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035509459 DXSZJSQSGPDBOG-SNVBAGLBSA-N 331.369 0.290 70 20 ECID CO[C@H](C)CN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141899 UJFGIRXOLPJNKO-GHMZBOCLSA-N 347.412 0.902 70 20 ECID N#CCN1CC[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 1042238704 WYVGKALHBVBKST-GXFFZTMASA-N 340.380 0.733 70 20 ECID COCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 942860312 RJFFKUNUNZOEJB-CMPLNLGQSA-N 347.412 0.760 70 20 ECID O=C(NCCNCc1cncc(F)c1)c1cc(S(=O)(=O)F)c[nH]1 1133975921 DNOFEDAUEQESDN-UHFFFAOYSA-N 344.343 0.727 70 20 ECID C#CCN[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C12CCC2 1078729132 UFTHDWMZROPARB-OLZOCXBDSA-N 339.392 0.937 70 20 ECID C[C@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999955730 QUFZDLFZKYAFRY-OIBJUYFYSA-N 329.353 0.270 70 20 ECID CC(=O)N1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@]2(C)C1 992470301 SBTYJXSBCOODGF-IINYFYTJSA-N 343.380 0.613 70 20 ECID CC(C)(C(=O)O)n1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1588627260 GNDHIOOBDQKFMB-UHFFFAOYSA-N 344.324 0.941 70 20 ECID Cc1ccc(C)n1-c1c(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cnn1C 161450065 JMNJHRVSYWCSKS-GXTWGEPZSA-N 345.403 0.590 70 20 ECID CCN(C(=O)Cn1cnc(C(C)C)cc1=O)[C@@H]1CCS(=O)(=O)C1 160897857 IYWDYJYWCJOUKG-GFCCVEGCSA-N 341.433 0.402 70 20 ECID CCOC1CC(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1133981101 HLKCAWMODNPWEP-UHFFFAOYSA-N 347.412 0.807 70 20 ECID C[C@H](O)CN1CC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085819926 LVNYXRINUZINBV-VHSXEESVSA-N 333.385 0.200 70 20 ECID C[C@H](O)CCCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1566773454 GZQSZAXNEICOPZ-QWRGUYRKSA-N 347.412 0.638 70 20 ECID CCc1ncc(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cn1 161151344 DLPKKSBYVUWYSF-UHFFFAOYSA-N 329.364 0.653 70 20 ECID CCNC(=O)c1ccccc1NCC(=O)NCC(=O)NC(C)(C)C 161238600 UOSYARINJUAJPS-UHFFFAOYSA-N 334.420 0.879 70 20 ECID Cn1cc(S(=O)(=O)N(CCCO)CC(C)(C)C)cc1C(N)=O 161370535 KVXRCWFZTYNLMR-UHFFFAOYSA-N 331.438 0.543 70 20 ECID Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC(O)C2)s1 161485005 CVGMQFWDHXYRJV-NSHDSACASA-N 330.431 0.413 70 20 ECID CN1CC[C@@H](NS(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)C1=O 160484540 FQQOYDBQKAGESH-FIXISWKDSA-N 328.434 0.532 70 20 ECID COC[C@H](C)N1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008547468 NTHBNWTZRVXESC-WDEREUQCSA-N 347.412 0.902 70 20 ECID C[C@H](O)CN(C)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1027583625 XYCQYBPENYPSKL-QWRGUYRKSA-N 347.412 0.590 70 20 ECID COCCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033430579 XLRRCWFJOJQRNC-SNVBAGLBSA-N 333.385 0.466 70 20 ECID C[C@@H]1CN(CCO)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 942859664 ONNWGYVZZGHKFT-KOLCDFICSA-N 333.385 0.105 70 20 ECID CC(C)N[C@H](C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 979385039 FMCNPWOARCPTPH-ZWNOBZJWSA-N 347.412 0.900 70 20 ECID N#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1097863814 XIGNREYGTDUJOO-UISBYWKRSA-N 326.353 0.532 70 20 ECID CCN[C@@]1(CO)CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1755089136 IZGWKGQWXSEBDW-ZDUSSCGKSA-N 333.385 0.250 70 20 ECID Cc1cnccc1CCNC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 161384885 GCQMPUPJCUAPRO-MRXNPFEDSA-N 347.463 0.819 70 20 ECID CC(C)[C@H](C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)N(C)C 160158710 XDYPQTSPIYVHAD-QGZVFWFLSA-N 338.496 0.729 70 20 ECID CNC(=O)[C@]1(C)CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1 864242028 SQKSVTGTSWBGTA-CQSZACIVSA-N 328.365 0.943 70 20 ECID O=C(N[C@H]1CCCN(CCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1052717802 ZYNJAJGJDUIETP-JTQLQIEISA-N 333.385 0.250 70 20 ECID O=C(NCCNCCOCC(F)F)c1cc(S(=O)(=O)F)c[nH]1 1133975896 CQELLZXJMZVFHS-UHFFFAOYSA-N 343.327 0.274 70 20 ECID O=C(NC[C@H]1CCCS1(=O)=O)N1CCN(c2ccncc2)CC1 160214988 MMHKSHMNSOXHSO-CQSZACIVSA-N 338.433 0.490 70 20 ECID CC(C)S(=O)(=O)CCCN1CCN([C@@H](C)C(=O)NC2CC2)CC1 160620116 YLGPBAIPQXJDPA-AWEZNQCLSA-N 345.509 0.484 70 20 ECID C[C@@H]1CCC[C@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 159362743 XDNGNOQVSURBOG-CVEARBPZSA-N 337.464 0.816 70 20 ECID CCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 967756332 HKECOTZMLCDPJP-UWVGGRQHSA-N 343.380 0.898 70 20 ECID C=CCCCN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1220366933 HCGGDAGJWGFPCH-OLZOCXBDSA-N 345.396 0.414 70 20 ECID Cc1cc(CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)on1 1166871492 HCOSPTACLITHIG-UHFFFAOYSA-N 344.368 0.879 70 20 ECID COC[C@@H](O)CCNC(=O)CCn1cc(Br)ccc1=O 160966711 VHFAEYXWCBNSNO-NSHDSACASA-N 347.209 0.515 70 20 ECID C[C@H]1CCCN(C(=O)CN2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 159452617 NZISXGGNXMMWGY-AWEZNQCLSA-N 346.431 0.391 70 20 ECID CCC(=O)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1065629536 LUWSSWPCQUOVAY-SECBINFHSA-N 347.368 0.040 70 20 ECID O=C(CCN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)F)c(F)c1 857675011 YEHXFFCZRQIOLT-UHFFFAOYSA-N 346.311 0.962 70 20 ECID C[C@]1(NC(=O)C2CC2)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 956623017 SRJWDVUAONHWRT-AWEZNQCLSA-N 343.380 0.804 70 20 ECID CCn1ccnc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133976308 LMBXCINULPKGDB-UHFFFAOYSA-N 343.384 0.409 70 20 ECID C[C@H]1C[C@H](CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1133976467 NDOTZJBRAOOFEW-WDEREUQCSA-N 347.412 0.807 70 20 ECID O=C(NCCCNCCOCC1CC1)c1cc(S(=O)(=O)F)c[nH]1 1166880054 SWDXNPPQNIWJQH-UHFFFAOYSA-N 347.412 0.809 70 20 ECID O=C(c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)N1CC(O)C1 161485412 NRAAUBPFMIENPY-UHFFFAOYSA-N 328.365 0.427 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CCn1ccccc1=O 160631392 CILAKHFGAWWERC-OLZOCXBDSA-N 341.433 0.073 70 20 ECID CS(=O)(=O)Cc1ccc(C(=O)N2CCN(CC3CC3)CC2)o1 160637666 PCRFXROKSABZBZ-UHFFFAOYSA-N 326.418 0.992 70 20 ECID CC(C)N1C[C@H](NC(=O)N2CCN(c3ccccn3)CC2)CC1=O 217289139 NINUZATYEIYBKH-CQSZACIVSA-N 331.420 0.923 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](N2CCOC2=O)C1 1355008423 FVALAIHKKMHPII-QMMMGPOBSA-N 331.325 0.340 70 20 ECID CC[C@H](F)CNC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1753927500 LHLXOLPAHLBRHD-DTWKUNHWSA-N 339.364 0.101 70 20 ECID COCCCNC(=O)CN(C)C(=O)c1cccc2c1oc(=O)n2C 161294698 YLRNCMYKSGMROU-UHFFFAOYSA-N 335.360 0.356 70 20 ECID C[C@H](CNS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1)CN1CCOCC1 160388462 DVMIULGATHOHOC-SOUVJXGZSA-N 333.498 0.767 70 20 ECID N#Cc1cccc(C(=O)NNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1 1340087539 IBYSCVDNAXBRLZ-UHFFFAOYSA-N 336.304 0.619 70 20 ECID O=C(NC[C@@H]1CCN1C[C@@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1038710843 RCVAXDWLTBMGDN-QWRGUYRKSA-N 345.396 0.514 70 20 ECID C#CCNC1CC2(C1)CC(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 965095590 YCYFDNAEDJCEEF-UHFFFAOYSA-N 339.392 0.937 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1NCCCO 1215571172 CNDNCQOZUQIGFE-BXKDBHETSA-N 333.385 0.105 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1337795882 YAXILOQYNNWAFN-SNVBAGLBSA-N 349.405 0.912 70 20 ECID O=C1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@@H]2N1 1521707474 ADHJGGPKFYLACT-WPRPVWTQSA-N 329.353 0.414 70 20 ECID O=C1C[C@@H](C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CCN1 159722426 UEGBTRKFMACOEQ-HOTGVXAUSA-N 331.416 0.702 70 20 ECID CSC[C@](C)(O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)o1 217660129 GALDQDYUUXZDRL-GFCCVEGCSA-N 336.435 0.374 70 20 ECID CCOC(=O)C[C@@H](O)COC(=O)c1ccc(S(=O)(=O)F)cc1 859710421 HYRDVGXSEOIZLR-SNVBAGLBSA-N 334.321 0.816 70 20 ECID CN(C)C(=O)Cn1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1 1123617722 XEOFSKNJSZJPFN-UHFFFAOYSA-N 343.340 0.210 70 20 ECID O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCCc2sccc21 160082723 LAJOSCZIDONOFX-GFCCVEGCSA-N 328.459 0.972 70 20 ECID Cn1cc(S(=O)(=O)NCCNC2CCCCCC2)cc1C(N)=O 160146844 CHEYOBMLVNSYFB-UHFFFAOYSA-N 342.465 0.715 70 20 ECID Cc1cc(NC(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)n(C)n1 159388728 SSGASTXUXWGKFP-CQSZACIVSA-N 348.451 0.081 70 20 ECID COC(=O)Cn1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1120944340 LAZDAKXJCDBPHH-UHFFFAOYSA-N 330.297 0.295 70 20 ECID COCCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1052715977 KEXGHTFOOFGWSG-NSHDSACASA-N 347.412 0.904 70 20 ECID CC(C)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1083195992 AHWWXFMZUQFJOL-QWHCGFSZSA-N 345.396 0.607 70 20 ECID CCN1CCN(C(=O)CCc2ccc(S(=O)(=O)F)cc2)CC1=O 1262786542 NPORALMFSAKURR-UHFFFAOYSA-N 342.392 0.968 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)COCC(F)(F)F 160309276 QEONZAOODHDDNB-DTWKUNHWSA-N 332.344 0.399 70 20 ECID CN1CCC(NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 160420733 CGKXUDGKWUCALS-QGZVFWFLSA-N 330.388 0.565 70 20 ECID COC[C@@H](NC(=O)Nc1cnn(CCN2CCOCC2)c1)C1CC1 160700143 FSGUJOFVHHCIKU-OAHLLOKOSA-N 337.424 0.762 70 20 ECID CC(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1017882023 DGQISELAPCKAQD-SCZZXKLOSA-N 331.369 0.802 70 20 ECID COC(=O)c1cccc2c1N(CCS(=O)(=O)F)[C@@H](C)C(=O)N2 883954434 NDMGORAICXNMKS-QMMMGPOBSA-N 330.337 0.920 70 20 ECID CC1(C)CN(CC#N)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 975054211 ZDDFZLQAJGQSAH-LLVKDONJSA-N 328.369 0.637 70 20 ECID O=C(N[C@H](C[C@H]1CCCOC1)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601409907 IFELTUQUJRMXFF-LDYMZIIASA-N 348.352 0.673 70 20 ECID O=C(N[C@H](CC(F)(F)F)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601407553 XRSSGDMOXCRVST-ZCFIWIBFSA-N 332.231 0.808 70 20 ECID CC(C)C(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 161256589 FLZPTERELAEUTB-KBPBESRZSA-N 348.451 0.787 70 20 ECID CC(C)CN1CCC[C@@H]1CNC(=O)CCC(=O)N1CCOCC1 160485082 ZGAOLJVJYYAYLY-OAHLLOKOSA-N 325.453 0.862 70 20 ECID COC[C@@H](O)CNC(=O)CCCNC(=O)c1ccc(F)cc1F 159517118 OXBQVMYYUXPPGY-NSHDSACASA-N 330.331 0.598 70 20 ECID O=C(N[C@@H]1CCCN(CCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1052717803 ZYNJAJGJDUIETP-SNVBAGLBSA-N 333.385 0.250 70 20 ECID CO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1075798244 WJXGKWJFFYXQNA-IUCAKERBSA-N 349.384 0.332 70 20 ECID COCCN1CC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085819819 JMOWDSSELFKRNQ-SNVBAGLBSA-N 333.385 0.466 70 20 ECID CC(C)C(=O)NCCN(C)C(=O)Nc1cccnc1-n1cncn1 160140995 XHDCKXCMZBYLQR-UHFFFAOYSA-N 331.380 0.898 70 20 ECID CN1CC[C@H](NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1=O 160481173 CBNINWWEEPCDMB-LBPRGKRZSA-N 349.815 0.976 70 20 ECID C[C@H]1CN(CCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1123727450 NAHOOSUUAZLZSP-NSHDSACASA-N 347.412 0.904 70 20 ECID C[C@H](C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCCO 1135489581 VWBXRHKXJGXHQT-NXEZZACHSA-N 335.401 0.542 70 20 ECID C[C@@]12CN(CCO)C[C@@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1092024648 BQLYGNDCVDQSFN-YGRLFVJLSA-N 345.396 0.059 70 20 ECID C[C@@H](O)C(=O)N1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1 161309196 YCDTUUYSHZAGDN-CQSZACIVSA-N 339.480 0.796 70 20 ECID O=C(Cn1ncc(=O)c2ccccc21)NC[C@@H](O)CN1CCCCC1 160620820 RIKCGSVEUQJMNY-CQSZACIVSA-N 344.415 0.360 70 20 ECID NC(=O)c1ccc(S(=O)(=O)N2CCC(Cn3ccnn3)CC2)cc1 159468436 KISOZOJHVQQHHA-UHFFFAOYSA-N 349.416 0.478 70 20 ECID Cc1nc2cc(O)nn2c(C)c1CCC(=O)N(CC(N)=O)CC(C)C 159668342 QRYRTNFRGNWARE-UHFFFAOYSA-N 347.419 0.954 70 20 ECID COc1cc(OC)c(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1OC 217000577 VFKAXMDLBBEZKB-ZYHUDNBSSA-N 325.361 0.528 70 20 ECID CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123742501 JNDJJFWPHRSDDE-NSHDSACASA-N 331.369 0.756 70 20 ECID C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 951485458 RDQONBHWGKWHCE-WCABBAIRSA-N 343.380 0.660 70 20 ECID O=C(NNC(=O)[C@@H]1CCCCO1)c1cccc(S(=O)(=O)F)c1 1517975326 MPGOJGJFDLBLBZ-NSHDSACASA-N 330.337 0.675 70 20 ECID Cc1ccc(NC(=O)c2cn(CC(=O)O)nn2)cc1S(=O)(=O)F 1574375067 IXYGKIOKYCIROD-UHFFFAOYSA-N 342.308 0.582 70 20 ECID C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)NCc1ccon1 1755603483 CCPBNVITNKMZRO-SECBINFHSA-N 344.368 0.911 70 20 ECID COCCCS(=O)(=O)NCC(=O)N1c2ccccc2C[C@@H]1C 161064548 KZIOHWZTIHIICB-LBPRGKRZSA-N 326.418 0.920 70 20 ECID C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(Cc2ccncc2)CC1 161181417 IBGARUVESHOCQE-NVXWUHKLSA-N 332.448 0.883 70 20 ECID Cc1cc(C[C@H](C)NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n[nH]1 161384655 UIHNDJITPDTPOU-UHHUMBINSA-N 342.399 0.572 70 20 ECID CCCC(=O)NC[C@H]1CCCN(C(=O)CNC(=O)c2cccnc2)C1 160424474 HIWJDRDIVLAILT-CQSZACIVSA-N 346.431 0.966 70 20 ECID NC(=O)N1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 159808664 SLUYLJHQLFATKL-UHFFFAOYSA-N 334.351 0.937 70 20 ECID O=C(CO)N1CCN(C(=O)Nc2ccccc2-n2cccn2)CC1 159366001 RCKWENYTCUMOFM-UHFFFAOYSA-N 329.360 0.541 70 20 ECID CN(c1ccn(C)n1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460090702 GPIGGYOCIFXJBJ-UHFFFAOYSA-N 333.366 0.903 70 20 ECID CN(C)CCN(C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1351946218 KTFPZVTTYMIJDX-UHFFFAOYSA-N 334.417 0.286 70 20 ECID O=C(CCc1ccc(S(=O)(=O)F)cc1)N[C@H]1CCO[C@H]1C(=O)O 1601289654 YHTGNCNXTQNRQQ-WCQYABFASA-N 345.348 0.636 70 20 ECID CN(CCNC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccccc1 160218631 BZROPSNPAKVVEZ-AWEZNQCLSA-N 325.434 0.999 70 20 ECID C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3nncn3C)CC2)C1 160722038 NPRAKTQYHORADZ-HUUCEWRRSA-N 334.468 0.437 70 20 ECID CN(CCC(=O)N1CCN(c2ncccn2)CC1)C[C@@H]1CCC[C@@H]1O 159452700 ZSRUQOMDXUGQOK-HOTGVXAUSA-N 347.463 0.608 70 20 ECID CC(=O)NC[C@@H]1C[C@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1010306280 KYRQKZBOBRQFMX-WPRPVWTQSA-N 331.369 0.660 70 20 ECID COCCN1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1023590991 LQJAUTGPOZMMAV-NSHDSACASA-N 347.412 0.761 70 20 ECID NC(=O)NC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123617339 VHNPUDCTNZTSAJ-MRVPVSSYSA-N 332.357 0.336 70 20 ECID C[C@H]1CCN(CCO)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 968333871 ARELUNKAJYLNGY-CABZTGNLSA-N 333.385 0.105 70 20 ECID O=C(NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)c1cc[nH]c1 993715481 PBJGYQMZQIJRPQ-UHFFFAOYSA-N 340.336 0.255 70 20 ECID N#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1099035080 LALCKZCPOBFPIU-HZMBPMFUSA-N 340.380 0.781 70 20 ECID CO[C@@H]1C[C@H](c2nncn2C)N(c2ccc(S(=O)(=O)F)cn2)C1 1550623488 WXTMBYQZPQWSOD-MWLCHTKSSA-N 341.368 0.835 70 20 ECID COC[C@@H](O)CCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O 161270752 SYHQYIRBIHOIMY-NSHDSACASA-N 339.417 0.588 70 20 ECID CC(=O)N1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 1020872965 GFPVPXHRYXSFQF-JOYOIKCWSA-N 329.353 0.366 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](NCc2cnon2)C1 1019397119 JSOOOWBHWNRRSS-QMMMGPOBSA-N 343.340 0.060 70 20 ECID COCCN1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1024652844 WQSFLWGAUIQORZ-LLVKDONJSA-N 347.412 0.904 70 20 ECID CC(=O)N1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@H]21 946046149 HOQVIMNFPCXECP-ZWNOBZJWSA-N 343.380 0.756 70 20 ECID CC(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1047529957 WWBIPLGXZNTGIC-STQMWFEESA-N 347.412 0.446 70 20 ECID CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123741644 AXFWKQWTPDKNEX-NSHDSACASA-N 331.369 0.660 70 20 ECID C#CCCN1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 961786157 FQVLYZJWNVLZHS-GHMZBOCLSA-N 325.365 0.356 70 20 ECID CC(=O)NC1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 979961179 JHBDUKRKURKNHR-UHFFFAOYSA-N 331.369 0.850 70 20 ECID CC(C)NC(=O)CN(C)C(=O)Cc1ccc(S(=O)(=O)F)cc1 1515560603 AHLMGROMOITFNM-UHFFFAOYSA-N 330.381 0.870 70 20 ECID C[C@H](NCc1ccc(C(=O)NCC(N)=O)cc1)C1CCN(C)CC1 161036633 QIHZALSHPJIQNP-ZDUSSCGKSA-N 332.448 0.722 70 20 ECID CC[C@H](COC)NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 160312048 JIYQZIBACRULKE-LLVKDONJSA-N 329.422 0.954 70 20 ECID CC(C)CN1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 958413695 SQHNQFJLOVDTNP-GWCFXTLKSA-N 347.412 0.351 70 20 ECID CC#CCN1CC([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970437032 NTFFEHHUTPLZGZ-JTQLQIEISA-N 327.381 0.746 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CC[C@@H](CC(N)=O)C1 1339045961 XJZHAZOFNVBBJU-JTQLQIEISA-N 328.365 0.991 70 20 ECID COC(=O)[C@H](O)CNC(=O)COc1ccc(Br)cc1 217676320 YCDLPCBITVDSFR-SNVBAGLBSA-N 332.150 0.478 70 20 ECID O=C(NC1CC1)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1527577496 OQQWJYLKSYYZKD-VIFPVBQESA-N 343.380 0.804 70 20 ECID C[C@H](C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)C1CCOCC1 161226194 VLSPGTZINZUXNB-UONOGXRCSA-N 337.464 0.860 70 20 ECID CCOC(=O)CN(CC(N)=O)C(=O)Cc1cc(F)c(F)cc1F 160538382 BTWFWUNNISSWTA-UHFFFAOYSA-N 332.278 0.523 70 20 ECID CC(=O)N1CC[C@H](NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1 159441117 TZQKNZOZTHTCAH-WMLDXEAASA-N 349.406 0.936 70 20 ECID O=C1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@@H]2N1 1521707472 ADHJGGPKFYLACT-SCZZXKLOSA-N 329.353 0.414 70 20 ECID CNC(=O)Cc1ccc(NC(=O)C(=O)NCCn2cccc2)cc1 160169156 UMRPELGZDIWNDF-UHFFFAOYSA-N 328.372 0.532 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 160981781 SEGJACDHZYDARS-RYUDHWBXSA-N 326.418 0.866 70 20 ECID COCCCNC(=O)CN(C)[C@@H]1CCCN(c2cnn(C)c2)C1=O 159682014 TXNVRUSRIGIZRI-CQSZACIVSA-N 337.424 0.000 70 20 ECID COCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CC1=O 275009737 WUXHZRUZEWASFI-JTQLQIEISA-N 344.364 0.778 70 20 ECID CCC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 966847422 PGRZIVWDSWIKRX-GZMMTYOYSA-N 331.369 0.660 70 20 ECID CC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 970028765 SXVBMUMUIGARBH-AOOOYVTPSA-N 329.353 0.508 70 20 ECID CCN[C@H](C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 979395554 WZINVJKVKNGHJK-BXKDBHETSA-N 333.385 0.512 70 20 ECID C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 973831291 GHHOQEPQKHIJIS-WYOJIJJFSA-N 343.380 0.706 70 20 ECID O=C(OCCN1C(=O)CCC1=O)c1cccc(S(=O)(=O)F)c1 1334332341 ZTDAINALEGWAPK-UHFFFAOYSA-N 329.305 0.651 70 20 ECID CNC[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)NC)c1 161237971 RPVZHRRSDMOOQC-NSHDSACASA-N 329.397 0.558 70 20 ECID COC[C@@H](O)CCNC(=O)c1cc(I)c[nH]1 161476256 XTKMIYMVGJDFGT-QMMMGPOBSA-N 338.145 0.747 70 20 ECID Cn1c(=O)c2cc(C(=O)NCC3(C4CC4)CC3)cnc2n(C)c1=O 160143195 NNFRHBZVQYFSSR-UHFFFAOYSA-N 328.372 0.552 70 20 ECID COC[C@H](C)S(=O)(=O)N1CCN(Cc2cccc(O)c2)CC1 160779587 ITJOFVKLNZXZDB-ZDUSSCGKSA-N 328.434 0.875 70 20 ECID CC(=O)N[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 1014656878 ZWWBUHPAIFWSIE-LDYMZIIASA-N 331.369 0.802 70 20 ECID C[C@@H](CNc1cnc(F)cn1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1108702695 XPXYNYXZOSYDPP-ZETCQYMHSA-N 345.331 0.832 70 20 ECID Cn1nnnc1SC(F)(F)COS(=O)(=O)C(F)(F)F 1329469515 LMOAWVAOCNRXDH-UHFFFAOYSA-N 328.244 0.761 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CC(=O)N(C)C[C@@H]1C 1337391587 ZCGMZJLPSWLHQY-JTQLQIEISA-N 328.365 0.956 70 20 ECID COCCCCN1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1754494141 LYKZDXMYXAZYIF-LLVKDONJSA-N 347.412 0.904 70 20 ECID CNC[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F 161226750 JQMTWJOJPVMTGR-VXGBXAGGSA-N 343.424 0.703 70 20 ECID COc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1 161389897 YFGQSTRFXHCTOR-UHFFFAOYSA-N 328.434 0.678 70 20 ECID CCn1cc(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)cn1 160012258 ZFDXOODFGURPTK-UHFFFAOYSA-N 335.385 0.676 70 20 ECID Cc1c(NC(=O)C(=O)N2CCN(C)CC2)cnn1-c1ccccc1 160314467 PJUUUTPZVVDQED-UHFFFAOYSA-N 327.388 0.893 70 20 ECID C[C@H](O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1017959010 NXEBJMFPVGONKB-GARJFASQSA-N 345.396 0.343 70 20 ECID CN1CCN(C(=O)CCc2ccc(S(=O)(=O)F)cc2)CC1=O 1355012256 UOGCDSGAFFTRLG-UHFFFAOYSA-N 328.365 0.578 70 20 ECID CN1CCN([C@@H]2CCN(c3ccc(S(=O)(=O)F)cn3)C2)CC1 1550640659 KBYIHYRJSZOYMJ-GFCCVEGCSA-N 328.413 0.566 70 20 ECID CC[C@@H](F)CNC[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1753927499 LHLXOLPAHLBRHD-BDAKNGLRSA-N 339.364 0.101 70 20 ECID O=C(N[C@H]1CCc2ncnn2C1)N1CCO[C@@H](c2nccs2)C1 161123159 DBVOYVZDYFIMHY-WDEREUQCSA-N 334.405 0.833 70 20 ECID COCc1nc2n(n1)C[C@H](Nc1ncc(C(N)=O)cc1Cl)CC2 161358629 DDGJYSDLMOSKEF-SECBINFHSA-N 336.783 0.999 70 20 ECID CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC(O)C3)cc(C(C)C)nc21 161477081 AULMUOBUBCIFMD-UHFFFAOYSA-N 332.360 0.045 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)C1 159691330 FNCYIQYZCGHLBE-CHWSQXEVSA-N 333.363 0.916 70 20 ECID COc1ccccc1[C@@H](N)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 159387147 GUIVQYGDQNNCKU-MRXNPFEDSA-N 343.387 0.304 70 20 ECID C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 1026360367 LDTQPXQSRBIULT-CYZMBNFOSA-N 339.392 0.746 70 20 ECID C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1CNCCO 1133124532 BEBVHDGNQSWLSL-WDEREUQCSA-N 347.412 0.353 70 20 ECID CC1(C(=O)N2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CCC1 999957285 WJQAFPSXMVHESU-UHFFFAOYSA-N 343.380 0.804 70 20 ECID CC[C@@](COC)(NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(=O)O 1595189441 MOSJFRUHJOPUHB-AWEZNQCLSA-N 347.364 0.883 70 20 ECID Cc1ccc(S(=O)(=O)N(CCOCCO)CCN(C)C)cc1C 161307681 NBTSOHYUUWRGFZ-UHFFFAOYSA-N 344.477 0.865 70 20 ECID Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 160237880 HIUFKQIIBXRMGS-GXTWGEPZSA-N 342.465 0.414 70 20 ECID C[C@@H](CO)N(C)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 160382826 XALJHCWCWUJNGT-NSHDSACASA-N 326.418 0.852 70 20 ECID CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC(N)(CC)CC)CC1=O 160433215 NUAIFALZEIPJJR-LSDHHAIUSA-N 338.496 0.953 70 20 ECID O=C(NCCc1cn2c(n1)CCCC2)NC[C@H]1CCCS1(=O)=O 159783693 SPEQDQZITKBHFP-CYBMUJFWSA-N 340.449 0.638 70 20 ECID CCN(C(=O)N[C@H]1CC(=O)N(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 217288643 RZIGEJUDIKOXBN-RYUDHWBXSA-N 331.438 0.214 70 20 ECID O=C(/C=C/C(=O)Nc1ccc2[nH]ncc2c1)NCC(=O)N1CCCC1 161369452 VVNYNMNLDVUUTD-AATRIKPKSA-N 341.371 0.796 70 20 ECID CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCc1cccc(O)c1 160228523 YOABJDXKBNNNCN-AWEZNQCLSA-N 326.418 0.865 70 20 ECID C#CCN1CC[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 1042238428 TYZJCZSHBWJMMQ-BXUZGUMPSA-N 339.392 0.843 70 20 ECID C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1CNCC#N 1133124585 BONBXMJFPTZDCJ-GHMZBOCLSA-N 342.396 0.884 70 20 ECID NCCn1cc(C(=O)Nc2ccc(F)c(CS(=O)(=O)F)c2)nn1 1580320446 MIAMYSKGLSYOBC-UHFFFAOYSA-N 345.331 0.428 70 20 ECID COC[C@@](C)(CC(=O)O)NC(=O)c1ccc(S(=O)(=O)F)cc1 1599149800 ICZILZARPYXKSS-CYBMUJFWSA-N 333.337 0.954 70 20 ECID CCN(C(=O)[C@H](C)N(C)Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 161062923 RRQOFCKEALFMJA-GXTWGEPZSA-N 342.465 0.276 70 20 ECID O=C(CNC(=O)N1CCN(Cc2ccccn2)CC1)NCC1CC1 161160134 UEPMWNHUJYLJOH-UHFFFAOYSA-N 331.420 0.435 70 20 ECID COC[C@H](O)CNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C 159493317 VKCGJEOOUAYCFI-ZIAGYGMSSA-N 326.368 0.704 70 20 ECID O=C(NCC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CCC1 1000626235 ZCRHTRNQRZFWKX-UHFFFAOYSA-N 343.380 0.661 70 20 ECID O=C(NC[C@H]1COCCN1CCF)c1cc(S(=O)(=O)F)c[nH]1 1051116963 PMBSBOLULVVKKT-VIFPVBQESA-N 337.348 0.073 70 20 ECID CN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1336949278 KTVAWJYIUZGMEY-SECBINFHSA-N 335.382 0.276 70 20 ECID Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2(CO)CC2)cc1C 160464491 BDZSPMFGRQZKBT-UHFFFAOYSA-N 326.418 0.565 70 20 ECID O=C(CNC(=O)c1cccc(-c2ncn[nH]2)c1)NCC(F)(F)F 160971576 BEMXQGUDKKGHQQ-UHFFFAOYSA-N 327.266 0.880 70 20 ECID COC[C@H](C)S(=O)(=O)NCCNc1nccc(C(F)(F)F)n1 159600494 ZCMOHXBJVRKCIE-QMMMGPOBSA-N 342.343 0.862 70 20 ECID CN(CC(=O)N(CCC(N)=O)Cc1ccccc1)C[C@@H]1CCC[C@@H]1O 159664531 BYSKRUGQJRUQIS-IRXDYDNUSA-N 347.459 0.983 70 20 ECID CCC(=O)N1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1013808944 YHBJGUNOJURJFL-RKDXNWHRSA-N 329.353 0.270 70 20 ECID O=C(NC[C@@H]1CCCCN1CCO)c1cc(S(=O)(=O)F)c[nH]1 1024651697 BTRWCKAXQNDIGE-JTQLQIEISA-N 333.385 0.250 70 20 ECID C=CCN1CCCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1073769949 WWINAJGSHGOHLJ-NSHDSACASA-N 345.396 0.680 70 20 ECID O=C(NCCCNc1ncc(F)cn1)c1cc(S(=O)(=O)F)c[nH]1 1094801007 GUVBABPOMBUTTC-UHFFFAOYSA-N 345.331 0.834 70 20 ECID C[C@@](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)(C(N)=O)c1ccccc1 1348706780 FQUMWXFDIFFCHK-AWEZNQCLSA-N 339.348 0.803 70 20 ECID CCN1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)CC1 160733388 KYQWRXGLTHODFZ-QZTJIDSGSA-N 349.523 0.892 70 20 ECID CCCCn1c(N)c(N(CC)C(=O)[C@@H]2CCCCO2)c(=O)[nH]c1=O 159797137 PLJJIXIMDSEXNU-NSHDSACASA-N 338.408 0.841 70 20 ECID CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1c[nH]cn1 159909436 VTVRFXYGPCMOMG-ZDUSSCGKSA-N 325.390 0.608 70 20 ECID CCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1006337968 GFYNSOWUMNJZQS-UISBYWKRSA-N 343.380 0.945 70 20 ECID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CN(C)CCN1C 1123690053 RZEXZPWKMUPISX-BXKDBHETSA-N 332.401 0.037 70 20 ECID C[C@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN(CCCO)C1 1046627557 HLYZECYKDFUVRS-ZDUSSCGKSA-N 333.385 0.250 70 20 ECID C#CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 968334201 HNFQPGGHPGPNRJ-ZWNOBZJWSA-N 327.381 0.746 70 20 ECID O=C(NCCNCC[C@H]1CCCO1)c1cc(S(=O)(=O)F)c[nH]1 1133976544 OTYDSJPMUJBYQB-SNVBAGLBSA-N 333.385 0.561 70 20 ECID CN(C[C@H]1CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)C1CC1 977262928 SHYRXKQNBBOZQH-SNVBAGLBSA-N 343.380 0.756 70 20 ECID CCOC(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263816060 RKUIGSNYFWLPML-SECBINFHSA-N 336.366 0.751 70 20 ECID C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCC[C@H](N)C1 161089160 DLMMKOYRDVSZHS-GARJFASQSA-N 331.463 0.801 70 20 ECID CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@](C)(O)C1 161506742 NMBLPZFPSPLIAL-PBHICJAKSA-N 340.468 0.486 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CCn1ccccc1=O 160631622 CILAKHFGAWWERC-STQMWFEESA-N 341.433 0.073 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc(C(N)=O)nc1 159608671 BBVXVZUGPOKGGV-UHFFFAOYSA-N 334.420 0.611 70 20 ECID CC(C)(C)N1C[C@@H](NC(=O)NCCN2C(=O)CSC2=O)CC1=O 217286169 YFLMUUWGYBXVHD-VIFPVBQESA-N 342.421 0.380 70 20 ECID Cc1nc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nn1C 460089666 DSCUROJLPBWKMG-UHFFFAOYSA-N 334.354 0.583 70 20 ECID CN(C)C(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1 864244394 VBWQXVKNULKWIO-LLVKDONJSA-N 328.365 0.895 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1[C@H]2CC[C@H]1CN(CCO)CC2 1039438110 GYABZEXTWFYNJI-QWRGUYRKSA-N 345.396 0.344 70 20 ECID CC[C@@H](F)C(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942442716 YKUZFJKQDLMWMR-PSASIEDQSA-N 349.359 0.752 70 20 ECID CO[C@@H](C)CN1CC([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970423475 KGYYJFSXAHLGSZ-VHSXEESVSA-N 347.412 0.758 70 20 ECID Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@H](C2CC2)N(C)C)c1 161213999 MMNBPAALLIAWMZ-CYBMUJFWSA-N 325.434 0.712 70 20 ECID C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCC2CCN(CCO)CC2)C1 161410381 AKCRXGXKFNJOML-OKILXGFUSA-N 333.498 0.503 70 20 ECID COC[C@@H](O)CCNC(=O)C(=O)Nc1cccc(Br)c1 159530978 XYCFIIPSBIMBKX-NSHDSACASA-N 345.193 0.901 70 20 ECID O=C(NCCNCCOCC1CC1)c1cc(S(=O)(=O)F)c[nH]1 1133982787 MRPHHILJAGBMBP-UHFFFAOYSA-N 333.385 0.419 70 20 ECID O=C(NCCNCC1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1133982704 IWDSUPKHPAEOAF-UHFFFAOYSA-N 333.385 0.419 70 20 ECID COCCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C(C)(C)C1 975050028 QJNQTHMJQNWDSY-GFCCVEGCSA-N 347.412 0.760 70 20 ECID C[C@H]1C[C@H]1CC(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999094455 FHGFDORVQGIPTB-IUCAKERBSA-N 343.380 0.660 70 20 ECID O=C(CCC(=O)NC1CCCC1)NC[C@@H](O)CN1CCCCC1 160428796 YIAGOOPTGVXWAK-OAHLLOKOSA-N 325.453 0.788 70 20 ECID COC[C@@H](O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O 159466856 ARMBAJNZZTZDJJ-XJKSGUPXSA-N 333.388 0.339 70 20 ECID COC(=O)Cn1cc(CCn2c(-c3ccccc3)noc2=O)nn1 159660719 UTPNURTUJLHJAV-UHFFFAOYSA-N 329.316 0.511 70 20 ECID C[C@@]1(O)CCCN(C(=O)NCc2cccnc2N2CCOCC2)C1 160243461 ORRAWYBXHQGNEZ-QGZVFWFLSA-N 334.420 0.975 70 20 ECID CC[C@@H]1C(=O)NCCN1C(=O)Cc1cccc(S(=O)(=O)CC)c1 159850863 UNPNJWONMSRSMN-CQSZACIVSA-N 338.429 0.760 70 20 ECID Cn1cnc(CNC(=O)CCc2ccc(S(=O)(=O)F)cc2)n1 1338036071 AMHRVFKCWRRTPG-UHFFFAOYSA-N 326.353 0.722 70 20 ECID CCN(CC)S(=O)(=O)NC[C@H](O)COc1ccc(F)c(F)c1 161285900 CQKLFBIPSNXXJN-JTQLQIEISA-N 338.376 0.881 70 20 ECID Cc1cc(C)n(CC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)n1 160239810 RGOXYRXHELMUJU-STQMWFEESA-N 328.438 0.334 70 20 ECID Cc1nn(C)c(C)c1C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 160259333 SKHRHZQYLLLCQQ-VXGBXAGGSA-N 328.438 0.485 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCN(C(=O)C2CC2)C1 936323757 LKQJNRHCCHKUCW-JTQLQIEISA-N 343.380 0.756 70 20 ECID COCC(=O)N1CC[C@@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 957612139 KXNTYOWDLPGZKK-CYBMUJFWSA-N 347.368 0.040 70 20 ECID CC(C)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090576113 JODVEPANCCITLK-WCQYABFASA-N 347.412 0.494 70 20 ECID C=CCOCCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185730432 DUOZBQTWFNGTPV-LLVKDONJSA-N 345.396 0.680 70 20 ECID CN(C)C(=O)[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1 1262787664 DZTXKLBEPUUVJI-NSHDSACASA-N 328.365 0.895 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(N2CCCC2=O)CC1 1519145946 IJMBWKOIGBHAGY-UHFFFAOYSA-N 343.380 0.900 70 20 ECID CNC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 161055055 WHGONEQDICMVEP-CQSZACIVSA-N 337.445 0.968 70 20 ECID Cc1c(C(=O)N2C[C@H](C)OC[C@@H]2C)cnc2c1c(=O)n(C)c(=O)n2C 161131750 XMXOFFIKWPZILX-UWVGGRQHSA-N 346.387 0.190 70 20 ECID COCc1nc2n(n1)C[C@H](Nc1nnc(Cl)cc1C(N)=O)CC2 161370682 TWEVXWSJEIBYND-SSDOTTSWSA-N 337.771 0.394 70 20 ECID NC(=O)[C@H]1CC[C@H](CNC(=O)c2c[nH]nc2-c2ccccc2F)O1 161400024 YFMDHAJRLJBVLD-NOZJJQNGSA-N 332.335 0.979 70 20 ECID CC[C@H](CN1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)OC 1038710948 RTQDEDWRGADIJO-WDEREUQCSA-N 347.412 0.902 70 20 ECID C[C@H]1CC[C@H](CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1166871679 NOXOCXNDRCIBPA-WDEREUQCSA-N 347.412 0.950 70 20 ECID CNC(=O)[C@@]12CCOC[C@H]1CN(c1ccc(S(=O)(=O)F)cn1)C2 1551409838 OHDHDLNXSQWAKL-QMTHXVAHSA-N 343.380 0.329 70 20 ECID CN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Cc1nccs1 1753063651 ACYKWWHBMOOVOA-UHFFFAOYSA-N 346.409 0.991 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1C[C@@H](C)OC(C)(C)C1)CC2 160637852 VXBHZYALLGDHTR-NEPJUHHUSA-N 337.424 0.948 70 20 ECID CC(=O)N[C@H]1CC[C@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1017882027 DGQISELAPCKAQD-WPRPVWTQSA-N 331.369 0.802 70 20 ECID O=C(CNC(=O)Cc1ccc(S(=O)(=O)F)cc1)NCC1CC1 1121181350 VXSYMDWYPQOSTH-UHFFFAOYSA-N 328.365 0.530 70 20 ECID CCCN1C[C@H]2[C@H](CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978718317 KOAPFOIRXLGYHW-CNDDSTCGSA-N 329.397 0.991 70 20 ECID CS(=O)(=O)c1ccccc1NC(=O)C(=O)NCCn1cccc1 160146225 CEKZFFXUVKFZNH-UHFFFAOYSA-N 335.385 0.647 70 20 ECID CC(C)S(=O)(=O)CCCN1CCN(CC(=O)NC2CC2)CC1 160578544 NUOKZZUSNUYPOQ-UHFFFAOYSA-N 331.482 0.096 70 20 ECID NC(=O)[C@H]1CCCN1C1CCN(CCOC[C@@H]2CCCO2)CC1 159373459 UVMOCQJAHWFGAN-JKSUJKDBSA-N 325.453 0.596 70 20 ECID C[C@@H]1[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1C(=O)C1CC1 1011357311 DQLLKRJWTGJYGT-LDYMZIIASA-N 343.380 0.802 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1CNC[C@@H](C)O 1106675843 QINSXPJQAKCAKE-GMTAPVOTSA-N 347.412 0.351 70 20 ECID C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 973831290 GHHOQEPQKHIJIS-SDNRWEOFSA-N 343.380 0.706 70 20 ECID O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@H]2CCCN3CCO)nc1 1551207411 XGFANKFQGNNBNH-CHWSQXEVSA-N 329.397 0.775 70 20 ECID Cc1c(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cnn1-c1ccccc1 161078930 XVLVZYYKBNUJNW-GFCCVEGCSA-N 341.371 0.453 70 20 ECID CC(C)C[C@H](CO)NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 161280471 PZGIIIASBPEONX-HZPDHXFCSA-N 334.416 0.937 70 20 ECID Cc1conc1NC(=O)C(=O)NCCN1C(=O)Cc2ccccc21 160949087 MHBUVYRDOVIQCS-UHFFFAOYSA-N 328.328 0.627 70 20 ECID C[C@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H](C)C1 159699642 QKBOPYWCEKFITR-WDEREUQCSA-N 329.422 0.141 70 20 ECID C[C@@H]1CC[C@@H](CN2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)O1 1030972137 NPLMBNVEKDPLAB-KOLCDFICSA-N 345.396 0.654 70 20 ECID O=C(Oc1ccc(-n2cnnn2)cc1)c1cc(S(=O)(=O)F)c[nH]1 1120784720 CQWFFIOMAMJVOD-UHFFFAOYSA-N 337.292 0.868 70 20 ECID O=C(Nc1c[nH]nc1-c1nn[nH]n1)c1cccc(S(=O)(=O)F)c1 1582650326 PHGGCKJSJZJNKT-UHFFFAOYSA-N 337.296 0.500 70 20 ECID COCc1nc2n(n1)C[C@H](Nc1nnnn1-c1ccccc1)CC2 161343603 SDVZMRBRXNYNIO-LLVKDONJSA-N 326.364 0.827 70 20 ECID CCC[C@@H](NC(N)=O)C(=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 160169835 GZCNZURHFCWGAE-KFWWJZLASA-N 340.468 0.708 70 20 ECID CCC[C@H]1CN(C(=O)NCCCNC(C)=O)CCN1CCOC 160402398 KUOBKHIGVUGLLW-HNNXBMFYSA-N 328.457 0.655 70 20 ECID CN1CC[C@H](CNC(=O)C(=O)Nc2ccc3oc(N(C)C)nc3c2)C1 160765765 ATHGYOSPXDEVCT-LLVKDONJSA-N 345.403 0.900 70 20 ECID O=C(NCCNS(=O)(=O)c1cccs1)NCCn1ccnc1 160890659 FUSCJZQKCIABTG-UHFFFAOYSA-N 343.434 0.222 70 20 ECID CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 159854072 URWUAKXKKHRWSP-RYUDHWBXSA-N 345.403 0.969 70 20 ECID C[C@H](O)CN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008546078 GHKJPGPFKMLYOU-VHSXEESVSA-N 333.385 0.248 70 20 ECID C[C@@H](O)CN[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1000236083 NYXNMXLRYUUEFS-NXEZZACHSA-N 333.385 0.248 70 20 ECID CO[C@H](C)CN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008547740 QQBXWQONUMUTCN-GHMZBOCLSA-N 347.412 0.902 70 20 ECID COCCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033430578 XLRRCWFJOJQRNC-JTQLQIEISA-N 333.385 0.466 70 20 ECID COC[C@@H](C)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1031983817 NBZQRWWZJNKIRO-SECBINFHSA-N 333.385 0.369 70 20 ECID CCNC(=O)COc1cccc(CNC(=O)c2cccc(=O)n2C)c1 160490114 FXEOGFKSGJRJFM-UHFFFAOYSA-N 343.383 0.830 70 20 ECID COC(=O)c1occc1CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 159444369 WXFLMLKEGPDJOQ-UHFFFAOYSA-N 345.355 0.713 70 20 ECID NC(=O)c1cccc(CCNC(=O)c2n[nH]c3ccccc3c2=O)c1 217144785 JVNJROKDRKKCHH-UHFFFAOYSA-N 336.351 0.995 70 20 ECID COCC(=O)N1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1012172363 NAOJGKRAFHWXFZ-RKDXNWHRSA-N 347.368 0.039 70 20 ECID O=C(NC[C@H]1CCCN1CCCO)c1cc(S(=O)(=O)F)c[nH]1 1028141136 GOEWZRQZJGHDAP-SNVBAGLBSA-N 333.385 0.250 70 20 ECID O=C(NC[C@@H]1CCCCCN1CCO)c1cc(S(=O)(=O)F)c[nH]1 969027467 FFNROKGULJQYGZ-NSHDSACASA-N 347.412 0.640 70 20 ECID C[C@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999955735 QUFZDLFZKYAFRY-XVKPBYJWSA-N 329.353 0.270 70 20 ECID CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(F)cccc1F 160170999 ZMNBYCYUXMKURO-SECBINFHSA-N 339.385 0.914 70 20 ECID COC(=O)C[C@H](C)N1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 160683479 QWUGJAQHKWDTOV-LBPRGKRZSA-N 345.403 0.678 70 20 ECID CC(=O)N1CCN(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)CC1 217282541 FCYDUZCGKHUEGY-UHFFFAOYSA-N 340.405 0.754 70 20 ECID O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1CCS(=O)(=O)F 916622602 BSRBTAREYVIKOF-CYBMUJFWSA-N 328.321 0.516 70 20 ECID N#CCN[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C12CCC2 1078728321 GTDLEGCLRKJDLM-RYUDHWBXSA-N 340.380 0.827 70 20 ECID C[C@@]1(C(N)=O)CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1 1262796536 DZDKCYUWWONZKX-CQSZACIVSA-N 328.365 0.611 70 20 ECID CC(C)OCCN[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1752665384 NUZZPQXKSAXUOY-XYPYZODXSA-N 347.412 0.948 70 20 ECID Cn1cc(N2CC[C@H](NC(=O)[C@H]3Cc4ccccc4CN3)C2=O)cn1 161141022 LJISKTVQCSBYTO-JKSUJKDBSA-N 339.399 0.356 70 20 ECID COC[C@H](O)CNC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 159442801 JBGDNANBBXITQL-XJKSGUPXSA-N 339.411 0.460 70 20 ECID CC#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008546536 JFGBFVYFQRDQBT-LLVKDONJSA-N 327.381 0.890 70 20 ECID CC1(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1 974215335 JYKLQAMOXJCFAX-DTORHVGOSA-N 343.380 0.850 70 20 ECID CC[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1077690049 TZGJBJQLRABBPN-ZWKOPEQDSA-N 347.412 0.494 70 20 ECID CCN1CCN(C(=O)[C@H](C)N2CCN(Cc3ccncc3)CC2)CC1 161171970 SLMSZEFHEVJJKY-KRWDZBQOSA-N 345.491 0.752 70 20 ECID O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)N1CC(O)C1 161442251 IHVGSIBMRHDRCD-UHFFFAOYSA-N 330.319 0.362 70 20 ECID Cc1conc1NC(=O)C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 160113622 PCUBAMGLOCYOBZ-TXEJJXNPSA-N 338.408 0.926 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@@H]2C(=O)NC)c1CC 160317731 AIXDWPHNHREXNX-CYBMUJFWSA-N 335.408 0.315 70 20 ECID C[C@@H](N)[C@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)CCO1 852740337 BJOLAXKCMMSYCC-RNFRBKRXSA-N 342.286 0.493 70 20 ECID CNC(=O)C(C)(C)CNC(=O)Cc1ccc(S(=O)(=O)F)cc1 1121081467 DGDGTCBJABCBQN-UHFFFAOYSA-N 330.381 0.776 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C[C@H](C)OC)C1 951760734 KCGSAORGECMEEP-JTQLQIEISA-N 347.412 0.854 70 20 ECID CCOCCN1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1229207974 FBICCUUXISJYIX-UHFFFAOYSA-N 347.412 0.904 70 20 ECID COC(=O)[C@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C1CC1 1337404850 WFRDMRQTUJHNKQ-CYBMUJFWSA-N 329.349 0.955 70 20 ECID CCc1c(C(=O)N2CCN(c3cnccn3)CC2)[nH]c(C)c1C(N)=O 161128464 PUYCCRQUITWVBK-UHFFFAOYSA-N 342.403 0.737 70 20 ECID C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)CN(C)S(C)(=O)=O 161198052 HAYLQNFZRDBMGT-SNVBAGLBSA-N 330.381 0.795 70 20 ECID CCN(CCCN1CCCCC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 160459077 VDGZDCYSPCOFMZ-OAHLLOKOSA-N 345.509 0.488 70 20 ECID CCCC(=O)N1CCCC[C@H]1C(=O)NCC1CCN(CCO)CC1 160639798 RBXNUPDCSJTTQQ-INIZCTEOSA-N 339.480 0.988 70 20 ECID N[C@H]1CCC[C@@H](NC(=O)c2nc3ncc(Br)cn3n2)C1 160857060 MDBPTWMILLENTG-DTWKUNHWSA-N 339.197 0.887 70 20 ECID CNC(=O)CCCN(C)S(=O)(=O)c1cnc2onc(C)c2c1 159415390 XXYHAJXKYUWKPJ-UHFFFAOYSA-N 326.378 0.678 70 20 ECID CC[C@H](NC(=O)N(CCN(C)C)C(C)C)C(=O)N1CCOCC1 159517461 VPKSJSAEXZJTCP-AWEZNQCLSA-N 328.457 0.605 70 20 ECID O=C(CCc1ccc(S(=O)(=O)F)cc1)NCCNC(=O)C1CC1 1340101894 OPTXKWUFICWEQX-UHFFFAOYSA-N 342.392 0.920 70 20 ECID O=C(NC[C@@]1(C(=O)O)CCOC1)c1ccc(S(=O)(=O)F)cc1 1601473424 UHVUWVOKHZEYSC-ZDUSSCGKSA-N 331.321 0.566 70 20 ECID CCOCCNC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1100684555 JFZDIWZKEJDJLT-UHFFFAOYSA-N 347.412 0.807 70 20 ECID CCOCCCN1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1753409405 DHVICBSOVDRMKD-UHFFFAOYSA-N 347.412 0.761 70 20 ECID CS(=O)(=O)Cc1cc(F)ccc1NS(=O)(=O)c1cn[nH]c1 161051300 DAPXKZUBMYQPIK-UHFFFAOYSA-N 333.366 0.894 70 20 ECID CNS(=O)(=O)c1cccc(CNC(=O)[C@]2(C)CCCNC2)c1 161367465 XFKUFQMMUADNNT-OAHLLOKOSA-N 325.434 0.601 70 20 ECID O=C(CCS(=O)(=O)C1CCCC1)NCC1CCN(CCO)CC1 160723190 CDTUMSLAAMWOMW-UHFFFAOYSA-N 346.493 0.554 70 20 ECID COCCN(CC(F)F)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 160771365 KGTPGXIGHBFBDT-SNVBAGLBSA-N 347.366 0.662 70 20 ECID CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H](CO)CC(C)C)cnc21 160781623 LTQAZWZUBVVBLX-GFCCVEGCSA-N 348.403 0.632 70 20 ECID Cc1c(CNC(=O)NCC(=O)N(C)CCc2ccccn2)cnn1C 160949489 QYANXINIDBGFNE-UHFFFAOYSA-N 344.419 0.624 70 20 ECID O=C(Cn1nnc(-c2ccccc2)n1)NC[C@H](O)COCC1CC1 159411884 PFAQAWLRQIBIHC-AWEZNQCLSA-N 331.376 0.244 70 20 ECID Cn1cc(S(=O)(=O)N2CCC(Cn3ccnn3)CC2)nc1Cl 159480793 FGIHYBIRGWSDBS-UHFFFAOYSA-N 344.828 0.766 70 20 ECID NC(=O)c1csc(CNC(=O)c2cccc(S(=O)(=O)F)c2)n1 1349545403 BJYISBRUJUCNIF-UHFFFAOYSA-N 343.361 0.830 70 20 ECID NC(=O)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1 1517955924 KCARALAQXNNMCX-UHFFFAOYSA-N 339.348 0.631 70 20 ECID CN(C)C(=O)CN1CCC(NC(=O)N(C)Cc2cccn2C)CC1 161134085 CHTQNUYYXCXWJV-UHFFFAOYSA-N 335.452 0.719 70 20 ECID Cn1nncc1CN1CCN(C(=O)COc2ccc(F)cc2)CC1 160599225 HQDLZWCOCVHLBC-UHFFFAOYSA-N 333.367 0.677 70 20 ECID CCOC(=O)NCCCC(=O)NCCN1CCC(N(C)C)CC1 160912007 VMTBWPBBEFIUJY-UHFFFAOYSA-N 328.457 0.655 70 20 ECID Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 159894493 WUPUXOZUEMIGOZ-MRVPVSSYSA-N 340.405 0.638 70 20 ECID CCC(=O)N1C[C@@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 1009539685 UOUMKVHGJWBFAS-GHMZBOCLSA-N 343.380 0.517 70 20 ECID C[C@@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCS(=O)(=O)C1 864238788 UCKGNHXWJGSHIM-GFCCVEGCSA-N 335.378 0.652 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2CN(CCF)C[C@@H]2C1 1049065803 YIJQGRDTKQVKEY-AOOOYVTPSA-N 333.360 0.646 70 20 ECID C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC(C)(C)N 160032201 WUALJDWQUMKTNE-VIFPVBQESA-N 333.841 0.860 70 20 ECID CN[C@H]1CCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C1 160685314 UJKVMGNZRAZLER-HNNXBMFYSA-N 333.436 0.766 70 20 ECID CC[C@@H](CCO)NC(=O)CCNS(=O)(=O)c1ccccc1F 159371342 LTJRERLKCUMCSQ-NSHDSACASA-N 332.397 0.771 70 20 ECID O=C(NCCCOC[C@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1340089119 XGRPLLJXZRJBAU-SNVBAGLBSA-N 334.369 0.846 70 20 ECID Cc1ccn2c(=O)c(C(=O)NC[C@@H](O)CN3CCCCC3)cnc2c1 160398578 HEOYETROYMGOMJ-CQSZACIVSA-N 344.415 0.580 70 20 ECID CN(CCc1ccccn1)C(=O)CNC(=O)N(C)C[C@H]1CCC[C@H]1O 160611216 WPNKUGNTAWZSPX-GDBMZVCRSA-N 348.447 0.885 70 20 ECID COCCOC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1340081934 JLOSMCQNWMNSNR-SNVBAGLBSA-N 334.369 0.798 70 20 ECID C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1010078961 WUALXILPDKBVIV-KOLCDFICSA-N 343.380 0.613 70 20 ECID O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(S(=O)(=O)F)cc1 865209109 HNTJYOZJMCJEIO-UHFFFAOYSA-N 342.308 0.880 70 20 ECID CC[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCCO 1087728688 LLTJKLISSYASBF-WCQYABFASA-N 347.412 0.638 70 20 ECID O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1cc(S(=O)(=O)F)c[nH]1 1354887270 ZJAMVSBAGKVWFL-QMMMGPOBSA-N 338.382 0.228 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCOC[C@H]1C(=O)O 1594328383 PVUGVHWIGFDIPQ-NSHDSACASA-N 331.321 0.579 70 20 ECID CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 159648049 UJZHISOFSNSVGE-SYQHCUMBSA-N 342.461 0.717 70 20 ECID CCNC(=O)CN1CCN(C(=O)CCCc2nc(C3CC3)no2)CC1 159454489 FQMQBPZCABWMDS-UHFFFAOYSA-N 349.435 0.550 70 20 ECID O=C(NC[C@H]1CCCCN1CCCO)c1cc(S(=O)(=O)F)c[nH]1 1024651659 AOGARUAZHDNNPU-LLVKDONJSA-N 347.412 0.640 70 20 ECID C#CCN1C[C@@H](C)[C@H](CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1103444649 CNXKLBOVGRQRAY-VXGBXAGGSA-N 341.408 0.994 70 20 ECID N#CCN1CCC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1072990346 YHNUTHUXPRDOCI-UHFFFAOYSA-N 326.353 0.344 70 20 ECID CN1CC[C@H](N(C)C(=O)CCc2ccc(S(=O)(=O)F)cc2)C1=O 1338835050 RNOSUYNMHWCYNK-ZDUSSCGKSA-N 342.392 0.967 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1CCC(COC)CC1)CC2 161157033 QLSJZSHZUUREEQ-CYBMUJFWSA-N 337.424 0.807 70 20 ECID NC(=O)c1cnn2c(C(=O)N[C@@H](CO)Cc3ccccc3)ccnc12 160167198 CBEXKSVLPWKKHJ-GFCCVEGCSA-N 339.355 0.162 70 20 ECID CC[C@@H](CCO)NC(=O)[C@H](CCSC)NS(=O)(=O)CC 160118167 OLCONFUEOOCAIW-QWRGUYRKSA-N 326.484 0.325 70 20 ECID C[C@H](NC(=O)C1CC1)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1005561617 BTHAYDBABMBBQO-QMMMGPOBSA-N 343.380 0.660 70 20 ECID CC(C)CN1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035509436 DCIKVTMIZKAAMJ-LLVKDONJSA-N 347.412 0.760 70 20 ECID Cn1nccc1CN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1030965985 DTFGLFCSWAVEBV-UHFFFAOYSA-N 341.368 0.021 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]2CC[C@@H](C1)N2CCO 1045851360 BUWUMFRIQNISBG-MNOVXSKESA-N 345.396 0.344 70 20 ECID Cn1cc([C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CCN2)cn1 1352376293 YAANWNAMVGGZOI-LBPRGKRZSA-N 341.368 0.193 70 20 ECID Cn1c(=O)c2cc(NC(=O)NCC3(C4CC4)CC3)cnc2n(C)c1=O 160053744 BRQXRTVUAHMGLY-UHFFFAOYSA-N 343.387 0.944 70 20 ECID CCc1cc(O)nc(CN2CCN(CC(=O)N3CCCCC3)CC2)n1 160597440 XMQNDZQHRSRPGW-UHFFFAOYSA-N 347.463 0.875 70 20 ECID C[C@@H](O)CN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141758 POVMUOSHHFFUDE-ZJUUUORDSA-N 333.385 0.248 70 20 ECID O=C(N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C(F)F 937586126 ILTBDZQIKVLRTB-LURJTMIESA-N 339.295 0.269 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@@H]1CCS(=O)(=O)C1 1120830285 OIOQNJYXDQAPBC-SNVBAGLBSA-N 335.378 0.191 70 20 ECID CC(C)N1C[C@H]2[C@H](CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978728683 WWJLSKCUAZTKTI-CNDDSTCGSA-N 329.397 0.989 70 20 ECID O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC(O)C1 161487750 JKFMPUMOTJODPY-UHFFFAOYSA-N 330.431 0.278 70 20 ECID CN(C)S(=O)(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 160005389 BMHQNUOFPCYXIB-SNVBAGLBSA-N 342.339 0.841 70 20 ECID Cc1conc1NC(=O)C(=O)NC[C@H](CC(C)C)N1CCOCC1 160126853 HISNDYWXDDLSQM-ZDUSSCGKSA-N 338.408 0.785 70 20 ECID CC(=O)c1csc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 159488725 NTKOKZAPTPVRQO-SNVBAGLBSA-N 330.431 0.962 70 20 ECID C#CCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1036196379 VMKHPXJETPRMFT-PWSUYJOCSA-N 327.381 0.746 70 20 ECID CCN(C(=O)NCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 217263743 SGQDAUZHLMGBEW-LLVKDONJSA-N 349.453 0.730 70 20 ECID CCN(C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 217285896 MYWFTYUSKVYZLY-NWDGAFQWSA-N 345.465 0.604 70 20 ECID Cc1cc(N(C)CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)ncn1 1100330329 MTYAPZDAFRXFCC-UHFFFAOYSA-N 341.368 0.638 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C[C@@H](C)OC)C1 951760735 KCGSAORGECMEEP-SNVBAGLBSA-N 347.412 0.854 70 20 ECID CC(C)C(=O)N1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 977206096 FBRAVOCRXFIKGC-IAZYJMLFSA-N 343.380 0.516 70 20 ECID C[C@@H](O)CN1CCC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1072989897 PKQSZHWQLGGNDF-SNVBAGLBSA-N 345.396 0.202 70 20 ECID O=C(NC[C@H]1CCCCS1(=O)=O)c1cc(S(=O)(=O)F)c[nH]1 1262732626 OWOAYCXFUGUUKD-MRVPVSSYSA-N 338.382 0.370 70 20 ECID CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1 161150856 MDYNOJVOJKRKIQ-CYBMUJFWSA-N 326.418 0.924 70 20 ECID O=S(=O)(NCC1CCN(CCO)CC1)c1c[nH]c2ncccc12 161420992 DMPUOELLHYETHH-UHFFFAOYSA-N 338.433 0.546 70 20 ECID Cc1cc(N[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)nn1C 159627025 SFUWEZIVULFDAX-CYBMUJFWSA-N 329.408 0.668 70 20 ECID CN(CC#N)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1027582782 PCSKPVFUEWPQAS-SNVBAGLBSA-N 328.369 0.733 70 20 ECID COCCNC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1100684851 NOSZWWGFAHMAMJ-UHFFFAOYSA-N 333.385 0.417 70 20 ECID C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(S(=O)(=O)F)cc1 864240031 UINXDCUJCGGDET-VIFPVBQESA-N 337.394 0.850 70 20 ECID CCCC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942441993 YTWVVWXEOLUYBX-SECBINFHSA-N 331.369 0.804 70 20 ECID O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCF)c1cc(S(=O)(=O)F)c[nH]1 1096026173 OBWPFUJYIVPFGM-QRTLGDNMSA-N 333.360 0.978 70 20 ECID C[C@@H](CCS(C)(=O)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1338389935 MRCTZYMUNBKADP-ZETCQYMHSA-N 326.371 0.226 70 20 ECID CN(C)CCN(C)CCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1349622146 DPZCIUULQBDBSV-UHFFFAOYSA-N 348.444 0.628 70 20 ECID CC[C@@](COC)(NC(=O)c1cccc(S(=O)(=O)F)c1)C(=O)O 1605051839 BFQUFPKFJQFZPQ-ZDUSSCGKSA-N 333.337 0.954 70 20 ECID C[C@H]1C[C@@H](NCCCO)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1755687533 YSKKAFRRRBTCJP-VHSXEESVSA-N 333.385 0.248 70 20 ECID COC[C@H](O)CCNC(=O)CCC(=O)N1CCc2sccc2C1 161285032 BXWFINFAUVBFMH-CYBMUJFWSA-N 340.445 0.927 70 20 ECID COCCN(CC(=O)N(C)C)C(=O)c1ncn(-c2ccccc2)n1 160165351 UYTBPZFSDFPCTJ-UHFFFAOYSA-N 331.376 0.444 70 20 ECID C[C@H]1CCC[C@@H](C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 160490232 HLXFOTIXNVJTDS-YNEHKIRRSA-N 330.450 0.622 70 20 ECID COC[C@@H](C)N(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192399050 UXTWGDGJGSIDFD-GHMZBOCLSA-N 347.412 0.854 70 20 ECID C[C@]1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN(CC#N)CCO1 1108219565 GSNVEVBXZZWSOL-ZDUSSCGKSA-N 344.368 0.017 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCC[C@@H]1CNCCO 1317191105 ALUCNNVUSADMLT-SNVBAGLBSA-N 333.385 0.250 70 20 ECID O=C(O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1601786716 KLVJRPLALUFVBV-POZPLHJXSA-N 330.337 0.998 70 20 ECID CN(CC(=O)NCCc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 160202438 JQVREYXIROBCIM-ZDUSSCGKSA-N 326.418 0.170 70 20 ECID O=C(CNC(=O)Cc1ccccc1)NC[C@@H](O)CN1CCCCC1 160228305 SRKGJZOGCPJXEL-MRXNPFEDSA-N 333.432 0.308 70 20 ECID CC[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)c1c(C)noc1C 160457670 NVQIQAOUDAEVKY-GFCCVEGCSA-N 329.422 0.589 70 20 ECID CCC(CC)[C@@H](O)CNC(=O)N[C@H]1CCc2nc(COC)nn2C1 160646577 UBHIPJLFGFHVGY-STQMWFEESA-N 339.440 0.836 70 20 ECID CCS(=O)(=O)N(C)CCCNC(=O)c1cnc2c(c1)ncn2C 159698975 OFHCNPCZSXJDFX-UHFFFAOYSA-N 339.421 0.370 70 20 ECID CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1006339726 OJWMHJKQTKDJJW-UISBYWKRSA-N 329.353 0.555 70 20 ECID C[C@@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1000759855 CYFCOAJEVCNYEF-KCJUWKMLSA-N 343.380 0.517 70 20 ECID CCC(=O)N1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 1013808942 YHBJGUNOJURJFL-IUCAKERBSA-N 329.353 0.270 70 20 ECID C[C@@H](O)CN1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1023590843 HTOYSETUWDPREN-GHMZBOCLSA-N 347.412 0.496 70 20 ECID CC1(C)CN(CC#N)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 975054226 ZDDFZLQAJGQSAH-NSHDSACASA-N 328.369 0.637 70 20 ECID COCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1088864373 HGOXAUQTJOPSPL-KOLCDFICSA-N 333.385 0.512 70 20 ECID O=C(c1cccc(S(=O)(=O)F)c1)N1CCO[C@@H]2COCC[C@@H]21 1518442796 JCQCOFBUDZBQBG-QWHCGFSZSA-N 329.349 0.975 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)co1 160380346 LVFFIDZUIMXABW-DGCLKSJQSA-N 341.433 0.744 70 20 ECID CC(=O)NCc1ccc(C(=O)NCC2CCN(CCO)CC2)s1 160727252 OQTJCKHHWZYSSR-UHFFFAOYSA-N 339.461 0.818 70 20 ECID C[C@@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H](C)C1 159699509 QKBOPYWCEKFITR-GHMZBOCLSA-N 329.422 0.141 70 20 ECID CN1CCO[C@H]2CN(C(=O)CNC(=O)c3cccc(Cl)c3)C[C@@H]21 159721629 VQSGDABNRJIIHP-KBPBESRZSA-N 337.807 0.611 70 20 ECID COC[C@@H](O)CNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 159385564 WTTXHEORZMWCFI-MNOVXSKESA-N 328.800 0.620 70 20 ECID CC(=O)N1CC[C@H](NC(=O)Cn2cc(Br)ccc2=O)C1 159387054 FYLYKVVCPJXBOB-NSHDSACASA-N 342.193 0.348 70 20 ECID O=C(OCC(=O)N1CCCC1=O)c1ccc(S(=O)(=O)F)cc1 838088080 OAQLMBGGEDDCGZ-UHFFFAOYSA-N 329.305 0.651 70 20 ECID CO[C@@H](C)CNC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1100684979 UQBMQKANAUVIJW-WHXUTIOJSA-N 347.412 0.806 70 20 ECID N#CCN1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]2C1 1049065797 YBZBIANZBZZEAO-AOOOYVTPSA-N 326.353 0.200 70 20 ECID C[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H]1CN(C)CCO1 889637585 ZUACTUUYUZHLIG-MFKMUULPSA-N 330.381 0.794 70 20 ECID O=C(NC[C@H]1CCC2(CNC2)O1)c1cccc(S(=O)(=O)F)c1 1580650240 UTQCVUPEPXVMQS-LLVKDONJSA-N 328.365 0.596 70 20 ECID O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 161386880 BIKHVBBPZQQNFF-OAHLLOKOSA-N 345.447 0.212 70 20 ECID CN(CCN1CCN(c2ccccc2)CC1)S(=O)(=O)c1c[nH]cn1 160351072 BQECNRSDIFJKRV-UHFFFAOYSA-N 349.460 0.852 70 20 ECID COC[C@@H](O)CNC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 159442601 JBGDNANBBXITQL-BBRMVZONSA-N 339.411 0.460 70 20 ECID CC(C)CN(CC(N)=O)C(=O)Cn1nc(-c2ccccc2)ccc1=O 159696283 CBXQHCZEPNRXNW-UHFFFAOYSA-N 342.399 0.880 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCCC[C@@H](NCCO)C1 1088383569 HKCXCQMQWMDYJP-LLVKDONJSA-N 347.412 0.640 70 20 ECID C[C@H](C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CC1 999950885 AZXYHQSDLKQUPI-QMMMGPOBSA-N 343.380 0.660 70 20 ECID O=C(Nc1cccc(-c2nn[nH]n2)n1)c1cc(S(=O)(=O)F)c[nH]1 1593245431 LURMIHYNGWFECJ-UHFFFAOYSA-N 337.296 0.500 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2CC[C@H](C1)N2CCF 1029478565 RPVROALZKDNUEW-AOOOYVTPSA-N 333.360 0.931 70 20 ECID O=C(N[C@H]1CCN(C(=O)C(F)F)C1)c1cc(S(=O)(=O)F)c[nH]1 938844893 UTDJYNCCJKZXGM-LURJTMIESA-N 339.295 0.269 70 20 ECID CC(=O)N1CC[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 953225968 SUJFASYLARFKLE-ZWNOBZJWSA-N 343.380 0.756 70 20 ECID Cc1conc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133981478 PZLLYQAUQUTSTE-UHFFFAOYSA-N 330.341 0.489 70 20 ECID CC(=O)N1C[C@@H]2CCCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 963842845 POIZSZOIRRSTOH-GXFFZTMASA-N 343.380 0.756 70 20 ECID CC(C)N[C@H](C)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 979385038 FMCNPWOARCPTPH-MFKMUULPSA-N 347.412 0.900 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1CNCCO 1185154823 CVUHMQHEBPXVJY-GHMZBOCLSA-N 347.412 0.353 70 20 ECID N[C@@H]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2F)C1 161173347 GUZOVGZCCCLUEW-NEPJUHHUSA-N 343.424 0.880 70 20 ECID CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC(N)(CC)CC)ccc21 160512335 LBAYNFHGNYVFRP-UHFFFAOYSA-N 332.404 0.957 70 20 ECID NC(=O)C[C@H]1CCCN(C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 159406082 ZEWFJYBKCGWYLK-SNVBAGLBSA-N 347.354 0.921 70 20 ECID CCC(CC)(CNC(=O)N[C@@H](C)CN1CCN(C)CC1)C(=O)OC 159856782 OYOVPADUPUFQDB-AWEZNQCLSA-N 342.484 0.901 70 20 ECID CNC(=O)CCCN(C)S(=O)(=O)c1ccc2oc(=O)ccc2c1 159399761 XCDPWGFPIJMBQD-UHFFFAOYSA-N 338.385 0.940 70 20 ECID C#CCCN1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]2C1 1049067608 LXULHAPAIITJBR-TXEJJXNPSA-N 339.392 0.700 70 20 ECID CN(C(=O)C1CC1)C1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1016148981 LYHMOJXOQTUNOM-UHFFFAOYSA-N 343.380 0.802 70 20 ECID CCOCCCNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166879727 OSCRXUFIVXXMBM-UHFFFAOYSA-N 335.401 0.809 70 20 ECID C[C@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)N1CCNCC1=O 1575083264 UNTXAPLVCNNQEA-SECBINFHSA-N 329.353 0.104 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 161478048 FHGDJMHDWXMEEU-HZPDHXFCSA-N 340.395 0.713 70 20 ECID C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C(N)=O)C2)CN1Cc1ccccc1 160092062 DXSQGOUVWSPJRD-BMFZPTHFSA-N 346.431 0.545 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1cn(-c2ccccc2)nn1 160326940 MYXHJACLRSEPMG-OAHLLOKOSA-N 329.404 0.844 70 20 ECID COc1ccc(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)nn1 160680230 PTFUMDLPEIRUTK-HUUCEWRRSA-N 334.420 0.983 70 20 ECID Cn1c(C(=O)NC[C@]2(N3CCOCC3)CCSC2)cccc1=O 160870202 RAEHZUGQSXZPGV-MRXNPFEDSA-N 337.445 0.323 70 20 ECID CC(C)N1C[C@H](NC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O 217288063 VJONPNVWLKCITJ-LLVKDONJSA-N 340.405 0.465 70 20 ECID CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1 217288437 IEBNCFNRPJLIBQ-CHWSQXEVSA-N 325.409 0.980 70 20 ECID O=C(NC[C@H]1CN(CC2CC2)C[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1 958413808 USRNCNCFRCTZSO-GXFFZTMASA-N 345.396 0.105 70 20 ECID C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2cnn(C)c2)CC1 161426631 BLZZQTBRZXVISM-GFCCVEGCSA-N 330.454 0.133 70 20 ECID C[C@@H]1CCCN(C(=O)CN2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 159452501 NZISXGGNXMMWGY-CQSZACIVSA-N 346.431 0.391 70 20 ECID CCn1cc(NC(=O)C(=O)NC[C@H]2CCN(CC(C)C)C2)ccc1=O 159468401 NVMRQSOIMDJJSH-CQSZACIVSA-N 348.447 0.901 70 20 ECID CC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1025941823 CNBXUWRCYAERPA-GAFUQQFSSA-N 343.380 0.802 70 20 ECID C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1C(=O)C1CC1 1012133694 VHISDPDPQOEZEB-SCZZXKLOSA-N 343.380 0.802 70 20 ECID C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC([C@H](O)C(F)(F)F)CC1 161226848 MMNPGZOFWGQJDN-KWQFWETISA-N 337.342 0.998 70 20 ECID CNS(=O)(=O)c1cc(C(=O)NCc2ccc(O)c(F)c2)co1 160313568 KHBWNDCQAAGOAT-UHFFFAOYSA-N 328.321 0.962 70 20 ECID C#CCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 942861005 WLPAXHJTYQTCAV-ZYHUDNBSSA-N 327.381 0.746 70 20 ECID C#CCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1201420663 NRCOACBLPYLMLA-LLVKDONJSA-N 343.380 0.127 70 20 ECID C[C@H](O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1097873672 PQIMQJPPVVNCKS-JQEKQURRSA-N 345.396 0.389 70 20 ECID C#CCN1C[C@@H](C)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1092967776 GEUQYRMVMZGSCP-GHMZBOCLSA-N 327.381 0.604 70 20 ECID CN1CCN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1346292223 YSNGGSCXWPFODD-UHFFFAOYSA-N 346.428 0.429 70 20 ECID Cc1cc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)no1 1347810368 VFRVKOJAWWTAMY-UHFFFAOYSA-N 344.324 0.680 70 20 ECID C[C@H](CN1CCOCC1)NC(=O)Nc1ccnn1C[C@@H]1CCOC1 159380253 YUALAGKRCJAHCL-KGLIPLIRSA-N 337.424 0.762 70 20 ECID CS(=O)(=O)CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1 1527977993 XOGRLYWEPQUSRD-UHFFFAOYSA-N 338.382 0.322 70 20 ECID CN[C@H]1CCN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)C1 160707758 GCXZOAFPAGEOOU-FZMZJTMJSA-N 337.445 0.831 70 20 ECID Cc1ccc(-n2ccnc2)c(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 160987794 BAGYFMJBRFDXLH-WFASDCNBSA-N 328.372 0.943 70 20 ECID O=C(O)[C@@H]1C[C@H](F)CN1C(F)(F)COS(=O)(=O)C(F)(F)F 903615350 UFXGFKADYXGJFM-WHFBIAKZSA-N 345.217 0.942 70 20 ECID COC[C@H](C)N1CC[C@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046628838 RVTZRTUWXCVRJU-HZMBPMFUSA-N 347.412 0.902 70 20 ECID COCCCCCNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133981087 GTFQWVLEPYPTEB-UHFFFAOYSA-N 335.401 0.809 70 20 ECID O=C(NCCCNCC[C@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1166871902 WOWCFDBVMCKROX-NSHDSACASA-N 347.412 0.809 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H](C2OCCO2)C1 1263716852 OVAVGKCWXBSTQM-VIFPVBQESA-N 332.353 0.898 70 20 ECID CN1C[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)CCC1=O 160335281 ISUDZFSIWYWWLG-OAHLLOKOSA-N 331.420 0.530 70 20 ECID O=C(NC[C@H]1CCN1C(=O)C1CC1)c1cc(S(=O)(=O)F)c[nH]1 952163846 FVRGEYDNFLMACU-SECBINFHSA-N 329.353 0.414 70 20 ECID C#CCCN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1084669014 VXKDVTNWEGDUQG-BXUZGUMPSA-N 339.392 0.843 70 20 ECID CC#CCN1C[C@@H](C)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1092976391 MVUZDJCQDOYDQU-VXGBXAGGSA-N 341.408 0.994 70 20 ECID O=C(Cc1ccc(OCc2ccccn2)cc1)NCc1n[nH]c(=O)[nH]1 160121093 ZNPFDIPRYCXQQA-UHFFFAOYSA-N 339.355 0.931 70 20 ECID COCc1cc(N2CCC[C@@H]2CN2CCOCC2)n2ncnc2n1 160426420 BYRISASKARXZCI-CQSZACIVSA-N 332.408 0.572 70 20 ECID CC(C)C[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccccc1 160930784 INSAEZQSNGLVSI-ZDUSSCGKSA-N 328.434 0.878 70 20 ECID CN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(S(=O)(=O)F)c1 1262732957 ZZOBYPSIQSEWPM-NSHDSACASA-N 346.405 0.948 70 20 ECID O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1077690169 ZQCRYETVQUTGHN-CHWSQXEVSA-N 345.396 0.248 70 20 ECID O=C(NCc1nc(C(F)(F)F)n[nH]1)c1cc(S(=O)(=O)F)c[nH]1 1519745101 HTHQTXYJSGYUQX-UHFFFAOYSA-N 341.246 0.740 70 20 ECID CS(=O)(=O)c1cccc(C(=O)NC[C@H](O)CN2CCCCC2)c1 160339940 WXVNTRIVAAYGRA-AWEZNQCLSA-N 340.445 0.667 70 20 ECID Cn1cc(N2CCC[C@@H](N3CCC(N4CCNC4=O)CC3)C2=O)cn1 159420230 RDBKBOOWEHDGGM-OAHLLOKOSA-N 346.435 0.405 70 20 ECID CC(C)N1C[C@@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978728703 WWJLSKCUAZTKTI-VXGBXAGGSA-N 329.397 0.989 70 20 ECID C[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CCCO 1071828534 PZXRKLWMFQRTAT-WDEREUQCSA-N 347.412 0.638 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCn2c(nnc2C(F)F)C1 1346850874 ZUGXLHPWMIZXRR-UHFFFAOYSA-N 349.294 0.858 70 20 ECID COCCN1CCC(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1 161349969 YZZFFQPEWFDJDK-UHFFFAOYSA-N 332.404 0.707 70 20 ECID COC(=O)c1ncsc1S(=O)(=O)NC[C@]1(OC)CCOC1 160014595 YLAJBWDKZUPIGD-LLVKDONJSA-N 336.391 0.014 70 20 ECID COc1ccccc1S(=O)(=O)NC[C@H](C)CN1CCOCC1 160382523 MTBQBZLBPBFVPE-ZDUSSCGKSA-N 328.434 0.942 70 20 ECID C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCc1cncn1C 1752901667 RCCGAXNKHWNIJG-SECBINFHSA-N 343.384 0.315 70 20 ECID COCC(=O)N[C@H](C(=O)N1CCC(NCC2CC2)CC1)C(C)C 159807139 XKPYMXOGPDYFIK-INIZCTEOSA-N 325.453 0.764 70 20 ECID CCNC(=O)N1CC[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1 864242953 UXBYAZUAGCDHQX-NSHDSACASA-N 343.380 0.878 70 20 ECID C[C@@H]1CN(CCO)C[C@H]1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1103445781 HKECJXZBLYMKHW-GHMZBOCLSA-N 347.412 0.353 70 20 ECID O=C(NC1[C@H]2CN(CCCF)C[C@H]12)c1cc(S(=O)(=O)F)c[nH]1 961790995 RBKMNYSJWOOIHU-UWVGGRQHSA-N 333.360 0.693 70 20 ECID CC[C@H](F)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999957098 TVBYVSQAIQYVSX-VIFPVBQESA-N 335.332 0.362 70 20 ECID C[C@@H]1CN(CCCO)C[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1092976585 QDCIGXMVQRHMTK-GHMZBOCLSA-N 347.412 0.353 70 20 ECID O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCF)c1cc(S(=O)(=O)F)c[nH]1 1097863523 OBWPFUJYIVPFGM-UISBYWKRSA-N 333.360 0.978 70 20 ECID CN(C)C(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1347358127 OKNLMZPWOCHKMO-SECBINFHSA-N 331.369 0.613 70 20 ECID COCCOCC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 160076066 PZJFYXSMIXRWOS-UHFFFAOYSA-N 332.404 0.870 70 20 ECID CN1CC[C@H](C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1=O 160174064 QBNGVCIITBWUCP-IMJJTQAJSA-N 337.464 0.739 70 20 ECID COc1c(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c(C)nn1C 160355193 KZVJPAGLQYRMFA-UHFFFAOYSA-N 327.344 0.904 70 20 ECID CCOC(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 217286177 ANMSJXFWSSQCDR-GFCCVEGCSA-N 340.424 0.870 70 20 ECID O=C1C(=O)N(CCS(=O)(=O)F)C(=O)N1CCC1=CCCCC1 883953183 KWQHZRHNSVGSKM-UHFFFAOYSA-N 332.353 0.967 70 20 ECID CCC(=O)N1C[C@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 966030297 XZIRBDZBHGXHOH-KWQFWETISA-N 331.369 0.660 70 20 ECID CC1(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1 973357534 JYKLQAMOXJCFAX-KYZUINATSA-N 343.380 0.850 70 20 ECID C[C@@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CCCO 1071828531 PZXRKLWMFQRTAT-GHMZBOCLSA-N 347.412 0.638 70 20 ECID Cn1ccc(CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1166871470 GDJVZTUEVAETIC-UHFFFAOYSA-N 343.384 0.316 70 20 ECID COC(=O)[C@@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C1CC1 1337404852 WFRDMRQTUJHNKQ-ZDUSSCGKSA-N 329.349 0.955 70 20 ECID CN(CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)[C@@H]1CCSC1 160585807 LCDOOCHMRFWZTD-CABCVRRESA-N 333.457 0.863 70 20 ECID CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 160660010 KAMINIUKHATXGG-OWCLPIDISA-N 348.447 0.575 70 20 ECID NCC1(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CCCC1 160717146 CQAQKPSYCLTZHI-UHFFFAOYSA-N 335.408 0.200 70 20 ECID C[C@H](NC(=O)N1CCN(Cc2ccccn2)CC1)[C@@H]1CN(C)CCO1 160836898 FPUSQJAVZRSXCB-RDJZCZTQSA-N 347.463 0.628 70 20 ECID CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCOC3(CCCC3)C2)nn1 159742693 SWEICMBBNGNJSE-LBPRGKRZSA-N 335.408 0.588 70 20 ECID Cc1sc(C(=O)N(C)CC(=O)NC2CC2)cc1CS(C)(=O)=O 159771579 BUAMXPCKVGWLGY-UHFFFAOYSA-N 344.458 0.952 70 20 ECID CC(C)N1CCCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1073769619 LQDZOICEYGRLFK-NSHDSACASA-N 347.412 0.902 70 20 ECID CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1351112867 LSPUKXISIFAOKY-ZDUSSCGKSA-N 342.396 0.979 70 20 ECID C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CN1CCN(C)CC1 1519147385 UWQCXFPNVUXYFW-NSHDSACASA-N 346.428 0.286 70 20 ECID O=C(N[C@@H](CC1CCOCC1)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601410668 AXWBCEDHPIDUJO-NSHDSACASA-N 348.352 0.673 70 20 ECID CC[C@@H](F)CNC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1753927502 LHLXOLPAHLBRHD-RKDXNWHRSA-N 339.364 0.101 70 20 ECID O=C(CN1CCN(c2ccncc2)CC1)NCCCN1CCCC1=O 161316922 GUXAFUXDYBPRAU-UHFFFAOYSA-N 345.447 0.332 70 20 ECID Cc1ccc(CC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cn1 160479716 GPPUETHJMQWAJF-KBPBESRZSA-N 325.434 0.767 70 20 ECID COC(=O)C[C@@H]1C(=O)NCCN1Cc1cnn(-c2ccc(F)cc2)c1 159841307 RIFJEMHHECOYDI-OAHLLOKOSA-N 346.362 0.875 70 20 ECID O=C(NC[C@@H]1CCCS1(=O)=O)NC[C@H](O)Cc1ccccc1 159846826 ITWZHWXFRYUTMT-KGLIPLIRSA-N 326.418 0.466 70 20 ECID CCN(CC)S(=O)(=O)CC(=O)N[C@H]1c2ccccc2C[C@@H]1O 159781639 SPODFHLXUVEDDU-ZFWWWQNUSA-N 326.418 0.433 70 20 ECID CN(C)C(=O)C1(CNC(=O)C(=O)Nc2ccc(F)nc2)CCCC1 159789841 IEGGWKTZXJERTL-UHFFFAOYSA-N 336.367 0.924 70 20 ECID CC(C)(N)CNC(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1 159992344 FBSOHXBHOVXYGP-BJMVGYQFSA-N 337.445 0.994 70 20 ECID COCC#CCN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1113353510 IABVNLVILWUECO-UHFFFAOYSA-N 343.380 0.081 70 20 ECID COCCC1(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 161098058 DRNNQKXXBRCROX-UHFFFAOYSA-N 332.404 0.646 70 20 ECID O=C1C[C@@H](C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CCN1 160169146 LAKXQRAGYWLMKQ-AWEZNQCLSA-N 341.415 0.505 70 20 ECID CCCc1cc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)[nH]n1 160442586 HQKNWKNEFYNCSO-PWSUYJOCSA-N 328.438 0.810 70 20 ECID COC[C@H](O)CCNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 160901362 CVYFTDPBIBTNPI-CYBMUJFWSA-N 335.335 0.499 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C(=O)CC2CC2)C1 955355286 LZVZUFUUVYBFJT-UHFFFAOYSA-N 343.380 0.756 70 20 ECID O=C(NCCNCc1cscn1)c1cc(S(=O)(=O)F)c[nH]1 1133982669 GWPMWGXWTDWWDX-UHFFFAOYSA-N 332.382 0.649 70 20 ECID C#CCN1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C 1071828535 QAWXCCLWTCNXLY-GHMZBOCLSA-N 327.381 0.889 70 20 ECID C[C@@H]1C[C@@H]1CC(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999094457 FHGFDORVQGIPTB-RKDXNWHRSA-N 343.380 0.660 70 20 ECID CCc1cc(NC(=O)N(CCO)CCN2CCOCC2)n(C)n1 160744340 XMTCTNBWJKGYJQ-UHFFFAOYSA-N 325.413 0.141 70 20 ECID COC[C@H](O)CNS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 160905594 QFUDNZPGPKTNPM-LLVKDONJSA-N 343.380 0.605 70 20 ECID CN(CCN(C)c1ncccn1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1105561316 IUSCRQATIUYJRF-UHFFFAOYSA-N 341.368 0.671 70 20 ECID O=C(N[C@H]1CC(=O)N(CC2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1288279025 AOTCCFRXVKCXOS-VIFPVBQESA-N 329.353 0.414 70 20 ECID O=C(CNC(=O)NCc1ccco1)NC[C@@H](O)CN1CCCCC1 160140281 AXEZJKXRXZNWKK-CYBMUJFWSA-N 338.408 0.042 70 20 ECID Cn1cc(S(=O)(=O)N[C@@H](CN)C2CCCCC2)cc1C(N)=O 160157940 NPIFIZCLCYRCDA-LBPRGKRZSA-N 328.438 0.310 70 20 ECID COC(=O)c1[nH]c(C)c(C(=O)NC[C@H](C)N2CCN(C)CC2)c1C 160509623 IBZZOIQKBONHHX-NSHDSACASA-N 336.436 0.784 70 20 ECID C[C@@H](CO)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 160527668 CFJJTOKWNRNMLK-MNOVXSKESA-N 332.447 0.646 70 20 ECID CN(CC(=O)N[C@@H]1CCC[C@H](N)C1)S(=O)(=O)c1cccnc1 160780543 NZELQKRYSPTPID-NWDGAFQWSA-N 326.422 0.088 70 20 ECID CC(=O)N1CC[C@H](NC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)C1 159609458 HAOXTVWJQFEWEP-LSDHHAIUSA-N 332.404 0.832 70 20 ECID CNS(=O)(=O)c1ccc(C(=O)NCC2(N)CCCCC2)cc1 159491049 MVRUPVVSVLHFDU-UHFFFAOYSA-N 325.434 0.986 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCS(=O)(=O)C1 1123829313 LWDQBDZWVQLMHG-MRVPVSSYSA-N 338.382 0.180 70 20 ECID O=C(NCCCN1C(=O)CNC1=O)c1cccc(S(=O)(=O)F)c1 1120944810 ZPMXCHJBCPGNPE-UHFFFAOYSA-N 343.336 0.017 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCC[C@H]1CNCCO 1317191100 ALUCNNVUSADMLT-JTQLQIEISA-N 333.385 0.250 70 20 ECID C[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)[C@H]1CN(C)CCO1 1340086951 DLZAZSFNKNTQAG-GXFFZTMASA-N 330.381 0.794 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 161179400 JFEVZNZXVQZGOI-IAGOWNOFSA-N 348.443 0.981 70 20 ECID CCN1CCN(CCCCNC(=O)NCc2cnn(C)c2C)CC1 160273028 QEKXWCHEMSTTOP-UHFFFAOYSA-N 336.484 0.945 70 20 ECID C[C@@H](CNC(=O)C1(NC(N)=O)CC1)N1CCN(c2ccccc2)CC1 160424437 YCTHZSSEQFDWPM-AWEZNQCLSA-N 345.447 0.514 70 20 ECID COC(=O)c1ccc2[nH]cc(C(=O)CN3CCN(CCO)CC3)c2c1 160469122 WWLHLJCPZYGRSW-UHFFFAOYSA-N 345.399 0.747 70 20 ECID CCc1cc(O)nc(CN2CCCN(CC(=O)N3CCCC3)CC2)n1 160739313 CZVGUDBVAMESNI-UHFFFAOYSA-N 347.463 0.875 70 20 ECID O=C(NC[C@H]1CCCS1(=O)=O)N1CCN(CC(F)F)CC1 159839551 URZBKVJCVARSLN-SNVBAGLBSA-N 325.381 0.156 70 20 ECID Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(=O)n1C 460089068 DYYKKKULVPCHGC-UHFFFAOYSA-N 328.325 0.187 70 20 ECID CC1(C)CN(CCO)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 975046449 GTPHLLOZZXLPCJ-LLVKDONJSA-N 333.385 0.105 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CC[C@H](n2cncn2)C1 1337516269 LPCMXHXARLGVQJ-LBPRGKRZSA-N 338.364 0.952 70 20 ECID NC(=O)c1ccc(CNC(=O)c2cccc(S(=O)(=O)F)c2)o1 1516688796 DHQDOJSGLCHTIA-UHFFFAOYSA-N 326.305 0.967 70 20 ECID CCC[C@](C)(CO)NC(=O)N[C@@H]1CCc2nc(COC)nn2C1 160688860 SPLQDLIXKJMJHU-IAQYHMDHSA-N 325.413 0.590 70 20 ECID CN1CCO[C@@H]2CN(C(=O)C[C@H](NC(N)=O)c3cccs3)C[C@@H]21 159691876 BYFUIUGZTJENKW-SDDRHHMPSA-N 338.433 0.389 70 20 ECID Cc1ccc(CCC(=O)NCC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1 159716039 KQQNNISXIAIRLQ-IRXDYDNUSA-N 345.443 0.585 70 20 ECID CC(=O)N1C[C@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1009514990 AQYBIJLLZOIZSU-QWRGUYRKSA-N 329.353 0.127 70 20 ECID CC(=O)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 959595920 CZAUSZYDPIWQAO-PSASIEDQSA-N 331.369 0.517 70 20 ECID COc1cc(C)nc(NNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1123617121 RSWCXTXCXQYVLD-UHFFFAOYSA-N 329.313 0.537 70 20 ECID O=C(NC1CN(C(=O)C2=CCCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 999952320 MCOBWPXXHMWURZ-UHFFFAOYSA-N 341.364 0.724 70 20 ECID C[C@@H](NCCCO)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1754799234 LHBXHGQMFJFOMY-GHMZBOCLSA-N 347.412 0.496 70 20 ECID Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@@H]1O 161071084 IQCFMALMLXJMES-ZNMIVQPWSA-N 333.367 0.934 70 20 ECID CCN(Cc1ccccn1)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 161092990 FGVIYXQKQVTUEN-UKRRQHHQSA-N 339.461 0.938 70 20 ECID CCCN(C)S(=O)(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 161279486 CKHKWMFEGSAYGK-SNVBAGLBSA-N 338.376 0.881 70 20 ECID CCCNC(=O)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]2OC)CC1 160453308 MHILWIXDQMBWCY-HUUCEWRRSA-N 340.468 0.844 70 20 ECID O=C1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)N1 159802894 IFFUVEFVAPLXNE-NWDGAFQWSA-N 339.754 0.979 70 20 ECID CN(C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@@H]1CCCc2c1cnn2C 159658080 CMCCRWYYQDITSP-ZKYQVNSYSA-N 335.408 0.472 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@H](CCCN3C)C2)co1 159723831 OCLYWTCPWZTYGL-YPMHNXCESA-N 341.433 0.744 70 20 ECID O=C(NCCN1C(=O)CCC1=O)N1CCC[C@@H](N2CCCC2)CC1 159921407 UHJVCOUMNXWXFP-CQSZACIVSA-N 336.436 0.795 70 20 ECID COC(=O)[C@@H]1C[C@@H](O)CN1CC1CCN(C(=O)C(C)(C)C)CC1 159557694 HSXLTXHEBVQWCQ-KGLIPLIRSA-N 326.437 0.879 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)CCCCNC(N)=O 159953997 PNQZAJIYTYBPMM-UHFFFAOYSA-N 328.457 0.642 70 20 ECID CC(C)C(=O)N1CC([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1006902422 MDLMQLOHPWVZNX-SECBINFHSA-N 345.396 0.906 70 20 ECID C[C@H]1C[C@@H]1C(=O)NCC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1000759857 CYFCOAJEVCNYEF-KWQFWETISA-N 343.380 0.517 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H]2[C@@H](CCN2CCO)C1 1036824044 QJXJJZOCWTXCEO-GXFFZTMASA-N 345.396 0.202 70 20 ECID O=C(NC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCC1 948640066 KHVSPBIBVHUREM-JTQLQIEISA-N 343.380 0.804 70 20 ECID CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958412411 DAGXXKXPTYOVDL-BXKDBHETSA-N 333.385 0.105 70 20 ECID COC[C@@H](C)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 950561684 GGJKJKJOKDRKDZ-SNVBAGLBSA-N 333.385 0.466 70 20 ECID C[C@H]1C[C@@H]1C(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355673 XQYAOFKQTBMBHQ-KWQFWETISA-N 343.380 0.612 70 20 ECID C[C@@H](CNCc1cncn1C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1754283947 RNKPOWOEPNKDFO-VIFPVBQESA-N 343.384 0.315 70 20 ECID CN(C)C[C@](C)(O)CNS(=O)(=O)Cc1cccc2cccnc12 161459049 SAYKNQFHIZEVNN-MRXNPFEDSA-N 337.445 0.967 70 20 ECID O=C(CO)N1CCN(C(=O)Nc2cc(F)ccc2-n2cccn2)CC1 160788335 PUVZJNWQFMBJPS-UHFFFAOYSA-N 347.350 0.680 70 20 ECID CCN(C(=O)CNC(=O)CC1CCCC1)[C@H]1CCS(=O)(=O)C1 159449087 ICJVYEJRCGBQKV-ZDUSSCGKSA-N 330.450 0.719 70 20 ECID C#CCCN1CC[C@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046629093 WVWNKIWFPJOEBP-AWEZNQCLSA-N 327.381 0.890 70 20 ECID Cc1cnc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc1 1133975857 BXJAWUKJCCLXIW-UHFFFAOYSA-N 341.368 0.291 70 20 ECID CN(C)C(=O)O[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1517975280 MFVOAMRPWJGZOA-MRVPVSSYSA-N 333.341 0.586 70 20 ECID COc1ccccc1N1CC[C@@H](NC(=O)CCc2nnc[nH]2)C1=O 161366750 WXKWUXUJDVPQOL-LLVKDONJSA-N 329.360 0.668 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCC[C@@]1(C)CO)CC2 160606041 QLXSSBWLJCQOQE-HSMVNMDESA-N 337.424 0.590 70 20 ECID CC(C)Cn1cnc(S(=O)(=O)NC[C@H](O)COCC2CC2)c1 160665389 PCNUYKLOJOGRPL-ZDUSSCGKSA-N 331.438 0.605 70 20 ECID CCCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)F)cc1 838088172 PATLFTANMFNFQK-UHFFFAOYSA-N 346.336 0.737 70 20 ECID CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)F)cc1 838088159 OTZZLNQNLBWPRR-QMMMGPOBSA-N 346.336 0.736 70 20 ECID Cn1nc(Br)c2c(=O)n(CCS(=O)(=O)F)cnc21 883953805 LQEHZEVTMGFGRO-UHFFFAOYSA-N 339.146 0.192 70 20 ECID C[C@H]1CCN(CCCO)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 968333935 CANGDDMPRDTZNM-GXFFZTMASA-N 347.412 0.496 70 20 ECID C[C@H]1CC[C@H](CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1133976986 WUMLKTDGZSADOH-VHSXEESVSA-N 333.385 0.560 70 20 ECID C[C@H](NC(=O)CCc1ccc(S(=O)(=O)F)cc1)C(=O)NCCF 1337577590 KTWJCVMKJBNESC-JTQLQIEISA-N 348.371 0.868 70 20 ECID CCn1cc(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)nn1 1339086957 WACQDBFDQHKEPU-UHFFFAOYSA-N 326.353 0.815 70 20 ECID O=C(O)c1ccc(NNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc1 1608905101 ZBCUUZXFPGEVMV-UHFFFAOYSA-N 328.281 0.523 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 161028167 KOFFFKKWHPUTPJ-MFKMUULPSA-N 328.796 0.972 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H](c1ccccc1)N1CCN(C)CC1 161096747 HLCILZDBJIZNDV-IRXDYDNUSA-N 335.448 0.489 70 20 ECID CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@H]2CCN(C)C2)cc1 161308911 LUWDYFBBDWDVAJ-AWEZNQCLSA-N 339.461 0.807 70 20 ECID CC(C)N1C(=O)C[C@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1=O 160569142 YBOUKERBOKOORK-NSHDSACASA-N 330.344 0.132 70 20 ECID CN(CCCn1ccnc1)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 159654932 YCGKXQZTGSBRMM-GFCCVEGCSA-N 330.454 0.696 70 20 ECID Cc1ccc(NC(=O)C2(n3cnnn3)CC2)cc1S(=O)(=O)F 857673597 FAVBGFOLFBYZKZ-UHFFFAOYSA-N 325.325 0.768 70 20 ECID Cc1nc(CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)co1 1166871937 YEMHNUDGPSFHBG-UHFFFAOYSA-N 344.368 0.879 70 20 ECID CCCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1196227447 BZLHTJYGBSBZBO-CHWSQXEVSA-N 347.412 0.638 70 20 ECID CN(CCCNC[C@H]1CCOC1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1754396506 QKEHJIAJHNDXAS-LLVKDONJSA-N 347.412 0.761 70 20 ECID Cc1nc(CCNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)sc1C 160091881 JWEAHPGPSKTURI-GFCCVEGCSA-N 345.490 0.538 70 20 ECID Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCC(C)(C)N 160100224 ZBIAFACUEJJBAB-UHFFFAOYSA-N 336.436 0.457 70 20 ECID CC[C@](C)(O)CNS(=O)(=O)c1ccc(CCNC(C)=O)cc1 160310876 LXOMEUYXZIWROI-HNNXBMFYSA-N 328.434 0.805 70 20 ECID CC#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1029478580 SNIAEEISQBDSRI-RYUDHWBXSA-N 339.392 0.985 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(n2ccnn2)CC1 1349235342 SQVWDERCPZJQRM-UHFFFAOYSA-N 327.341 0.742 70 20 ECID COC(=O)Cn1cc(CNC(=O)N2CCc3cccc(F)c3C2)nn1 160180973 WKNOKGYMVXLHEB-UHFFFAOYSA-N 347.350 0.858 70 20 ECID CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)N 159927842 NLLOBILOZAYWIK-ZDUSSCGKSA-N 345.440 0.982 70 20 ECID CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 159946301 RFSYUUJGLADWGV-ZIAGYGMSSA-N 329.360 0.890 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1CCS(=O)(=O)C1 159979678 CCWIVEBSEIAVKI-ZDUSSCGKSA-N 332.466 0.238 70 20 ECID CN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@H]1CCC[C@@H]1O 159597234 QIIFTRKTAOSTEP-CABCVRRESA-N 349.431 0.657 70 20 ECID COC[C@@H](O)CNS(=O)(=O)c1ccc(F)c(Br)c1 160923244 SMPNYFXASZECDZ-ZETCQYMHSA-N 342.186 0.874 70 20 ECID COCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460094999 NYIFGUGWBWRWTQ-UHFFFAOYSA-N 336.366 0.505 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCN(C[C@@H](C)O)C1 1033954310 SBIMAMGYPZAZIG-GHMZBOCLSA-N 347.412 0.590 70 20 ECID Cc1nocc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133976858 VDXMTEOZJDJWLB-UHFFFAOYSA-N 330.341 0.489 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@@H]2CN(CCF)C[C@@H]21 1083196553 WYNWCTKHMYDMRZ-NWDGAFQWSA-N 349.359 0.168 70 20 ECID C[C@@H](O)CNCCCCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1179617367 QCQAWZVJDIFULY-LLVKDONJSA-N 349.428 0.934 70 20 ECID O=C(Cc1ccc(-n2cnnn2)cc1)NC[C@@H](O)CN1CCCCC1 160542665 KNUZYEYQMXVBJW-MRXNPFEDSA-N 344.419 0.168 70 20 ECID O=S(=O)(Cc1ccon1)N1CCN(CCn2ccnc2)CC1 159853876 TWLNHNQJRZWKSB-UHFFFAOYSA-N 325.394 0.019 70 20 ECID O=C(NC1CN(CC[C@@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030972073 KKJIKNWKPLZBCH-SNVBAGLBSA-N 345.396 0.514 70 20 ECID C[C@H]1CC[C@@H](CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1133976985 WUMLKTDGZSADOH-UWVGGRQHSA-N 333.385 0.560 70 20 ECID COCC(=O)N[C@@H](C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1756270007 WDFRXCPYSZWMLJ-VIFPVBQESA-N 349.384 0.334 70 20 ECID C[C@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCc1ccon1 1753014880 SHCVCDZQHBYFLZ-SECBINFHSA-N 344.368 0.959 70 20 ECID COC[C@H](O)CCNC(=O)CCN1CCN(c2ccccc2)CC1 161062894 JCNFOCBXAWGJBM-QGZVFWFLSA-N 335.448 0.712 70 20 ECID CS(=O)(=O)c1nc(C(=O)N[C@@H]2CCC[C@@H](N)C2)c2ccccn12 161068374 QHJLQUKLMBMNPQ-GHMZBOCLSA-N 336.417 0.738 70 20 ECID Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCC(=O)N(C)C)c1 160055261 HBFNTIZDUYGLAW-UHFFFAOYSA-N 343.387 0.632 70 20 ECID O=C(NCCn1cccc1)C(=O)Nc1ccc(-n2cncn2)c(F)c1 160153418 LTPXXZDFNLPYJC-UHFFFAOYSA-N 342.334 0.963 70 20 ECID CN(CC(=O)NCC1CCN(CCO)CC1)C(=O)c1cccs1 160690610 FHBOMPUDJZDOSW-UHFFFAOYSA-N 339.461 0.641 70 20 ECID CCc1nc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nn1C 460089743 DWEZGILSEWYYIM-UHFFFAOYSA-N 348.381 0.837 70 20 ECID CC(=O)N1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 975230316 QFKSIJWSVQRITO-BXKDBHETSA-N 329.353 0.366 70 20 ECID CC(C)CNC(=O)CNC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337021075 AYDBIMOEVJFZJM-UHFFFAOYSA-N 330.381 0.776 70 20 ECID C[C@H](CNCc1ccon1)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1753631633 XCMQBPJOVWTBDP-SECBINFHSA-N 344.368 0.817 70 20 ECID CCN(C)S(=O)(=O)NCc1ccc(CN2CCC(O)CC2)cc1 161134467 YDGPWIJZKGJZAI-UHFFFAOYSA-N 341.477 0.929 70 20 ECID CN1CC[C@H](C(=O)N(C)CC(C)(C)CN2CCOCC2)CC1=O 160109864 ALMZAIQABGURHN-AWEZNQCLSA-N 325.453 0.672 70 20 ECID COCCCn1ccc(NC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)n1 159902106 PGAQFSFHVYSTLA-QWHCGFSZSA-N 325.413 0.760 70 20 ECID Cc1nc(S(=O)(=O)NC[C@@H](O)COc2ccc(F)cc2)cn1C 159983019 XEKVSRLZRSTDDS-GFCCVEGCSA-N 343.380 0.586 70 20 ECID CCC(=O)NC[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1061163878 NFSOSJAJUKBOLH-VIFPVBQESA-N 347.368 0.040 70 20 ECID CC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C 1004290305 KUQZJVJFIANVCS-PRHODGIISA-N 331.369 0.660 70 20 ECID CCN1CCO[C@]2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 972556249 FBDTXOZHRFYPQB-CQSZACIVSA-N 345.396 0.610 70 20 ECID CC[C@@H]1COCCN1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1350289915 OJMWACGZKPDRLY-SNVBAGLBSA-N 333.385 0.514 70 20 ECID O=C(Cn1ccc(C(=O)O)n1)Nc1cccc(S(=O)(=O)F)c1 1601384692 FMXUIKLJMCMIBN-UHFFFAOYSA-N 327.293 0.878 70 20 ECID CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@H](Cn2ccnn2)C1 160012013 YFSBHRZKKOPBDX-LBPRGKRZSA-N 328.438 0.730 70 20 ECID CC[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1c(C)noc1C 160349556 YMQJHYZLGVILJX-NSHDSACASA-N 334.380 0.852 70 20 ECID C[C@@H](NC(=O)CN1CCO[C@]2(CCc3ccccc32)C1)C(=O)N(C)C 159528925 PZFQCUKXPYRXCZ-AUUYWEPGSA-N 345.443 0.753 70 20 ECID C[C@@H]1[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1CCO 993824851 MCGOVDABUQAGKN-MWLCHTKSSA-N 333.385 0.248 70 20 ECID CC(C)NC(=O)OC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346795411 DVRHZZIICYWTNQ-UHFFFAOYSA-N 333.341 0.632 70 20 ECID CN(C)CCOC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1520864911 DVLLNEVHWYMZSC-UHFFFAOYSA-N 347.412 0.856 70 20 ECID O=C(O)[C@@H]1COCCN1C(=O)CCc1ccc(S(=O)(=O)F)cc1 1594957991 ZQCYBPUYNIYRCO-LBPRGKRZSA-N 345.348 0.589 70 20 ECID CCCNC(=O)CN(C)C(=O)CN1CCN(Cc2ccncc2)CC1 161208646 NDQYRBWPOGPIDS-UHFFFAOYSA-N 347.463 0.184 70 20 ECID C[C@@]1(O)CCCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)C1 160610930 RWPWBNZKMVRJEZ-MRXNPFEDSA-N 337.424 0.328 70 20 ECID CCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1014070684 FCWCNXSNHYCMJS-RKDXNWHRSA-N 331.369 0.802 70 20 ECID CC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)N1CCOCC1 1120944275 IWQZOUZOGIJFRV-JTQLQIEISA-N 347.368 0.040 70 20 ECID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(CCCO)C1 970437884 UHCKZYKKEIUGNQ-SECBINFHSA-N 333.385 0.105 70 20 ECID COC(=O)C[C@@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOC1 1337361471 SBWNFPUQBZNEGV-LBPRGKRZSA-N 334.325 0.125 70 20 ECID COC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1521437769 KXPLGTFDRGAVBL-UHFFFAOYSA-N 333.341 0.634 70 20 ECID Cn1cc(C(=O)O)c(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)n1 1600932015 GJNBNMBUEXOLMF-UHFFFAOYSA-N 341.320 0.958 70 20 ECID C[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCc1ccon1 1753014881 SHCVCDZQHBYFLZ-VIFPVBQESA-N 344.368 0.959 70 20 ECID COC[C@@H](O)CCNC(=O)CCN1CCN(c2ccccc2)CC1 161063018 JCNFOCBXAWGJBM-KRWDZBQOSA-N 335.448 0.712 70 20 ECID Cc1c(NC(=O)C(=O)NCCN(C)C)cnn1-c1ccccc1F 161131089 FZRIVQRRRXMCFH-UHFFFAOYSA-N 333.367 0.936 70 20 ECID COc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1F 161394696 OVMMEEIEBBVBQY-UHFFFAOYSA-N 346.424 0.817 70 20 ECID CCS(=O)(=O)NCc1ccc(C(=O)NCCn2ccnc2)cc1 160451496 QOWRDEICNMYRSV-UHFFFAOYSA-N 336.417 0.752 70 20 ECID C[C@H](NC(=O)CN(C)C[C@@H]1CCC[C@@H]1O)C(=O)N1CCCCC1 159509956 YMFGUWGAEFIGNF-KKUMJFAQSA-N 325.453 0.596 70 20 ECID Cn1cnn(CCC(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)c1=O 857673034 RYCVVXHTFZNWHJ-UHFFFAOYSA-N 346.315 0.408 70 20 ECID COC[C@@H](C)NC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1100684872 OWJSEGZDAWGKED-KPPDAEKUSA-N 347.412 0.806 70 20 ECID O=C(NC1CC2(CC(NCCO)C2)C1)c1cc(S(=O)(=O)F)c[nH]1 965095599 YDZMKRHIYISZAV-UHFFFAOYSA-N 345.396 0.296 70 20 ECID O=C1CN(C(=O)c2cc(S(=O)(=O)F)ccc2Cl)CCCN1 1337633997 SFIZYCLBYBITML-UHFFFAOYSA-N 334.756 0.960 70 20 ECID CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1C[C@@]1(C)CC 159483283 RPCNGGODOHDWGK-LALPHHSUSA-N 330.450 0.574 70 20 ECID C[C@H](CN1CCOCC1)NC(=O)Nc1ccnn1C[C@H]1CCOC1 159380471 YUALAGKRCJAHCL-ZIAGYGMSSA-N 337.424 0.762 70 20 ECID CC(=O)N1CC[C@@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1005282164 OUYWRTOOWZWABZ-PELKAZGASA-N 331.369 0.660 70 20 ECID COCCN1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1023590990 LQJAUTGPOZMMAV-LLVKDONJSA-N 347.412 0.761 70 20 ECID O=C1CO[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)C[C@@H]2N1 864244479 YBBZCXOYSQEKJY-RYUDHWBXSA-N 342.348 0.074 70 20 ECID NC(=O)c1ccc(CNC(=O)c2cccc(S(=O)(=O)F)c2)cn1 888097945 UXYUWZLZHRVLQM-UHFFFAOYSA-N 337.332 0.769 70 20 ECID O=C(NC[C@@H]1CCN1C(=O)CC1CC1)c1cc(S(=O)(=O)F)c[nH]1 952163067 ORYOCDVIHDPWAO-JTQLQIEISA-N 343.380 0.804 70 20 ECID O=C(NCC1[C@@H]2CN(CCF)C[C@@H]12)c1cc(S(=O)(=O)F)c[nH]1 978728195 UWLKLPKAMUKWIF-QWRGUYRKSA-N 333.360 0.550 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]1CN1CCOCC1 1263716716 LBTJDSLQDIZYGF-LLVKDONJSA-N 345.396 0.610 70 20 ECID CN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc(S(=O)(=O)F)c1 1262732956 ZZOBYPSIQSEWPM-LLVKDONJSA-N 346.405 0.948 70 20 ECID NC(=O)c1ccc(NC(=O)C(=O)NCCn2cccc2)cc1Cl 160147390 ZZVZTJVQWOXEDN-UHFFFAOYSA-N 334.763 0.995 70 20 ECID Cc1cccc(Cn2[nH]cc/c2=N/C(=O)CN2CCNC(=O)[C@@H]2C)c1 160354551 XPMCIVYSORJGNM-FJGOLAJPSA-N 341.415 0.421 70 20 ECID CC[C@H](NC(=O)CCNC(N)=O)[C@H]1CN(Cc2ccccc2)CCO1 159648943 BVBMXFIIQTZDPE-JKSUJKDBSA-N 348.447 0.841 70 20 ECID CN(CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)CC(C)(CO)CO 159545204 JCFPPLZLRBJDOT-INIZCTEOSA-N 349.475 0.552 70 20 ECID C[C@H](O)CCCN1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1754581248 DNBPFPBSEUKBRV-JTQLQIEISA-N 347.412 0.590 70 20 ECID Cc1ccc(S(=O)(=O)NCCC(=O)NCC(C)(C)N)cc1C 160107129 NEAICZWWWUKKHR-UHFFFAOYSA-N 327.450 0.825 70 20 ECID CN1CCN(c2cc(CNC(=O)c3cccc(=O)n3C)ccn2)CC1 159779811 PGKVWCXFDWVWLW-UHFFFAOYSA-N 341.415 0.462 70 20 ECID C=CCN1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035509458 DXSZJSQSGPDBOG-JTQLQIEISA-N 331.369 0.290 70 20 ECID CCc1nocc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133976873 VQFJVKHTGOSKRU-UHFFFAOYSA-N 344.368 0.743 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(n2cnnc2O)CC1 1349610820 GDGWJRJROPTNNS-UHFFFAOYSA-N 343.340 0.447 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CC(C)(C)O 1346320578 QDRPZSVBFOUJFA-SNVBAGLBSA-N 347.412 0.590 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H](N(C)C)C1)CC2 160724568 XEJKNRXRGSUALC-CHWSQXEVSA-N 336.440 0.475 70 20 ECID C[C@@H](CC(=O)c1cccs1)NC(=O)Cn1ccc(=O)n(C)c1=O 160886074 UJTVTWUNXJNVKE-JTQLQIEISA-N 335.385 0.386 70 20 ECID CC(C)CN1C[C@@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958413698 SQHNQFJLOVDTNP-ZWNOBZJWSA-N 347.412 0.351 70 20 ECID CC(=O)N[C@@H]1CC12CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 962440066 BZCLULOLRXFLRI-GFCCVEGCSA-N 343.380 0.804 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(CNCCO)CC1 1206308199 ZVCIVSOMTPDUCT-UHFFFAOYSA-N 333.385 0.107 70 20 ECID CC(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC[C@@H](C)O 1753840509 GVQZZRXRASYPJV-BXKDBHETSA-N 335.401 0.398 70 20 ECID CCN1CCN(CC(=O)N[C@@H]2CCCc3sccc32)C(=O)C1=O 159964082 YTSHQBBZNYTEIL-GFCCVEGCSA-N 335.429 0.932 70 20 ECID C#CCN1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1024652610 QSUHVNCHHYKFSA-NSHDSACASA-N 327.381 0.890 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)NC[C@H]1CCCS1(=O)=O 1262790650 WSJUPNLZGFYOEJ-GFCCVEGCSA-N 349.405 0.581 70 20 ECID O=C(CN1CCOCC1=O)Nc1ccc(F)c(CS(=O)(=O)F)c1 876318560 FLIWDDODUVLJOD-UHFFFAOYSA-N 348.327 0.422 70 20 ECID C[C@@H](O)CNCC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1206307111 BNIZPAPDPZDKJV-SNVBAGLBSA-N 347.412 0.496 70 20 ECID CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 976102906 IRNWFVLOHATUBJ-GHMZBOCLSA-N 331.369 0.850 70 20 ECID C[C@H](O)CN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1074890750 BIJFQGAWIJOVPL-QXEWZRGKSA-N 333.385 0.246 70 20 ECID C[C@H](O)CN(C)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 985652117 AJHIOOXFPDYXBP-JTQLQIEISA-N 347.412 0.590 70 20 ECID Cc1cc(NC(=O)C(=O)NCCn2cccc2)ccc1-n1cnnn1 160120193 ORMNJQKHCHCXIO-UHFFFAOYSA-N 339.359 0.527 70 20 ECID CCN1CCO[C@H](C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)C1 160608505 JANXBIOVZZLAOX-BZSNNMDCSA-N 347.459 0.459 70 20 ECID COCC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 1011393004 XCGDDXUGSUPGME-WCBMZHEXSA-N 347.368 0.039 70 20 ECID COCCN1[C@H]2CC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1029478657 VPHLZMWARRDYSD-QWRGUYRKSA-N 345.396 0.608 70 20 ECID C[C@H](O)CN1CCCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1034404410 RJGUJAOVKWVISO-WDEREUQCSA-N 347.412 0.638 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOC2(CN(CCF)C2)C1 1053433873 OBNPZFCEJGWCLF-UHFFFAOYSA-N 349.359 0.169 70 20 ECID CC#CCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](OC)C1 1082143610 AMIQWQDLBQNXMK-CHWSQXEVSA-N 343.380 0.125 70 20 ECID CC(C)CN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090576112 JODVEPANCCITLK-DGCLKSJQSA-N 347.412 0.494 70 20 ECID O=C(O)[C@@H]1CSCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1608649964 UZFCFGKYALEPBI-NSHDSACASA-N 347.389 0.916 70 20 ECID Cc1c(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)cnn1-c1ccccc1 161330678 OVUDIUIFSOMVMR-CYBMUJFWSA-N 341.371 0.466 70 20 ECID O=C(CCN1CCCC1=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 160322208 NHMDQQCJADICMB-HOTGVXAUSA-N 337.464 0.883 70 20 ECID Cn1cnc2cc(C(=O)NCCCCN3CCC[C@@H]3CO)cnc21 160902110 ZYTFHQZSZSSNFZ-CQSZACIVSA-N 331.420 0.935 70 20 ECID CN(CC(=O)NCCCN1CCCCCC1=O)C[C@H]1CCC[C@@H]1O 159721363 WWUZSNCLMVXIEW-CVEARBPZSA-N 339.480 0.988 70 20 ECID O=C(NC[C@H]1C[C@@H](NC(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 979313064 BRJKNGDINAUMAH-WAAGHKOSSA-N 343.380 0.708 70 20 ECID CS(=O)(=O)c1cccc(C(=O)NCC2CCN(CCO)CC2)c1 160553538 GXOAQAWKNHHDCY-UHFFFAOYSA-N 340.445 0.524 70 20 ECID CC(C)[C@H](CCO)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 160624648 SBUJZBYPDSLFCJ-NSHDSACASA-N 339.417 0.875 70 20 ECID CCC(=O)N1CC[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 160752205 OVQKRQFWEDYWGX-INIZCTEOSA-N 345.447 0.920 70 20 ECID C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCO[C@H](C(N)=O)C1 159978012 UTQWWWSCLLIRDM-KBMXLJTQSA-N 346.431 0.403 70 20 ECID CCc1nc(CN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n[nH]1 159583164 HWYJDLMPNXKMGG-NEPJUHHUSA-N 328.438 0.535 70 20 ECID C=CCCN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1083786395 XQKPWQXQCJNUDY-NEPJUHHUSA-N 331.369 0.024 70 20 ECID C=CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090576629 NEVNXQDVTHBLAX-CMPLNLGQSA-N 331.369 0.024 70 20 ECID CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1336961912 QAZSKMLPGRMUKZ-GZMMTYOYSA-N 347.368 0.039 70 20 ECID C[C@@H](CNC(=O)N[C@@H](C)C(=O)N1CCCCC1)CN1CCOCC1 160358593 CXLJZZMHDZPGLQ-GJZGRUSLSA-N 340.468 0.655 70 20 ECID C[C@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)N1C(=O)CCC1=O 460096668 YLAZSPJYKWDBNT-MRVPVSSYSA-N 328.321 0.821 70 20 ECID C[C@@H](O)CCCN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1113354074 XIRGNUMDLXXWJW-LLVKDONJSA-N 347.412 0.592 70 20 ECID C[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CCO 1071828257 LVRWJSMEHINODP-VHSXEESVSA-N 333.385 0.248 70 20 ECID C#CCN[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 981339334 FOSIOVCFBLBBLS-MNOVXSKESA-N 327.381 0.937 70 20 ECID C[C@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[C@H]1CN(C)CCO1 160049492 DVDRGOAMSTUGOU-AEGPPILISA-N 337.424 0.903 70 20 ECID COC(=O)C[C@H]1C(=O)NCCN1Cc1cnn(-c2ccc(F)cc2)c1 159841427 RIFJEMHHECOYDI-HNNXBMFYSA-N 346.362 0.875 70 20 ECID CN(CCCn1ccnc1)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 159655049 YCGKXQZTGSBRMM-LBPRGKRZSA-N 330.454 0.696 70 20 ECID COCCCn1ccc(NC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)n1 159902006 PGAQFSFHVYSTLA-OLZOCXBDSA-N 325.413 0.760 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCCN(CCO)C1 1025534093 JVQMGDMRARLGTN-QWRGUYRKSA-N 347.412 0.496 70 20 ECID C[C@H]1CC[C@@H](CN2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)O1 1030972139 NPLMBNVEKDPLAB-ONGXEEELSA-N 345.396 0.654 70 20 ECID CCO[C@H](CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1 1133981155 KIZXHCMYVGTOMU-CYBMUJFWSA-N 347.412 0.807 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCc2c(O)ncnc2C1 1348405786 OHGHGHGVPMLIPA-UHFFFAOYSA-N 326.309 0.367 70 20 ECID CCN(CC)C(=O)C[C@H](C)NC1CCN(CC(=O)N(C)C)CC1 160426074 GEXUFKNGQFYCEZ-AWEZNQCLSA-N 326.485 0.776 70 20 ECID CCN(CC)c1ncc(CN2CCNC(=O)[C@@H]2CC(=O)OC)s1 159786985 SYPCAGWJQZLWGE-LBPRGKRZSA-N 340.449 0.853 70 20 ECID C[C@H]1CN(CC#N)CC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 942859960 QBWCJCGDGIQBEQ-GXSJLCMTSA-N 328.369 0.637 70 20 ECID N#Cc1ccc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nn1 1094126572 OCKPTBMWTHXNOV-UHFFFAOYSA-N 338.324 0.176 70 20 ECID CNC(=O)CCCN(C)C(=O)Cc1ccc(S(=O)(=O)F)cc1 1338887792 HMRHCVDEEUYIGS-UHFFFAOYSA-N 330.381 0.872 70 20 ECID CCC[C@H](C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)N(C)C 159482998 RAJJNOFESBACIJ-CQSZACIVSA-N 345.451 0.742 70 20 ECID CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccnc(-n3cccn3)c2)C1 159709597 OKRPGRHMHMIWNZ-LBPRGKRZSA-N 349.416 0.279 70 20 ECID CC(=O)N1CC[C@@H](CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1058972916 CPRGGNJIAZFAMB-SNVBAGLBSA-N 331.369 0.661 70 20 ECID Cn1ncc(CCCNC(=O)c2cccc(S(=O)(=O)F)c2)n1 1338069716 VKYRFTVLCRJHSD-UHFFFAOYSA-N 326.353 0.836 70 20 ECID CN1CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C(C)(C)C1=O 1354829345 XWTRKAREVCPLHM-UHFFFAOYSA-N 342.392 0.967 70 20 ECID O=C(N[C@@H](C[C@H]1CCCO1)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601410390 ZBMBQYAJPHGVOY-XCBNKYQSSA-N 334.325 0.425 70 20 ECID CCN(CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1cnn(C)c1 161132452 JWFNJXBTTTZVFI-AWEZNQCLSA-N 335.452 0.759 70 20 ECID CCC(=O)NC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1053463366 YWTZINAWBYWEOA-ZJUUUORDSA-N 345.396 0.907 70 20 ECID CCC(=O)NC1[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]12 1012626267 KPGPVTKLUZVVJH-IUCAKERBSA-N 329.353 0.270 70 20 ECID CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1NCCO 1037931613 FARPZPXLSLESSE-CMPLNLGQSA-N 347.412 0.496 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@]2(CCN(CCO)C2)C1 1041693075 PWLFFMWAIGEWMT-CQSZACIVSA-N 345.396 0.203 70 20 ECID CC[C@H](CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)OC 1166871414 DGSJLOUJKUEAAE-SNVBAGLBSA-N 335.401 0.807 70 20 ECID C[C@H](CCCCNCCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1175318257 XMAWTNQJNGIUGB-SNVBAGLBSA-N 335.401 0.543 70 20 ECID C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1338250592 MBMCHBNJEBAMDY-HTQZYQBOSA-N 340.398 0.567 70 20 ECID C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1338069745 WLCWVLDUWVDBJY-QWRGUYRKSA-N 345.396 0.608 70 20 ECID O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1346321468 WUYJRBRXMBWHBI-QMMMGPOBSA-N 329.353 0.414 70 20 ECID CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1351112853 LSPUKXISIFAOKY-CYBMUJFWSA-N 342.396 0.979 70 20 ECID CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC(C)(O)CC1 161257242 XHLGISIUCOKEGK-LLVKDONJSA-N 338.495 0.421 70 20 ECID COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(=O)n(C)c2)C1=O 161328156 SCZOQLASWCIXBA-CYBMUJFWSA-N 341.367 0.929 70 20 ECID Cc1nn(C)c2ncc(C(=O)NC[C@@H](O)CN3CCCCC3)cc12 160451622 HALXNLHIAHFHFI-CQSZACIVSA-N 331.420 0.853 70 20 ECID CCN(C(=O)NCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 217263744 SGQDAUZHLMGBEW-NSHDSACASA-N 349.453 0.730 70 20 ECID C[C@H]1C[C@H](NCC#N)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1044746368 HKTBFEFMFZFZAU-VHSXEESVSA-N 328.369 0.779 70 20 ECID O=C(NC[C@@H]1CN(CC2CC2)C[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1 958413810 USRNCNCFRCTZSO-ZWNOBZJWSA-N 345.396 0.105 70 20 ECID C[C@@H](CCNC(=O)[C@@H](C)C#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1078137535 BVDJGIARUXDJMR-IUCAKERBSA-N 344.368 0.457 70 20 ECID C=CCS(=O)(=O)CCNC(=O)Cc1ccc(S(=O)(=O)F)cc1 1262786755 WSPFEHKLGMJTPK-UHFFFAOYSA-N 349.405 0.604 70 20 ECID CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1351946550 MDNGMCYRMUOSKF-SECBINFHSA-N 346.384 0.549 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(CC(F)(F)F)CC1 1520702628 DCJANBNBJYXEQD-UHFFFAOYSA-N 343.302 0.993 70 20 ECID CN1CCC2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C1=O 1521438578 SEVWPSJQRCYYTC-UHFFFAOYSA-N 343.380 0.757 70 20 ECID CC(C)C[C@H](CO)NC(=O)CSc1nnnn1CC(F)(F)F 161243114 KYBVJIDNOARION-MRVPVSSYSA-N 341.359 0.851 70 20 ECID CC1(C)CN(C(=O)CCCNC(=O)c2ccco2)CCS1(=O)=O 160020439 DTQLPQJUVDUYSP-UHFFFAOYSA-N 342.417 0.825 70 20 ECID C[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 160476388 OQKICTJORRWLQO-SECBINFHSA-N 334.825 0.949 70 20 ECID CCCCCN(CCO)C(=O)N[C@H]1CCc2nc(COC)nn2C1 160627479 DEHXJSPSPBRIOL-ZDUSSCGKSA-N 339.440 0.933 70 20 ECID O=C(CNC(=O)c1ccco1)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 160753938 FZDUJXCJYMDNQI-CABCVRRESA-N 349.431 0.894 70 20 ECID O=C(NC[C@@H]1CCCS1(=O)=O)N1CCO[C@H](c2ccco2)C1 159648473 GLXKKHQDTLRZPY-AAEUAGOBSA-N 328.390 0.940 70 20 ECID NS(=O)(=O)c1ccc(CCNC(=O)NCC2CCOCC2)cc1 218713917 PXHCFYIWZNGOQS-UHFFFAOYSA-N 341.433 0.602 70 20 ECID CS(=O)(=O)CCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1 876317795 HQBJXPHXOMMBCB-UHFFFAOYSA-N 341.357 0.998 70 20 ECID O=C(N[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CC1 952050258 FGDYZPPLNXGIRW-SNVBAGLBSA-N 343.380 0.804 70 20 ECID COC[C@H](O)CCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O 161270879 SYHQYIRBIHOIMY-LLVKDONJSA-N 339.417 0.588 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 161368260 LALLPPSILYAABO-CVEARBPZSA-N 334.416 0.857 70 20 ECID COc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1Cl 161454343 JVSZXRFNNJLLGI-CYBMUJFWSA-N 336.841 0.940 70 20 ECID Cc1cccc2c(=O)n(CCC(=O)N3CCCC[C@@H]3C(N)=O)cnc12 159639910 BGTHCFTZEIRKBJ-CQSZACIVSA-N 342.399 0.961 70 20 ECID CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 159781483 SPODFHLXUVEDDU-DZGCQCFKSA-N 326.418 0.433 70 20 ECID CCS(=O)(=O)N1CCC(C(=O)NC[C@@](C)(O)CSC)CC1 217677562 XBZNLGWHEACTKM-CYBMUJFWSA-N 338.495 0.278 70 20 ECID CC[C@@H](CN1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)OC 1038710947 RTQDEDWRGADIJO-QWRGUYRKSA-N 347.412 0.902 70 20 ECID COC[C@H](C)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1031983818 NBZQRWWZJNKIRO-VIFPVBQESA-N 333.385 0.369 70 20 ECID O=C(NC[C@H](CO)Cc1cccnc1)c1cc(S(=O)(=O)F)c[nH]1 1123728451 XHQXWERRZWYCDD-LLVKDONJSA-N 341.364 0.649 70 20 ECID C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1047529985 XSUSGDYOAVQJEX-STQMWFEESA-N 345.396 0.366 70 20 ECID O=C1C[C@@H](C(=O)NCc2ccc(Br)cc2)NC(=O)N1 216845919 NLBKTYVIMOHOBB-VIFPVBQESA-N 326.150 0.663 70 20 ECID CCOC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1349546253 HSYRVTVNCXKKMW-MRVPVSSYSA-N 333.341 0.634 70 20 ECID COC[C@H](O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccc(C)cc2)C1 161368614 LALLPPSILYAABO-JKSUJKDBSA-N 334.416 0.857 70 20 ECID Cc1cccc([C@@H](CNC(=O)C2(NC(N)=O)CC2)N2CCOCC2)c1 160360890 HSJXHHHRSONQLJ-OAHLLOKOSA-N 346.431 0.685 70 20 ECID C[C@@H](CN1CCOCC1)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 160595644 ORYHZGOBIUOJHV-STQMWFEESA-N 336.440 0.695 70 20 ECID CCO[C@H]1CCCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 160632403 GMTNIBWRCWYWDS-OLZOCXBDSA-N 337.424 0.950 70 20 ECID Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)c1 159689669 XUIRDRNLEHPCCM-CVEARBPZSA-N 331.416 0.575 70 20 ECID CN(C)c1ccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c(F)c1 159396444 VTGIOOMMLKGUGH-QGHHPUGFSA-N 348.378 1.000 70 20 ECID C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1262787723 HEDALJLITCMPIQ-LLVKDONJSA-N 346.428 0.429 70 20 ECID CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C 161392239 ZBWBESMRYKYSLR-IGQOVBAYSA-N 333.498 0.795 70 20 ECID CCCC1(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 160713154 GVBAGNXEHACJGM-OLZOCXBDSA-N 342.461 0.719 70 20 ECID C[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)[C@H]1CN(C)CCO1 889637586 ZUACTUUYUZHLIG-ZWNOBZJWSA-N 330.381 0.794 70 20 ECID N#CCNC1CC2(C1)CC(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 965091823 GZPKQSGKBCGDDE-UHFFFAOYSA-N 340.380 0.827 70 20 ECID COCCN1C[C@H]2[C@H](CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978717927 JVGCAUAQPXZSGL-CNDDSTCGSA-N 345.396 0.227 70 20 ECID Cc1ccccc1CC(=O)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1337520103 QDDRLYGAHMVEAT-UHFFFAOYSA-N 339.348 0.985 70 20 ECID CNC(=O)[C@]1(C)CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1 1354954232 SEZPFKFJIDMVQG-OAHLLOKOSA-N 342.392 0.872 70 20 ECID CC[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC#CCOC 1753486517 RVYQMHYHAVBPEF-NSHDSACASA-N 345.396 0.421 70 20 ECID CCc1c(C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)cnn1CC(C)C 161265530 LLMXYOWCVBCMIR-GFCCVEGCSA-N 342.465 0.865 70 20 ECID COCCN1C[C@H](C(=O)Nc2nnc(-c3ccc(C)o3)[nH]2)CC1=O 160283321 PAMZDVZDCWHJIW-SNVBAGLBSA-N 333.348 0.807 70 20 ECID CCCN(C(=O)CN1CCNCC1=O)[C@H]1C[C@@H](OCC)C1(C)C 160632048 WLKBNTFSVRIIFL-UONOGXRCSA-N 325.453 0.860 70 20 ECID CCN1CCN(CC(=O)N[C@H]2CCCc3sccc32)C(=O)C1=O 159964208 YTSHQBBZNYTEIL-LBPRGKRZSA-N 335.429 0.932 70 20 ECID CNC[C@H]1CCN(C(F)(F)COS(=O)(=O)C(F)(F)F)C1 852741616 WXLPELQGNWCWAH-SSDOTTSWSA-N 326.287 0.987 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCCN(CCO)C1 1025534094 JVQMGDMRARLGTN-WDEREUQCSA-N 347.412 0.496 70 20 ECID O=C(NCCNCc1cnsn1)c1cc(S(=O)(=O)F)c[nH]1 1133975926 DPXMGDLATGNHGE-UHFFFAOYSA-N 333.370 0.044 70 20 ECID O=C(NCC1CC(NC(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 992408101 BRJKNGDINAUMAH-UHFFFAOYSA-N 343.380 0.708 70 20 ECID CCCCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2CN)CC1 160203599 UYPCBNWJTHRFDB-AWEZNQCLSA-N 331.482 0.778 70 20 ECID C[C@](O)(CNC(=O)NCCCN1CCOCC1)c1cccs1 160847690 GEZZDVRFOXKXTR-HNNXBMFYSA-N 327.450 0.977 70 20 ECID O=C(NCCCN1CCOCC1)N1CCCN(CC(F)F)CC1 159655704 LPMQJCZPBYFDPP-UHFFFAOYSA-N 334.411 0.691 70 20 ECID COCCCNC(=O)CN(C)[C@@H](C)C(=O)NCc1ccccc1F 159463050 XZYIIJGQWJKEOX-ZDUSSCGKSA-N 339.411 0.915 70 20 ECID O=C(NC1CN(Cc2csnn2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030965994 FFOKNBYYZPYYII-UHFFFAOYSA-N 345.381 0.139 70 20 ECID N#CCN1CC[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 1042238703 WYVGKALHBVBKST-GWCFXTLKSA-N 340.380 0.733 70 20 ECID O=C(NCCNc1nccnc1F)c1cc(S(=O)(=O)F)c[nH]1 1094126757 VBPJDVSUKLUTGD-UHFFFAOYSA-N 331.304 0.444 70 20 ECID COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1262732831 WCCJJTRRZGTOOY-ZETCQYMHSA-N 346.258 0.897 70 20 ECID COC[C@H](O)CCNC(=O)[C@H](C)NC(=O)c1ccc(Cl)cc1 161028332 KOFFFKKWHPUTPJ-GXFFZTMASA-N 328.796 0.972 70 20 ECID CNC(=O)CCNC(=O)c1cncc(I)c1 161221231 FZBKKRXXLXKFKZ-UHFFFAOYSA-N 333.129 0.552 70 20 ECID N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1049727225 IIXJKNCUJWRFOB-CHWSQXEVSA-N 340.380 0.875 70 20 ECID O=C(NC[C@H](O)COc1ccccc1)c1cc(S(=O)(=O)F)c[nH]1 1123647797 CVFFYZMQXXXGLT-JTQLQIEISA-N 342.348 0.843 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@@H](CNCC2CC2)C1 1051829629 FCTOWLWAFXATIZ-NSHDSACASA-N 345.396 0.514 70 20 ECID CC#CCN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1084668637 CRVKWXFKJQYHDL-BXUZGUMPSA-N 339.392 0.843 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2CCN(CCO)C[C@H]2C1 1088110494 BTZSHTQFBQNOOH-MNOVXSKESA-N 345.396 0.059 70 20 ECID CCS(=O)(=O)NCc1ccc(C(=O)N2CCOC[C@H]2C)cc1 160197043 YLZBIMGBVHFBTD-GFCCVEGCSA-N 326.418 0.987 70 20 ECID Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCCCC(N)=O)c1 160272089 CLFQMYWJUOMAQU-UHFFFAOYSA-N 343.387 0.809 70 20 ECID Cn1cc(S(=O)(=O)NC[C@H](O)C2CCCCC2)cc1C(N)=O 159584810 AUXQMACWHPMNPN-ZDUSSCGKSA-N 329.422 0.344 70 20 ECID O=C(O)[C@H]1CCN(C(F)(F)COS(=O)(=O)C(F)(F)F)C1 849343215 FSOASLZBPGOOET-YFKPBYRVSA-N 327.227 0.852 70 20 ECID N#CCNC1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1026560519 SYGNPIZRZPVKQX-UHFFFAOYSA-N 328.369 0.827 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2CN(CCCO)C[C@@H]2C1 1049067593 LEGBCKVBOYYENM-PHIMTYICSA-N 345.396 0.059 70 20 ECID CC[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1C[C@H](C)O 1087728885 VQJVPEMJSPZAQV-XHVZSJERSA-N 347.412 0.636 70 20 ECID C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1ncccn1 1098288547 PRVMFHKPWMQWMT-MRVPVSSYSA-N 327.341 0.693 70 20 ECID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)NCc1ccco1 1336953286 PHLVZXQQUQKWTK-MRVPVSSYSA-N 343.336 0.701 70 20 ECID C[C@@H](O)c1cn(C2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)nn1 1348036272 WGLWICVHPIAUDI-SSDOTTSWSA-N 343.340 0.015 70 20 ECID CCNC(=O)CNC(=O)C(=O)Nc1sc(C)nc1CC(C)C 161144069 PQOBPGXGVWTJKW-UHFFFAOYSA-N 326.422 0.841 70 20 ECID CN(C[C@H]1CCC[C@@H]1O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 161348642 BHAOTTMYZIUVII-XBFCOCLRSA-N 335.408 0.328 70 20 ECID CN1CCO[C@H](C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)C1 160017367 XFKNREMFOSWFNF-INIZCTEOSA-N 343.431 0.538 70 20 ECID Cc1oc(C(=O)N(C)[C@@H](C)CO)cc1S(=O)(=O)N1CCCC1 160412744 DZNVHCQKYXAZOL-JTQLQIEISA-N 330.406 0.825 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1 159441200 TZQKNZOZTHTCAH-RHSMWYFYSA-N 349.406 0.936 70 20 ECID C=CCN1CCOC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051117341 YZBFRSVZPVXZED-SNVBAGLBSA-N 331.369 0.290 70 20 ECID O=C(NCCCNCCOC1CCC1)c1cc(S(=O)(=O)F)c[nH]1 1166871585 KOKJMTWLSPHVLT-UHFFFAOYSA-N 347.412 0.952 70 20 ECID COCCCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1753112040 UTMLQPBWKWTOOQ-NSHDSACASA-N 347.412 0.904 70 20 ECID CC(C)(C)NC(=O)CNC(=O)CNc1ccc(Cl)cc1C(N)=O 161326057 RIBKRNMXFLTEHQ-UHFFFAOYSA-N 340.811 0.882 70 20 ECID COc1ccccc1N1CC[C@H](NC(=O)c2ccc(=O)n(C)c2)C1=O 161328277 SCZOQLASWCIXBA-ZDUSSCGKSA-N 341.367 0.929 70 20 ECID CCCNC(=O)CN1CCC(NC(=O)N2CCO[C@H](C)[C@H]2C)CC1 160121687 SCKJITDIRNBLII-ZIAGYGMSSA-N 340.468 0.796 70 20 ECID Cc1cnn(CCC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1 160438489 PWRDKNZLPVCWOV-OLZOCXBDSA-N 328.438 0.416 70 20 ECID O=C(NCc1nnc2n1CCCC2)c1cc(S(=O)(=O)F)c[nH]1 1347188469 BFJVJRWKTNQERT-UHFFFAOYSA-N 327.341 0.531 70 20 ECID C[C@@H](O)CN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033430547 WHXUURPTYGUZJC-ZJUUUORDSA-N 333.385 0.200 70 20 ECID CCOC(=O)C(=O)[C@]1(CCS(=O)(=O)F)C(=O)Nc2ccccc21 883954532 QLQOCUKJUJAOLR-CQSZACIVSA-N 343.332 0.698 70 20 ECID CCNS(=O)(=O)c1ccc(CNC(=O)[C@H](CC)N(C)C)cc1 161253086 GZEDWGYWTOGXBN-AWEZNQCLSA-N 327.450 0.941 70 20 ECID CCn1c(=O)[nH]c2cc(C(=O)NCC(N)(CC)CC)ccc2c1=O 160435366 XSCUUUFFNOFIDP-UHFFFAOYSA-N 332.404 0.957 70 20 ECID COC[C@H](O)CNS(=O)(=O)c1cc(Br)ccc1F 160903373 ALJVOSCMWRWTSP-MRVPVSSYSA-N 342.186 0.874 70 20 ECID CC(C)[C@H](N)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 159797258 UPVNBJICLXJOSR-IRXDYDNUSA-N 344.459 0.919 70 20 ECID CC(C)C(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 966840158 INCQBEITWJMXPT-JOYOIKCWSA-N 345.396 0.906 70 20 ECID CC(=O)N1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]2C1 986693506 VVWWWBJXSKHHTD-MNOVXSKESA-N 343.380 0.613 70 20 ECID O=C(NC1CN(C(=O)/C=C/C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 999955014 ZEDJEHIFRRRLFG-ONEGZZNKSA-N 341.364 0.580 70 20 ECID CC(C)C(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 161256346 FLZPTERELAEUTB-UONOGXRCSA-N 348.451 0.787 70 20 ECID Cn1nnnc1SCCC(=O)N[C@@H]1CCN(c2ccccn2)C1 161295604 CLWVAWCDLTXUBQ-LLVKDONJSA-N 333.421 0.482 70 20 ECID CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1cnn(C(C)C)c1 159677686 FTJRMSKTOODOOL-UHFFFAOYSA-N 337.467 0.908 70 20 ECID Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@H]3[C@@H](C2)OCCN3C)c1 159689560 XUIRDRNLEHPCCM-JKSUJKDBSA-N 331.416 0.575 70 20 ECID C[C@H]1CN(C(=O)COC(=O)c2cccc(S(=O)(=O)F)c2)CCO1 1119683398 NVEDGLDXZWCALW-JTQLQIEISA-N 345.348 0.749 70 20 ECID CC(C)CC(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999952418 AXEIBVYDMBEZKR-UHFFFAOYSA-N 331.369 0.660 70 20 ECID Cc1cccc(-n2cc(C(=O)NCC3(C(N)=O)CCOCC3)nn2)c1 160063389 GPHKOMDTGWQYMZ-UHFFFAOYSA-N 343.387 0.588 70 20 ECID Cc1sc(=O)n(CCC(=O)NC[C@@H](O)CN2CCCCC2)c1C 160109672 DGSDIYOESCSSAM-CQSZACIVSA-N 341.477 0.880 70 20 ECID NC(=O)[C@H]1CC[C@H](CN[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)O1 160780663 LZRDMESDEASCMW-RBSFLKMASA-N 335.379 0.768 70 20 ECID CCN(CCCNC(=O)NCCc1ccncc1C)S(C)(=O)=O 159811835 WBBYUFPVOOMXOZ-UHFFFAOYSA-N 342.465 0.903 70 20 ECID CN(C)CCN1C[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CC1=O 159890370 CUQQBMCQQICOFG-KMFMINBZSA-N 331.416 0.171 70 20 ECID CCS(=O)(=O)CCCNC(=O)c1cccc(S(=O)(=O)F)c1 1121095832 VCBRXNVGOVXICM-UHFFFAOYSA-N 337.394 0.899 70 20 ECID COC[C@@H](C)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1080466095 LKYYZPXRJAWWFO-GIPNMCIBSA-N 347.412 0.758 70 20 ECID CCCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090575228 DCGVSUGROMUOHG-YPMHNXCESA-N 347.412 0.638 70 20 ECID COC[C@H]1COCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1339167578 FPRUBWMKQPLCMA-LBPRGKRZSA-N 331.365 0.761 70 20 ECID Cn1cc(S(=O)(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)cn1 161271671 PBFFZWTYSALVSB-SECBINFHSA-N 347.343 0.417 70 20 ECID CCCC(=O)N1CCC[C@H](C(=O)NCC2CCN(CCO)CC2)C1 160646215 GLTQNXCHCDJGDO-INIZCTEOSA-N 339.480 0.846 70 20 ECID CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)o1 159912589 YCGLGKNSYVNICL-MXWKQRLJSA-N 328.390 0.875 70 20 ECID C[C@@H](OC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)N1CCNC1=O 838088503 YIDFHKQFEGRKQK-MRVPVSSYSA-N 344.320 0.442 70 20 ECID COCC(C)(C)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1121184487 DKQBBKAZAZHIMO-UHFFFAOYSA-N 347.412 0.856 70 20 ECID CC(C)NC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1051829016 RKUIFJYPQFRVNY-JTQLQIEISA-N 333.385 0.512 70 20 ECID CC(C)[C@H](C)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999954514 IONZFQWXVXPADZ-VIFPVBQESA-N 345.396 0.906 70 20 ECID COC[C@@H]1COCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1339167577 FPRUBWMKQPLCMA-GFCCVEGCSA-N 331.365 0.761 70 20 ECID CN(Cc1nccn1C)C(=O)c1coc(S(=O)(=O)N(C)C)c1 160144484 SBQYIZOTBWKZLS-UHFFFAOYSA-N 326.378 0.536 70 20 ECID COC[C@@H](O)CNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 159492851 VKCGJEOOUAYCFI-KBPBESRZSA-N 326.368 0.704 70 20 ECID N[C@H](C(=O)N1CCN(CCc2cnccn2)CC1)c1ccccc1 217355966 AAWCFTQJKVSDNG-KRWDZBQOSA-N 325.416 0.863 70 20 ECID COC[C@@H](C)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1038711506 ZHVRUGWUVBNFIQ-ZJUUUORDSA-N 333.385 0.512 70 20 ECID C[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 990132842 BDSBYXUVZWUXMP-GMSGAONNSA-N 329.353 0.270 70 20 ECID O=C(N[C@]12CCC[C@@H]1N(CCO)CC2)c1cc(S(=O)(=O)F)c[nH]1 992191700 RONIQWXULGXXPZ-JSGCOSHPSA-N 345.396 0.392 70 20 ECID COCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1097863559 OUJPQOVXXYOBGD-XWIASGKRSA-N 345.396 0.654 70 20 ECID O=C(NCCCNCc1csnn1)c1cc(S(=O)(=O)F)c[nH]1 1166871787 RMQTVLGCWJILFO-UHFFFAOYSA-N 347.397 0.434 70 20 ECID Cc1c(F)cccc1S(=O)(=O)N(CCOCCO)CCN(C)C 161309164 OCOWBQWKSZOKBI-UHFFFAOYSA-N 348.440 0.695 70 20 ECID CN(C)CCN1C[C@H](C(=O)NC[C@@H](O)c2ccsc2)CC1=O 159515856 NXNHQOVPXIJHBY-CHWSQXEVSA-N 325.434 0.308 70 20 ECID COCCN1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1C 1071827806 DLZQTVJRZPCRRT-WDEREUQCSA-N 347.412 0.902 70 20 ECID C[C@@H](O)CN[C@@H]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1086803478 LARGCOMCIWPYSL-OUAUKWLOSA-N 347.412 0.542 70 20 ECID N#CCN[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 981340579 OGPVHTLNVRQLNU-UWVGGRQHSA-N 328.369 0.827 70 20 ECID O=C(N[C@@H](C[C@@H]1CCCOC1)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601409906 IFELTUQUJRMXFF-KWQFWETISA-N 348.352 0.673 70 20 ECID CC(C)(C)NC(=O)NC(=O)CN1CCN(Cc2ccncc2)CC1 161168541 BBGRRXBSYSTSFA-UHFFFAOYSA-N 333.436 0.824 70 20 ECID Cn1nccc1Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 161335544 OJDPWDHOCTULLL-UHFFFAOYSA-N 339.277 0.896 70 20 ECID CC(=O)N1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 1020638838 CUHZXFUQFAMUBV-GXSJLCMTSA-N 345.396 0.907 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCN(CCCO)C1 1033430388 RIQLMNDUPVZHDF-JTQLQIEISA-N 333.385 0.202 70 20 ECID CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 161125964 CPJSKLSPAYFKLA-FZMZJTMJSA-N 342.465 0.970 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1ccccc1-n1cnnn1 160117723 HDFUTPYIHJVZKK-CYBMUJFWSA-N 330.392 0.239 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CCCN(C(=O)C2CC2)C1 160118946 MFRFYBMZXNLHDO-HZPDHXFCSA-N 337.464 0.598 70 20 ECID CNS(=O)(=O)CC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 160180289 BREYTTTXAQAWJX-SECBINFHSA-N 341.216 0.692 70 20 ECID Cc1conc1NC(=O)C(=O)N1CCN(c2ccccc2O)CC1 160310052 IHBFZXHLHXPIEN-UHFFFAOYSA-N 330.344 0.976 70 20 ECID COC[C@@H](O)CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1 160900185 YZYXRRDAXLCOQI-LBPRGKRZSA-N 326.374 0.936 70 20 ECID O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)[C@H]1CCCS1(=O)=O 857672523 CNNFOJYPSKTEOA-SNVBAGLBSA-N 339.341 1.000 70 20 ECID O=C(NC[C@@H]1CCCN1C(=O)C1CC1)c1cc(S(=O)(=O)F)c[nH]1 955842843 YGUBYSCSLWJVJS-JTQLQIEISA-N 343.380 0.804 70 20 ECID CCN(C(=O)Cc1ccc(S(=O)(=O)F)cc1)[C@H]1CCNC1=O 1337437882 PULNRPFLXUDOAC-LBPRGKRZSA-N 328.365 0.624 70 20 ECID O=C1NC[C@@H](O)CC12CCN(c1ccc(S(=O)(=O)F)cn1)CC2 1551191636 KPHFFERFWHAXPR-JTQLQIEISA-N 343.380 0.207 70 20 ECID C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)C[C@H](O)C1CC1 160824263 YAGVNDYCVZJOQV-HIFRSBDPSA-N 349.431 0.655 70 20 ECID COC[C@H](O)CCNC(=O)c1nc2ncc(Br)cn2n1 160907781 XQSWYUOHYMSHCF-MRVPVSSYSA-N 344.169 0.014 70 20 ECID O=C(CNCC1CC1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 160978948 HAINVFLUPJLWLK-HNNXBMFYSA-N 331.416 0.782 70 20 ECID O=C1C[C@H](C(=O)NC[C@H](c2cccs2)N2CCOCC2)CCN1 159676064 AWTZOQQXLYIISL-CHWSQXEVSA-N 337.445 0.764 70 20 ECID CN1CCN(C(=O)CSc2nnc(-c3ccccn3)n2C)CC1 159510753 FYLZRRLVLADOOB-UHFFFAOYSA-N 332.433 0.743 70 20 ECID CC(=O)N1CC[C@]2(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CCC[C@H]12 1014456764 IHFHGKOQITUWFD-GXTWGEPZSA-N 343.380 0.946 70 20 ECID O=C(NC[C@@H](O)COc1ccccc1)c1cc(S(=O)(=O)F)c[nH]1 1123647798 CVFFYZMQXXXGLT-SNVBAGLBSA-N 342.348 0.843 70 20 ECID C[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)C1CC1 1078505819 ATMQSOHIDJCVHJ-QMMMGPOBSA-N 331.369 0.708 70 20 ECID N[C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1580384217 ORQUQLKSTXHSEV-YPMHNXCESA-N 345.396 0.641 70 20 ECID Cn1cc(Br)cc1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 161130056 JQEPDBQQJGRXGG-PSASIEDQSA-N 330.182 0.550 70 20 ECID CNC[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)NC)c1 161238145 RPVZHRRSDMOOQC-LLVKDONJSA-N 329.397 0.558 70 20 ECID O=C(CCn1cncn1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 160061721 KEMDTHPZQVXLMI-UHFFFAOYSA-N 339.403 0.889 70 20 ECID Cc1ccc(CNC(=O)NCC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1 159683832 ASODRHDDTCQZKT-HOTGVXAUSA-N 346.431 0.336 70 20 ECID CN(C)CCN1C[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CC1=O 159890502 CUQQBMCQQICOFG-QRTARXTBSA-N 331.416 0.171 70 20 ECID C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1039437938 CKZAVTHWAHQWML-NEPJUHHUSA-N 339.392 0.985 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOC2(CCNCC2)C1 1580812460 ZBHKRXKTLVOENI-UHFFFAOYSA-N 331.369 0.268 70 20 ECID CC(=O)N(C)C1CCN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1 161439813 XBOAOIBKZZBTIH-UHFFFAOYSA-N 330.388 0.950 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N(C)CCn2cccn2)c1CC 160344983 ZLCIDRKUOBAIHZ-UHFFFAOYSA-N 332.408 0.933 70 20 ECID CC(C)C[C@H](CO)NC(=O)C1CCN(c2ccc3nncn3n2)CC1 160783468 VONKPSVAWKYPQH-CQSZACIVSA-N 346.435 0.864 70 20 ECID Cc1cc(C[C@@H](C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)n[nH]1 159698123 DTBAAMBWANZWME-BXKDBHETSA-N 330.454 0.729 70 20 ECID CN(CCNc1cnc(F)cn1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1101955274 ATJCKWSCVJXOQZ-UHFFFAOYSA-N 345.331 0.786 70 20 ECID O=c1ccc(I)cn1CCS(=O)(=O)F 883953861 NTNNABKSPWACRR-UHFFFAOYSA-N 331.106 0.752 70 20 ECID C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1518263874 VFENGNNZBMVZRU-HLTSFMKQSA-N 331.369 0.753 70 20 ECID COCCC1(CNC(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 161006425 GDGMTCVHLKOQOY-UHFFFAOYSA-N 340.468 0.655 70 20 ECID CNC[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 161226610 JQMTWJOJPVMTGR-NWDGAFQWSA-N 343.424 0.703 70 20 ECID Cn1cc(C2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)cn1 161232462 LDHXYELWLHIVIE-CQSZACIVSA-N 329.408 0.916 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 161341275 QOXQNARCCNXRBN-JKSUJKDBSA-N 334.416 0.734 70 20 ECID CC(C)CC(=O)NCCC(=O)N1CCCN(CC(=O)N(C)C)CC1 160271638 QXXXTTJUCIEQSX-UHFFFAOYSA-N 340.468 0.161 70 20 ECID O=C(CCN1CCCC1=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1 160322335 NHMDQQCJADICMB-JKSUJKDBSA-N 337.464 0.883 70 20 ECID Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)c2c(=O)[nH]n(C)c2n1 160397795 SQBUEGYUXDMQNF-GFCCVEGCSA-N 347.419 0.147 70 20 ECID Cc1conc1CN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1030971932 CHBIIUJORXKSDW-UHFFFAOYSA-N 342.352 0.584 70 20 ECID CC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 945827368 KOPVSJIJDYWXNS-GWCFXTLKSA-N 343.380 0.756 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]2CN(CCCO)C[C@H]21 1076256122 KOEFONJDABFWQR-GXFFZTMASA-N 345.396 0.202 70 20 ECID O=C(NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)c1ccc[nH]1 990229951 NFTPRPBKJWCXQT-UHFFFAOYSA-N 340.336 0.255 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1CNCC#N 1185168918 KKJVSBJOQKOWRF-QWRGUYRKSA-N 342.396 0.884 70 20 ECID CCCNC(=O)[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1338295820 VAJKIYJFAFLIJV-JTQLQIEISA-N 330.381 0.918 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H](Cn2ccnn2)C1 1348034354 LIHZHFPKISECBH-JTQLQIEISA-N 341.368 0.817 70 20 ECID CCC(N)(CC)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 160430807 DLXBFCSLGRAQAE-GFCCVEGCSA-N 327.450 0.987 70 20 ECID C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)C[C@H](O)C1CC1 160744579 XKXJJZMKUNNIIY-HIFRSBDPSA-N 333.436 0.216 70 20 ECID COC[C@@H](O)CNC(=O)C1CCC(NC(=O)C2CCCC2)CC1 159441667 KGDSWYKCGGUXDJ-NRXISQOPSA-N 326.437 0.975 70 20 ECID CC[C@H](CN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)OC 1030972143 NUIQFAYSEYOHJW-SNVBAGLBSA-N 333.385 0.512 70 20 ECID CC(=O)N1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@@H]21 946046146 HOQVIMNFPCXECP-GWCFXTLKSA-N 343.380 0.756 70 20 ECID C=CCCN1CCOC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051115694 CPMCZMDTZDUUKA-LLVKDONJSA-N 345.396 0.680 70 20 ECID C[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)[C@H]1CN(C)CCO1 889637584 ZUACTUUYUZHLIG-GXFFZTMASA-N 330.381 0.794 70 20 ECID Cc1nccc(N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)n1 160892510 QXXXFDHKQBVKNT-CQSZACIVSA-N 327.388 0.800 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C[C@@H]2CCOC2)CC1 950561422 CLBYUTIGFJKUMP-NSHDSACASA-N 345.396 0.467 70 20 ECID CC(=O)NCCN(C)C(=O)CCc1ccc(S(=O)(=O)F)cc1 1349731218 IDVSTHLJWZZVSQ-UHFFFAOYSA-N 330.381 0.872 70 20 ECID O=C(N[C@@H](Cc1ccncc1)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1605728919 DVMNFCOWPFJYRU-NSHDSACASA-N 341.320 0.494 70 20 ECID Nc1nc(Cl)cc(NCCNS(=O)(=O)c2cccnc2)n1 161199287 ZWHGFLVDSUWYHM-UHFFFAOYSA-N 328.785 0.498 70 20 ECID COCc1nc2n(n1)C[C@@H](Nc1c(C)c(C)nc3ncnn13)CC2 161336458 PPXXDOBDBXKOIH-NSHDSACASA-N 328.380 0.906 70 20 ECID O=C1C[C@H](CC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CO1 160031193 VTEBOALBAOZHPK-AWEZNQCLSA-N 342.399 0.932 70 20 ECID CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CCN(c2ccccn2)C1 160136919 YGDQUZNDDPAVDC-GFCCVEGCSA-N 325.434 0.990 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)co1 160422484 NGGMUSVXEODKFN-JSGCOSHPSA-N 336.369 0.576 70 20 ECID CCOC(=O)C[C@H](C)NC(=O)CN1CCN(c2ccccn2)CC1 160851779 SUGHXSYGHDOKGQ-AWEZNQCLSA-N 334.420 0.662 70 20 ECID CCn1cc(S(=O)(=O)NC[C@@H](O)COc2cccc(C)c2)cn1 159937917 NDXXFFDZKRIELA-CYBMUJFWSA-N 339.417 0.930 70 20 ECID COCCN(C)S(=O)(=O)Nc1ccc(C)c(S(=O)(=O)F)c1 853043957 AOGVKBGBIYSATA-UHFFFAOYSA-N 340.398 0.888 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@]2(CCOC2)O1 1121094742 KJMLVNZHOVJTFR-ZANVPECISA-N 332.353 0.693 70 20 ECID CC(C)CN1CCOC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051115854 FAGDSUDOECFSKX-LLVKDONJSA-N 347.412 0.760 70 20 ECID Cc1nnc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)s1 1133976532 OHWSJKAJEYSAPS-UHFFFAOYSA-N 347.397 0.352 70 20 ECID O=C(NCC1[C@H]2CN(CCF)C[C@H]12)c1cc(S(=O)(=O)F)c[nH]1 978728192 UWLKLPKAMUKWIF-GHMZBOCLSA-N 333.360 0.550 70 20 ECID CC(C)CN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090576114 JODVEPANCCITLK-YPMHNXCESA-N 347.412 0.494 70 20 ECID CS(=O)(=O)CCCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1527976390 CMEILEPQOGJWGS-UHFFFAOYSA-N 340.398 0.618 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(-n2cnnn2)c1 160257570 FQUDAKGORRRAHI-OAHLLOKOSA-N 330.392 0.239 70 20 ECID CCC(N)(CC)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 160558756 OPSSRAATLWTVQB-DZGCQCFKSA-N 335.452 0.963 70 20 ECID C[C@H](NC(=O)NC[C@H](C)N1CCOCC1)c1nnc2n1CCCC2 159892893 BRHGCKBXCXBQCJ-STQMWFEESA-N 336.440 0.695 70 20 ECID CCC(=O)NC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1053463363 YWTZINAWBYWEOA-UWVGGRQHSA-N 345.396 0.907 70 20 ECID COCCCN[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209679985 VOKBCLDHWORUNO-LLVKDONJSA-N 347.412 0.904 70 20 ECID CCCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090575227 DCGVSUGROMUOHG-WCQYABFASA-N 347.412 0.638 70 20 ECID Cn1nccc1[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)O 1605567831 IAAISLJKRDIHGG-NSHDSACASA-N 341.320 0.634 70 20 ECID CN(C)S(=O)(=O)c1ccc2nnn(OCc3nccs3)c2c1 161157817 KSWOEEBBCFIECV-UHFFFAOYSA-N 339.402 0.767 70 20 ECID CC(C)(CO)CNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC(C)(C)CO 161496516 QUBCSDNBKGNOHE-CHWSQXEVSA-N 328.453 0.672 70 20 ECID CC(C)NC(=O)CN1CCN(C(=O)[C@H](C)C2CCOCC2)CC1 159625770 ZGVFSRQYQYJHOU-CQSZACIVSA-N 325.453 0.718 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C(=O)C2(C)CC2)C1 955355124 FGEOZMQXAKPLJZ-UHFFFAOYSA-N 343.380 0.756 70 20 ECID CC(C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 979312902 AODXYXVRMVSKIV-AOOOYVTPSA-N 345.396 0.954 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CC(C)(C)O 1346320576 QDRPZSVBFOUJFA-JTQLQIEISA-N 347.412 0.590 70 20 ECID C[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)C1CC1 1756497135 QNQWASLPEUIZIN-QMMMGPOBSA-N 331.369 0.660 70 20 ECID Cc1conc1NC(=O)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 160113879 PCUBAMGLOCYOBZ-RYUDHWBXSA-N 338.408 0.926 70 20 ECID COC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2ccccc2)CC1 159578580 FKWJISRUCNBNNS-CYBMUJFWSA-N 326.418 0.945 70 20 ECID CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958985902 GFSICMUKMBVWAZ-PSASIEDQSA-N 331.369 0.660 70 20 ECID CCN1CCCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1073769643 MQTTZWBCBNODSO-SNVBAGLBSA-N 333.385 0.514 70 20 ECID Cc1cnc(CNC[C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)o1 1754242235 KLASIJJITAHDRZ-MRVPVSSYSA-N 344.368 0.877 70 20 ECID C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@H](C)CO 160486571 CUOLKYGCSOUEFS-ZJUUUORDSA-N 334.825 0.846 70 20 ECID Cn1cc(C[C@@H]2CCN(C(=O)NC[C@H]3CCCS3(=O)=O)C2)cn1 159653352 NLIYRKDUHNDWON-GXTWGEPZSA-N 340.449 0.571 70 20 ECID C[C@H]1CN(S(=O)(=O)N2CCC(Cn3ccnn3)CC2)[C@H](C)CO1 159486707 MHFGPHIGYKESFP-OLZOCXBDSA-N 343.453 0.344 70 20 ECID CC[C@@H](C)C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004490631 XOVACZAJXOBDLI-SECBINFHSA-N 345.396 0.907 70 20 ECID Cn1ccc(CCNC(=O)Cc2ccc(S(=O)(=O)F)cc2)n1 1338050930 FVMBXRYNJVWYIO-UHFFFAOYSA-N 325.365 0.980 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCOC2(CNC2)C1 1580570260 UPIPSTGYUVCRPG-UHFFFAOYSA-N 328.365 0.088 70 20 ECID NC(=O)[C@H]1CC[C@H](CNC(=O)c2cnc(-c3ccccc3)nc2)O1 161025512 FOZXLYWXPJHCKO-ZIAGYGMSSA-N 326.356 0.906 70 20 ECID Cc1cnccc1CCNC(=O)NC1CCN(CC(=O)N(C)C)CC1 161091204 SXGJEABGGUIQKO-UHFFFAOYSA-N 347.463 0.784 70 20 ECID COCCCn1c(S(=O)(=O)Cc2ccc(C)cc2)n[nH]c1=O 161202919 DFAGUMYJOPMVKG-UHFFFAOYSA-N 325.390 0.890 70 20 ECID Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c(=O)[nH]1 160480198 YYPGAQDQOAGBAX-JQWIXIFHSA-N 327.406 0.131 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H](N(C)C)C1)CC2 160724874 XEJKNRXRGSUALC-STQMWFEESA-N 336.440 0.475 70 20 ECID O=C(Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)NCCO 159471498 MCOOCLHACWKDOH-UHFFFAOYSA-N 325.308 0.674 70 20 ECID C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CC#N 947725933 GBWNHEWCJZDYES-VHSXEESVSA-N 328.369 0.779 70 20 ECID CC(C)(F)C(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 990052606 ZCMPCMQZBZGPJJ-UHFFFAOYSA-N 335.332 0.362 70 20 ECID CN1CC[C@@H](NS(=O)(=O)c2c(Cl)nc3sccn23)C1=O 217752913 BTWMQQOSYOTOAQ-ZCFIWIBFSA-N 334.810 0.558 70 20 ECID C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1756480416 CTUUWFQLICAFSC-FXPVBKGRSA-N 345.396 0.906 70 20 ECID CCOC(=O)[C@@H](F)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1348406196 QAYLKBDWIZHMRF-JTQLQIEISA-N 336.316 0.646 70 20 ECID C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1CNCCO 1133124530 BEBVHDGNQSWLSL-MNOVXSKESA-N 347.412 0.353 70 20 ECID CN(C)C(=O)CCNC(=O)CCc1ccc(S(=O)(=O)F)cc1 1262714814 HTBIEOPLYHXAMS-UHFFFAOYSA-N 330.381 0.872 70 20 ECID Cc1nn(C)c(C)c1CC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 160237624 HIUFKQIIBXRMGS-JSGCOSHPSA-N 342.465 0.414 70 20 ECID CCc1cc(O)nc(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)n1 160621334 JOXNHFVMLKLHLJ-GFCCVEGCSA-N 333.436 0.529 70 20 ECID CS(=O)(=O)NCCNC(=O)N1CCC[C@@H](Nc2ccccc2)C1 160918263 RMCSTRYYHSHUND-CQSZACIVSA-N 340.449 0.822 70 20 ECID N#Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nc1 460099063 YWVMJFGLSFGOGL-UHFFFAOYSA-N 341.345 1.412 70 20 ECID C[C@H](O)CN1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808858 PHOVGKKICNMKOJ-VHSXEESVSA-N 333.385 0.105 70 20 ECID CC(=O)N1CCC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 948606581 ZRXMUBBONMUVSQ-UHFFFAOYSA-N 331.369 0.661 70 20 ECID CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 959280274 CFFKRPRJLGHUME-WPRPVWTQSA-N 331.369 0.660 70 20 ECID Cc1ncc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)o1 1133981086 GSCCFGIYNKLCMX-UHFFFAOYSA-N 330.341 0.489 70 20 ECID C[C@H](O)CCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1267749675 RCUQZUSFHODGCL-WDEREUQCSA-N 347.412 0.638 70 20 ECID O=C(NCCS(=O)(=O)CC1CC1)c1cccc(S(=O)(=O)F)c1 1354475325 QXQIXZFGXGEPKA-UHFFFAOYSA-N 349.405 0.899 70 20 ECID CC(=O)N1c2ccc(S(=O)(=O)NC[C@H](C)CO)cc2C[C@@H]1C 159702705 CHDSBHJYXITEHE-QWRGUYRKSA-N 326.418 0.891 70 20 ECID CC(C)CN(CC(N)=O)C(=O)CCn1nnc2ccccc2c1=O 159760036 OWTNIJYOMGOMPU-UHFFFAOYSA-N 331.376 0.152 70 20 ECID CN(C)C(=O)CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 159994557 FBSBFJXYPKTDLW-UHFFFAOYSA-N 326.356 0.892 70 20 ECID COc1ccccc1C(=O)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1262732501 JWCOBXCNLSVVJI-UHFFFAOYSA-N 341.320 0.756 70 20 ECID COc1cc(C(=O)N[C@H](C(=O)O)C2CC2)ccc1S(=O)(=O)F 1607075799 JHSXQAGJNHAZOI-NSHDSACASA-N 331.321 0.946 70 20 ECID O=c1[nH]c2ccc(S(=O)(=O)N(CCO)Cc3cccnc3)cc2[nH]1 161208872 HUGXLDKCBXERRS-UHFFFAOYSA-N 348.384 0.434 70 20 ECID CCCCS(=O)(=O)N1CCC(C(=O)NC[C@H](C)CCO)CC1 160955381 XZAFPFTYCRZDDY-CYBMUJFWSA-N 334.482 0.963 70 20 ECID CC[C@@H](NC(=O)N(CCN(C)C)C(C)C)C(=O)N1CCOCC1 159517591 VPKSJSAEXZJTCP-CQSZACIVSA-N 328.457 0.605 70 20 ECID CCCc1nonc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460088904 CUEMFPGQKZOFDU-UHFFFAOYSA-N 349.365 1.481 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1CCNCC#N 1104692583 IALDQYLPZPMVIT-GHMZBOCLSA-N 342.396 0.884 70 20 ECID CO[C@H](C)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 950558806 IYYQGIGKLIQOEG-SNVBAGLBSA-N 333.385 0.466 70 20 ECID N#CCN1C[C@@H]2CCCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1050140300 MADHDXFZBVXGOC-GXFFZTMASA-N 340.380 0.733 70 20 ECID COC[C@@](C)(NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(=O)OC 1338751951 JLUBKCNEKZMBAR-CQSZACIVSA-N 347.364 0.582 70 20 ECID CC[C@@](C)(O)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 160285740 WQCJXNSBNVVUSL-CQSZACIVSA-N 327.406 0.316 70 20 ECID O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CCOC2(CCCCC2)C1 160610438 IBXFMJAEQHDKFY-AWEZNQCLSA-N 344.477 0.715 70 20 ECID CCCC1(CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 160705856 JTFDUKDMEHAASR-NSHDSACASA-N 328.438 0.783 70 20 ECID CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H](C)CNC)CC2 160885667 WJXHQVXGNHJCJV-NSHDSACASA-N 325.434 0.729 70 20 ECID O=C1C[C@H](C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CCN1 159722027 UEGBTRKFMACOEQ-HZPDHXFCSA-N 331.416 0.702 70 20 ECID C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1029478352 KHEDDJBBIGZGAI-QWRGUYRKSA-N 325.365 0.595 70 20 ECID C[C@H](OC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)N1CCNC1=O 838088504 YIDFHKQFEGRKQK-QMMMGPOBSA-N 344.320 0.442 70 20 ECID CCN1CCN([C@H](C)CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1123617189 TYMHHMVEQLTASY-LLVKDONJSA-N 346.428 0.429 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1CNCCO 1185154836 CVUHMQHEBPXVJY-WDEREUQCSA-N 347.412 0.353 70 20 ECID CS(=O)(=O)C[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1 1340626305 ZCVQSNWHCAKNEF-JTQLQIEISA-N 349.405 0.852 70 20 ECID NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1347808869 DPGZBFKUUISGOI-NSHDSACASA-N 339.348 0.499 70 20 ECID C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cccc(S(=O)(=O)F)c1 1516689777 NFXSMXKBOZVXMZ-VIFPVBQESA-N 337.394 0.850 70 20 ECID C[C@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1527977536 SWZBMQUOOVJXGO-ZJUUUORDSA-N 333.385 0.200 70 20 ECID C=CCOCCN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1753387470 PXXNSWYZULYVPF-UHFFFAOYSA-N 331.369 0.290 70 20 ECID COC(=O)CN(C)C(=O)CCN1CCC([C@H](O)C(F)(F)F)CC1 161338531 YJDTYLAOYKTJKO-ZDUSSCGKSA-N 340.342 0.643 70 20 ECID CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 161388017 PKHLABBRHWOWPC-HNNXBMFYSA-N 346.431 0.814 70 20 ECID COC[C@H](O)CNC(=O)c1nnn(-c2cccc3ncccc23)c1C 159518524 VTBSGVRDIZLZQJ-GFCCVEGCSA-N 341.371 0.861 70 20 ECID O=C(COC(=O)c1ccc(S(=O)(=O)F)cc1)NC1CCOCC1 838088417 WAGFIEVYUALNTH-UHFFFAOYSA-N 345.348 0.797 70 20 ECID C[C@H](C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)N1C(=O)CCC1=O 857674178 DSFUUAAAVSQCTQ-SSDOTTSWSA-N 346.311 0.960 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H]2CCN(CCO)[C@H]2C1 1042238392 SNHLWCQIPMIKLD-GWCFXTLKSA-N 345.396 0.202 70 20 ECID Cc1nc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)oc1C 1133976888 VSATYZPHZWWQDM-UHFFFAOYSA-N 344.368 0.797 70 20 ECID CC(C)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090576965 PIFPEIRMNNZLCG-JQWIXIFHSA-N 333.385 0.246 70 20 ECID C[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)NCc1ccon1 1755603484 CCPBNVITNKMZRO-VIFPVBQESA-N 344.368 0.911 70 20 ECID C[C@H]1NC(C(=O)N2CCOC[C@@H]2C2CC2)=NN(c2ccccc2)C1=O 161256199 JCRUNOQRXZKJHU-IUODEOHRSA-N 342.399 0.962 70 20 ECID CN1CCN(c2ccc(NC(=O)c3cccc(=O)n3C)nc2)CC1 159921293 HHGHLWVWBGQOLP-UHFFFAOYSA-N 327.388 0.784 70 20 ECID O=C(N[C@H]1C[C@@H](NCc2ccon2)C1)c1cc(S(=O)(=O)F)c[nH]1 1022726197 RYVGOYBROVKMMD-AOOOYVTPSA-N 342.352 0.712 70 20 ECID CCOC(=O)N1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1 217263852 UQJBSGOTOWKDTK-UHFFFAOYSA-N 344.412 0.995 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC(NC(=O)C2CC2)C1 1017047596 MGBMUPYTKDTSED-UHFFFAOYSA-N 343.380 0.802 70 20 ECID N#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1049727228 IIXJKNCUJWRFOB-STQMWFEESA-N 340.380 0.875 70 20 ECID CCN1CC2(CC[C@H](CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)O2)C1 1053660000 CWUGSQBPJBKUQR-SNVBAGLBSA-N 345.396 0.656 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1CNCCO 1185154831 CVUHMQHEBPXVJY-MNOVXSKESA-N 347.412 0.353 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)c2ccc(C(N)=O)cn2)c1CC 160141064 DOGGLKGBFBQVIQ-UHFFFAOYSA-N 329.360 0.319 70 20 ECID O=C(COCC(=O)N1C[C@@H]2CCC[C@H](C1)N2)NCc1cccnc1 160406102 OSBSCNWPNULSJR-GASCZTMLSA-N 332.404 0.067 70 20 ECID Cc1cc(N[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nn1C 159677083 IOENIWNJCIUCHW-SNVBAGLBSA-N 337.405 0.815 70 20 ECID CC(=O)N[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C 1007754178 RDJFTEYKDXKOFT-NSHDSACASA-N 331.369 0.660 70 20 ECID O=C(O)[C@@H]1CCCN1C(F)(F)COS(=O)(=O)C(F)(F)F 849343122 CMUILLOCHXFSFS-YFKPBYRVSA-N 327.227 0.994 70 20 ECID CC(C)C(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 948095792 DSSKZYRSJPABOU-ZHAHWJHGSA-N 343.380 0.658 70 20 ECID CC(C)=CCN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1077689979 PLVSPLHBESOSEY-CHWSQXEVSA-N 345.396 0.414 70 20 ECID N#Cc1cnc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1 1094126887 YNLAQQYKTNTUJJ-UHFFFAOYSA-N 338.324 0.176 70 20 ECID CN(C)C(=O)C1(CNC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)CCCC1 160505359 PHMFWEPXNQNHFI-KBPBESRZSA-N 338.452 0.359 70 20 ECID O=C(CCNC(=O)c1cccs1)NC[C@@H](O)CN1CCCCC1 160596813 FSUULJCSAUOAMQ-CYBMUJFWSA-N 339.461 0.831 70 20 ECID Cc1ccc(CNC(=O)NCC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cc1 159683433 ASODRHDDTCQZKT-HZPDHXFCSA-N 346.431 0.336 70 20 ECID C[C@@H]1CN(CCF)C[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1092967944 KCIREBXAPXECLR-NXEZZACHSA-N 335.376 0.940 70 20 ECID CCNCC1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 161082421 HHEHSDAVUBIYPM-UHFFFAOYSA-N 345.490 0.875 70 20 ECID CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 161385300 QJUHENFLPJUBCW-KKUMJFAQSA-N 340.468 0.376 70 20 ECID Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CC(O)C2)cc1 161467825 REIYXDRDQRIHCO-OAHLLOKOSA-N 340.445 0.891 70 20 ECID Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)N[C@H](C)C(=O)NC(N)=O)cc1 159854615 PTFWJRFIHUTZOJ-GHMZBOCLSA-N 331.376 0.708 70 20 ECID O=C(c1ccc2[nH]ncc2c1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 159386506 OJHFZTOACAARQJ-CQSZACIVSA-N 341.415 0.847 70 20 ECID O=C(NCC1CN(C(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1004489585 NKJTZUQLUPETHX-UHFFFAOYSA-N 329.353 0.271 70 20 ECID Cc1cc(NC(=O)C(=O)N(C)CC(C)(C)CN2CCOCC2)no1 160130840 LJNAYCRDFDAVJS-UHFFFAOYSA-N 338.408 0.738 70 20 ECID CC(=O)N1CC[C@H](NC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)C1 159411660 GVYSIXNQNCOVQE-ZWKOTPCHSA-N 344.459 0.712 70 20 ECID COCC(=O)N(C)CC(=O)Nc1cccc(CN2CCN(C)CC2)c1 159755906 SOEXWTUHLQMSEW-UHFFFAOYSA-N 348.447 0.477 70 20 ECID CC(=O)N1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 1015237787 FAJXKROAXYPPFZ-KWQFWETISA-N 331.369 0.802 70 20 ECID CN(CC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)S(C)(=O)=O 857673982 ALGFZLNYQLNINO-UHFFFAOYSA-N 342.345 0.314 70 20 ECID O=C(NC[C@@H]1CCCCN1CCCO)c1cc(S(=O)(=O)F)c[nH]1 1024651660 AOGARUAZHDNNPU-NSHDSACASA-N 347.412 0.640 70 20 ECID C[C@@H](O)CN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1080457999 AKVCMEMKRNMOKJ-KBVBSXBZSA-N 333.385 0.104 70 20 ECID C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1262787724 HEDALJLITCMPIQ-NSHDSACASA-N 346.428 0.429 70 20 ECID C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C)CC1 1263716479 DFQJHUYJFYWTCM-JTQLQIEISA-N 332.401 0.039 70 20 ECID O=C(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1cccnc1 1345747231 HEOYSFBNZDRYEI-UHFFFAOYSA-N 340.336 0.827 70 20 ECID CCn1cc(S(=O)(=O)N(C)CC2CCN(C[C@@H](C)O)CC2)cn1 161464042 XQYZXABGDHTEEG-CYBMUJFWSA-N 344.481 0.616 70 20 ECID C[C@@H](NC(=O)c1cccc2c1oc(=O)n2C)C(=O)N1CCOCC1 161510675 BPNOOCCGKKELRV-SNVBAGLBSA-N 333.344 0.109 70 20 ECID O=C(NCCN1C(=O)CCC1=O)c1cc2c([nH]c1=O)CCCCC2 160314178 REYCAUUBQCGGFP-UHFFFAOYSA-N 331.372 0.523 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)COc1ccccc1 160538028 LBGHFFXWUVMWJG-JSGCOSHPSA-N 326.418 0.900 70 20 ECID COCC(=O)N1CC[C@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 957612140 KXNTYOWDLPGZKK-ZDUSSCGKSA-N 347.368 0.040 70 20 ECID CCCN1CC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CCO2 1053433825 LNEJWUFMROEOFL-UHFFFAOYSA-N 345.396 0.610 70 20 ECID Cc1nnc([C@H](C)NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)o1 1133981275 KZAXKGIIXPFJHM-ZETCQYMHSA-N 345.356 0.445 70 20 ECID O=C(NC[C@H](CO)Cc1ccco1)c1cc(S(=O)(=O)F)c[nH]1 1123466073 XHEKLKLPRLLDLX-SECBINFHSA-N 330.337 0.847 70 20 ECID CS(=O)(=O)CC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1519146984 PVBQJSQLFFPNAN-UHFFFAOYSA-N 338.382 0.228 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 161201521 UGYSSUKXPUARTO-JKSUJKDBSA-N 334.416 1.000 70 20 ECID C[C@@H](NCCO)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 159721186 ZWYQUBVXJKNPBN-CYBMUJFWSA-N 329.466 0.560 70 20 ECID C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H](O)C(C)(C)C 159596319 UEWYMJOEVOAMMB-ZJUUUORDSA-N 334.463 0.938 70 20 ECID COCCOCC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 216736783 IWVCCYMAOGONQD-UHFFFAOYSA-N 326.315 0.567 70 20 ECID CO[C@H](C)CN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1179549977 ONWXHTHGLAFUJE-SCVCMEIPSA-N 347.412 0.900 70 20 ECID Cc1ccc2c(c1)c(=O)c(-c1nn[nH]n1)cn2CCS(=O)(=O)F 1592204848 HWFAZYSABMKOHU-UHFFFAOYSA-N 337.336 0.789 70 20 ECID CNC(=O)Cn1cc(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)cn1 159430342 YESWIWKJQQNMHT-UHFFFAOYSA-N 328.332 0.061 70 20 ECID CC(=O)N1CCN(C(=O)CCNC(=O)N(C)Cc2cccn2C)CC1 159670023 KTPONSBWDSOTMR-UHFFFAOYSA-N 349.435 0.247 70 20 ECID CCC(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1012078773 MEOQORBGZRDUEY-WCBMZHEXSA-N 331.369 0.802 70 20 ECID C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CNc1ncccn1 1104214701 UUBUHWKDDZSNEW-VIFPVBQESA-N 341.368 0.941 70 20 ECID CNC[C@@H]1CCCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 161195328 BXIKBDUYNBGMQL-SUMWQHHRSA-N 330.388 0.565 70 20 ECID N[C@H]1CCC[C@@H](NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)C1 160921549 COQIJKGGXZMCII-UONOGXRCSA-N 330.388 0.738 70 20 ECID O=C(NC[C@H]1CCCS1(=O)=O)N1CCO[C@H](c2ccco2)C1 159648769 GLXKKHQDTLRZPY-YPMHNXCESA-N 328.390 0.940 70 20 ECID CN(C(=O)Cc1ccc(S(=O)(=O)F)cc1)[C@H]1CCS(=O)(=O)C1 1337795043 JIRHNDSVEXRQNW-NSHDSACASA-N 349.405 0.533 70 20 ECID O=C(N[C@@H]1COc2ccccc2[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1347341004 WINRFRGJGVKSRZ-YPMHNXCESA-N 340.332 0.897 70 20 ECID C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCNC(=O)C2)CC1 161266682 LTOFUEVNECNTDJ-CYBMUJFWSA-N 331.420 0.748 70 20 ECID CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCC[C@@H](N)C2)cc1 161367050 CDKKEWFWVHWLJQ-KGLIPLIRSA-N 339.461 0.913 70 20 ECID C[C@H](CNS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1)CN1CCOCC1 160388599 DVMIULGATHOHOC-RBSFLKMASA-N 333.498 0.767 70 20 ECID CC(=O)N1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 1020638841 CUHZXFUQFAMUBV-ONGXEEELSA-N 345.396 0.907 70 20 ECID CC(C)OCCNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166880467 ZMDRIGDJDLDZRL-UHFFFAOYSA-N 335.401 0.807 70 20 ECID COCCNC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1754823376 XRVCWAFWHIJVOJ-QWRGUYRKSA-N 347.412 0.617 70 20 ECID Cn1nnnc1-c1cccc(NCC(=O)NCC(=O)NC(C)(C)C)c1 161211089 YWPJHKISWQVGQO-UHFFFAOYSA-N 345.407 0.320 70 20 ECID Cc1ccc(S(N)(=O)=O)c(C(=O)N(C)C[C@H]2CCC[C@@H]2O)c1 161335372 JJDYXLNZRMUSAM-YPMHNXCESA-N 326.418 0.875 70 20 ECID O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N1CC(O)C1 161438703 AYVNTZLAZJVYQI-UHFFFAOYSA-N 344.458 0.668 70 20 ECID Cn1cc(N2CC[C@H](NC(=O)NCc3ccc(O)c(F)c3)C2=O)cn1 160300045 SIYQRAWDTDDBGK-ZDUSSCGKSA-N 347.350 0.870 70 20 ECID CN(C)c1ccccc1NC(=O)C(=O)NCCNC(=O)C(C)(C)C 159416060 BNVBJFKXOJUPEK-UHFFFAOYSA-N 334.420 0.970 70 20 ECID CC(C)C(=O)NCCCNC(=O)Nc1ccc(-n2cnnn2)cc1 159652036 JEKRLTJSTYTDBA-UHFFFAOYSA-N 331.380 0.946 70 20 ECID NC(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1 1348646544 JCTXYAPIAIMUGU-UHFFFAOYSA-N 325.321 0.702 70 20 ECID COC(=O)[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)F)cc1 864239805 PLQBFZYLGOXQFI-LLVKDONJSA-N 331.321 0.359 70 20 ECID CC1(C(=O)N2CC[C@@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1 942442300 KYTZGKANVAOFRU-SECBINFHSA-N 343.380 0.804 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C[C@@H]2CCOC2)C1 1043895017 BWDLUBWWOOLCGX-JTQLQIEISA-N 345.396 0.466 70 20 ECID CO[C@H](C)CN1CC([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970423471 KGYYJFSXAHLGSZ-NXEZZACHSA-N 347.412 0.758 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2C[C@H](NCCO)C[C@H]1C2 1095004889 MXSIRGPVMAHNCQ-GARJFASQSA-N 345.396 0.248 70 20 ECID CCOC(=O)Cn1cnc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1337361844 WBKYXLFMYYYJTE-UHFFFAOYSA-N 345.312 0.080 70 20 ECID CCc1nnsc1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 160323292 LOSHHXKAWNAHKQ-WPRPVWTQSA-N 332.451 0.548 70 20 ECID CN[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cc(C)ccc2C)C1 160508492 OLOMCMDPHQMVRV-CQSZACIVSA-N 339.461 0.792 70 20 ECID CN(CC(=O)N1CCC[C@H](C(N)=O)C1)Cc1cccc(N(C)C)c1 159877189 WNTZDHNHEBQSCV-HNNXBMFYSA-N 332.448 0.908 70 20 ECID Cc1nn(C)c(C)c1S(=O)(=O)N(CCS(C)(=O)=O)C1CC1 159584705 USZXKAVXIHLADD-UHFFFAOYSA-N 335.451 0.235 70 20 ECID CC#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1037585291 TXMVXDBAOAOZDH-JIMOISOXSA-N 325.365 0.499 70 20 ECID CC(C)(F)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1009789352 JBGGMZQFQLSYJG-UHFFFAOYSA-N 349.359 0.705 70 20 ECID NC(=O)C1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCOCC1 864243258 FDLHRWVHDZUWLO-UHFFFAOYSA-N 330.337 0.109 70 20 ECID C#CCCN1CC(N(CC)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 951761431 XXJANASMPONAMO-UHFFFAOYSA-N 327.381 0.843 70 20 ECID O=C(N[C@@]12CCC[C@H]1N(CCO)CC2)c1cc(S(=O)(=O)F)c[nH]1 992191706 RONIQWXULGXXPZ-TZMCWYRMSA-N 345.396 0.392 70 20 ECID O=C(CO)N1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 161064040 ONPXNGCQHDUMIK-UHFFFAOYSA-N 329.360 0.745 70 20 ECID CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@@H]1CN)C2=O 160203741 URDABXOUYDALGR-UIORMTCPSA-N 336.436 0.827 70 20 ECID C#CCNC1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1026560083 ADDOXKQHMRYTDY-UHFFFAOYSA-N 327.381 0.937 70 20 ECID CC#CCN1CC[C@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046627808 IVYAQOYFCSKFEE-AWEZNQCLSA-N 327.381 0.890 70 20 ECID N#CCN1CCCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1034404982 WXPJAOODZXXJJR-SNVBAGLBSA-N 328.369 0.781 70 20 ECID C[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)[C@@H](C)C#N 1078505842 BFYXQXSCJHCGKY-IUCAKERBSA-N 344.368 0.457 70 20 ECID COCCCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1317985290 TVBJTRSIYLPGOU-NSHDSACASA-N 347.412 0.904 70 20 ECID O=C1N[C@H]2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)C[C@@H]2CO1 1349546400 JMCRYTIYMSINHJ-PWSUYJOCSA-N 342.348 0.915 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]1CN1CCOCC1 1263716717 LBTJDSLQDIZYGF-NSHDSACASA-N 345.396 0.610 70 20 ECID CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccc2c(c1)N(C)CCC2 161408209 FNECYDKQGVZFTR-MRXNPFEDSA-N 341.477 0.660 70 20 ECID CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 160563706 GVGSGCDIPIBURG-TUAOUCFPSA-N 325.413 0.446 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N(C)CCOCC1CC1)CC2 160846537 QCBIVDHQZQAOKJ-ZDUSSCGKSA-N 337.424 0.807 70 20 ECID O=c1[nH]c2ccc(S(=O)(=O)NCc3ccccc3CO)cc2[nH]1 159755251 YKLILHBRXQBQHF-UHFFFAOYSA-N 333.369 0.827 70 20 ECID O=C(CN1CCC(=O)NC1=O)NCCCN1CCc2ccccc2C1 216812595 GEBLTDXQNUDOIN-UHFFFAOYSA-N 344.415 0.493 70 20 ECID CC(C)C(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 939491377 UQZKYDXWQNVGNV-SECBINFHSA-N 331.369 0.660 70 20 ECID C[C@H]1CN(CCCO)CC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 942861265 WQRUIDRQYIZBGY-CMPLNLGQSA-N 347.412 0.496 70 20 ECID CC(C)C(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942442082 ZWCUMQWYWNYARM-SECBINFHSA-N 331.369 0.660 70 20 ECID CC(=O)NC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 959595925 CZAUSZYDPIWQAO-WPRPVWTQSA-N 331.369 0.517 70 20 ECID C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346341109 MMWDRMVBSNOVQL-JGVFFNPUSA-N 338.382 0.321 70 20 ECID C[C@H](C(=O)NC(=O)NC1CC1)N1CCC([C@@H](O)C(F)(F)F)CC1 161227205 MMNPGZOFWGQJDN-LDYMZIIASA-N 337.342 0.998 70 20 ECID CN(C)C(=O)CCCC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 160505967 RLNGZZIMQBDDLW-IRXDYDNUSA-N 347.459 0.997 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 159441456 TZQKNZOZTHTCAH-PBHICJAKSA-N 349.406 0.936 70 20 ECID CCN(CCCO)C(=O)[C@H](CCSC)NS(=O)(=O)CC 160451436 RFRFLZHPPAAZEK-NSHDSACASA-N 326.484 0.278 70 20 ECID O=C(NC[C@H]1CCCCN1CCO)c1cc(S(=O)(=O)F)c[nH]1 1024651698 BTRWCKAXQNDIGE-SNVBAGLBSA-N 333.385 0.250 70 20 ECID COC[C@H](C)NC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1100684873 OWJSEGZDAWGKED-WHXUTIOJSA-N 347.412 0.806 70 20 ECID CC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 945827369 KOPVSJIJDYWXNS-GXFFZTMASA-N 343.380 0.756 70 20 ECID CCS(=O)(=O)CC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1 876318687 IDFRGBUDUAULBO-UHFFFAOYSA-N 341.357 0.998 70 20 ECID O=C(NCCCNCc1cnsn1)c1cc(S(=O)(=O)F)c[nH]1 1166871786 RMBAAMKVLAIOOZ-UHFFFAOYSA-N 347.397 0.434 70 20 ECID C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1ncc(F)cn1 1098288147 GHVOBCNISBLIQU-SSDOTTSWSA-N 345.331 0.832 70 20 ECID O=C(CCc1ccc(S(=O)(=O)F)cc1)NC[C@@H]1CNC(=O)C1 1338198761 ICVXTELNNCBBAO-LLVKDONJSA-N 328.365 0.530 70 20 ECID O=C(CO)N1CCN(C(=O)Nc2ccc(Cn3cccn3)cc2)CC1 159960957 KDWHJSMNPZOFJL-UHFFFAOYSA-N 343.387 0.600 70 20 ECID C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1010078959 WUALXILPDKBVIV-GXSJLCMTSA-N 343.380 0.613 70 20 ECID CO[C@H](C)CN1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808166 CSGJLBNWKMABDA-MNOVXSKESA-N 347.412 0.760 70 20 ECID CCOC(=O)C(=O)[C@@]1(CCS(=O)(=O)F)C(=O)Nc2ccccc21 883954531 QLQOCUKJUJAOLR-AWEZNQCLSA-N 343.332 0.698 70 20 ECID CC(=O)NC1(C)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 956256028 HBGZASBWKIXBHB-UHFFFAOYSA-N 331.369 0.804 70 20 ECID C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1cnc(F)cn1 1098288875 ZVYSDKQSDRBZPN-SSDOTTSWSA-N 345.331 0.832 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@H]1CCO[C@H]1C(=O)O 1601362154 UQXUXRBGHLLLJO-CMPLNLGQSA-N 331.321 0.246 70 20 ECID CCCCn1ncc(C(=O)NC2CCN(CC(=O)NC)CC2)c1C 161423671 ATSGZAHQMYMKHA-UHFFFAOYSA-N 335.452 0.932 70 20 ECID COC[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 159509497 QENGGZLMDUXFHA-MFKMUULPSA-N 326.780 0.816 70 20 ECID COc1ccc([C@]2(C)NC(=O)N(CCS(=O)(=O)F)C2=O)cc1 916622922 RMFPMZYGQORNPF-ZDUSSCGKSA-N 330.337 0.762 70 20 ECID COCCCNC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1100685047 YERCQFXDFGFPPX-UHFFFAOYSA-N 347.412 0.807 70 20 ECID CCOCC(=O)N[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1078506283 LOXSDVYARUXWCN-VIFPVBQESA-N 349.384 0.334 70 20 ECID O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCOC[C@H]1C1CC1 161260060 CCXZAQQDJPKNIA-HNNXBMFYSA-N 343.383 0.717 70 20 ECID CC(C)[C@@H](CCO)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 160624518 SBUJZBYPDSLFCJ-LLVKDONJSA-N 339.417 0.875 70 20 ECID CN1N=C(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)CCC1=O 160642665 MOXBZTXRHFYEGO-CABCVRRESA-N 336.436 0.479 70 20 ECID C[C@H](NC(=O)c1cccs1)C(=O)NCC1CCN(CCO)CC1 160695503 GJWGTKXQMZOMAG-LBPRGKRZSA-N 339.461 0.687 70 20 ECID CC(=O)N1CC[C@H](C)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1018459300 MBCORNVXQGDRPP-GXSJLCMTSA-N 345.396 0.907 70 20 ECID CC1(C(=O)N2CC(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1 1004488810 KDQWWSKGNCMULE-UHFFFAOYSA-N 343.380 0.661 70 20 ECID CCCC(=O)N1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1013808631 XFBFICPTMDSKKS-NXEZZACHSA-N 343.380 0.660 70 20 ECID Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCCSCCCO 161452763 ZBNYSXDGLPAPLQ-UHFFFAOYSA-N 338.433 0.414 70 20 ECID COc1cccc2c1CC[C@H]2NC(=O)CN1CCS(=O)(=O)CC1 160038275 ILINELWHYJVRCK-CQSZACIVSA-N 338.429 0.529 70 20 ECID O=C(NCCn1cccc1)C(=O)Nc1ccc(N2CCOCC2)nc1 160234635 AHGPIIOALDTPFT-UHFFFAOYSA-N 343.387 0.475 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1CC 160353800 ZMQNRGSHFSKWSU-HUUCEWRRSA-N 349.435 0.119 70 20 ECID CCN(CC(C)(C)O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 160812146 HHNBNSHNENFODI-LLVKDONJSA-N 325.413 0.542 70 20 ECID CC(C)(C)NC(=O)CNC(=O)Cn1cc(NC(=O)C(C)(C)C)cn1 160897346 MIQJAQHKYWERCD-UHFFFAOYSA-N 337.424 0.899 70 20 ECID COCC(=O)N(C)CC(=O)NCc1ccc(-n2ccnc2)c(F)c1 159945245 WMESJJSULJGDBX-UHFFFAOYSA-N 334.351 0.732 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N=c1cc[nH]c(C(=O)O)n1 1608363541 NQPJGMAKJJTVPI-UHFFFAOYSA-N 339.304 0.436 70 20 ECID Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@H](CO)CC(C)C 161017502 XBFYBVUFSMWMLY-NSHDSACASA-N 332.422 0.975 70 20 ECID NC(=O)[C@H]1CC[C@@H](CNC(=O)c2cccnc2N2CCCCC2)O1 161213782 BHUSUNQRSUQYPH-GXTWGEPZSA-N 332.404 0.835 70 20 ECID COc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)c(C)c1 161419719 JCGCZAYPKDWDEY-UHFFFAOYSA-N 342.461 0.986 70 20 ECID C[C@H](C(=O)NC[C@H]1CCCN1S(C)(=O)=O)N1CCCCCC1 160536794 PMANCTAEYYBJCF-ZIAGYGMSSA-N 331.482 0.791 70 20 ECID CCO[C@@H]1CCCN(C(=O)N[C@H]2CCc3nc(COC)nn3C2)C1 160632556 GMTNIBWRCWYWDS-QWHCGFSZSA-N 337.424 0.950 70 20 ECID Cn1cnnc1CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 160701757 KUJCFKKQAKCLDK-UHFFFAOYSA-N 332.383 0.711 70 20 ECID C[C@H]1CN(C(=O)Cn2cc(NC(=O)[C@]3(C)CCNC3)cn2)C[C@@H](C)O1 160709765 DURJRDYORQUWEK-IIYDPXPESA-N 349.435 0.457 70 20 ECID C[C@@H](O)CNC1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1026560559 VVDIRSDMNGRRPH-KPPDAEKUSA-N 347.412 0.684 70 20 ECID C#CCN1C[C@@H]2CCCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1050141878 ZIPWXSLZARSJDV-SMDDNHRTSA-N 339.392 0.843 70 20 ECID CC[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1337149644 UPNZXYNKEWOJRY-GFCCVEGCSA-N 328.365 0.624 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOC[C@@H]1c1ncon1 1263760457 DKSNCDPIGLCUIT-SECBINFHSA-N 330.297 0.270 70 20 ECID Cc1nc2nc(N)nn2c(C)c1CC(=O)NOCCC(F)(F)F 160977975 SGBNJASPWMJEHM-UHFFFAOYSA-N 332.286 0.866 70 20 ECID C#CCCN1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035510222 KAJCMCXCZCHFHG-LLVKDONJSA-N 343.380 0.127 70 20 ECID Cn1cc(N2CCC[C@H](N3CCC[C@H](CCC(N)=O)C3)C2=O)cn1 160334692 SMMFYIIGDVBGCE-HIFRSBDPSA-N 333.436 0.893 70 20 ECID CCC(CC)[C@H](O)CNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 160646324 UBHIPJLFGFHVGY-CHWSQXEVSA-N 339.440 0.836 70 20 ECID Cc1nc2c(c(C)c1CC(=O)N[C@H](CO)CC(C)C)c(=O)[nH]n2C 160767787 GKIONBUNNPJUFI-LBPRGKRZSA-N 334.420 0.944 70 20 ECID CN(C)C(=O)CCCNC(=O)N1CCN(Cc2ccccn2)CC1 159609538 DFLRDVSIFXSTMG-UHFFFAOYSA-N 333.436 0.777 70 20 ECID CN(C)c1cccc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 159636577 FGRNUOIFMSGCGO-GFCCVEGCSA-N 325.434 0.764 70 20 ECID Cn1cc(C[C@H]2CCN(C(=O)NC[C@H]3CCCS3(=O)=O)C2)cn1 159653468 NLIYRKDUHNDWON-TZMCWYRMSA-N 340.449 0.571 70 20 ECID CO[C@@H](C)CN[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209679156 QRIZHXFLUQVOFO-WDEREUQCSA-N 347.412 0.902 70 20 ECID COC[C@H](C)N1CC([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970437149 OMNDJVHMYVRKBQ-UWVGGRQHSA-N 347.412 0.758 70 20 ECID COCC(=O)N1CCN(Cc2nnc(-c3ccccc3)n2C)CC1 160797814 MGUQVBFVQPILEI-UHFFFAOYSA-N 329.404 0.773 70 20 ECID C[C@H](N)[C@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)CCO1 852740336 BJOLAXKCMMSYCC-NKWVEPMBSA-N 342.286 0.493 70 20 ECID O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)[C@H]1CCS(=O)(=O)C1 857674462 KZBHKCKRJCYTJP-ZETCQYMHSA-N 339.341 0.857 70 20 ECID C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)F)cc1)C(=O)NCCF 1337577592 KTWJCVMKJBNESC-SNVBAGLBSA-N 348.371 0.868 70 20 ECID C[C@H]1CN(CCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C)O1 1123468295 LRIKNQWOGNXYIV-PHIMTYICSA-N 347.412 0.902 70 20 ECID C[C@@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CCO 1071828255 LVRWJSMEHINODP-NXEZZACHSA-N 333.385 0.248 70 20 ECID O=C(CCNC(=O)N1CCCN(CC(F)F)CC1)N1CCOCC1 160117636 LUHKKZPCKJITGC-UHFFFAOYSA-N 348.394 0.218 70 20 ECID CCc1nnsc1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 160323380 LOSHHXKAWNAHKQ-SCZZXKLOSA-N 332.451 0.548 70 20 ECID CN(C)Cc1ccc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 160475176 MVKCBRSZKLKSKW-OAHLLOKOSA-N 339.461 0.902 70 20 ECID CS(=O)(=O)NCCCNC(=O)c1cc(=O)[nH]c2cc(F)ccc12 159462704 XHPXSCIEJBKBKE-UHFFFAOYSA-N 341.364 0.336 70 20 ECID O=C(O)CN(C1CC1)C(F)(F)COS(=O)(=O)C(F)(F)F 849343235 FZZQKLUMGLXXJP-UHFFFAOYSA-N 327.227 0.994 70 20 ECID O=C(N[C@@H]1CCN(Cc2ccon2)C1)c1cc(S(=O)(=O)F)c[nH]1 1015716500 WUVBOCKKRUXOIP-SECBINFHSA-N 342.352 0.665 70 20 ECID Cc1noc([C@H](C)NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1133983057 XBPZCXVEFVXZEA-ZETCQYMHSA-N 345.356 0.445 70 20 ECID O=S(=O)(F)c1ccc(N2CCC(N3CC[C@@H](O)C3)CC2)nc1 1550627914 CQBRDCWFMBECNX-GFCCVEGCSA-N 329.397 0.775 70 20 ECID COCCN(CCO)S(=O)(=O)c1ccc2c(c1)N(C)CCC2 161027311 PJZXLQBDGXGFJD-UHFFFAOYSA-N 328.434 0.698 70 20 ECID CCN1CCN(C(=O)[C@@H](C)N2CCN(Cc3ccncc3)CC2)CC1 161171844 SLMSZEFHEVJJKY-QGZVFWFLSA-N 345.491 0.752 70 20 ECID CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2N(C)C)C1 161443486 PFTJPYCXOXOKIA-LBPRGKRZSA-N 332.404 0.818 70 20 ECID Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CC(O)C2)cc1 161467695 REIYXDRDQRIHCO-HNNXBMFYSA-N 340.445 0.891 70 20 ECID Cn1cc(S(=O)(=O)N2CCC3(CCCC3)CC2)c(=O)n(C)c1=O 160592762 RNVMGCWCHWLZFF-UHFFFAOYSA-N 341.433 0.429 70 20 ECID Cc1ccc(NC(=O)C(=O)N2CCN(CCN3CCCC3)CC2)cn1 160628005 DAYPGCTWHVILLF-UHFFFAOYSA-N 345.447 0.569 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2nnc3ccccn23)co1 160896224 KIFSBQOBESACAY-SECBINFHSA-N 349.372 0.721 70 20 ECID Cc1ccc(CNC(=O)NCC(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)cc1 159683692 ASODRHDDTCQZKT-CVEARBPZSA-N 346.431 0.336 70 20 ECID CN1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc4c(c3)CCC4)C[C@@H]21 159700802 RZTKDYXXHGYCGS-DLBZAZTESA-N 343.427 0.447 70 20 ECID CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)F)cc1 838093838 RUGRQNMGIIABPW-QMMMGPOBSA-N 346.336 0.448 70 20 ECID COCC(=O)N(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1 857675451 NYSJNIOZDGJWQN-UHFFFAOYSA-N 332.353 0.697 70 20 ECID CC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN(CCO)CC1 1045559057 UEGZPRHLNZLDSA-UHFFFAOYSA-N 333.385 0.250 70 20 ECID CC(C)c1cc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)n(C)n1 160732379 PSWVBNVEECSGGQ-NWDGAFQWSA-N 342.465 0.991 70 20 ECID Cn1cnnc1CN1CCN(C(=O)COc2ccc(F)cc2)CC1 160788255 RKVNEQMVEBAPMN-UHFFFAOYSA-N 333.367 0.677 70 20 ECID COC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 217286301 CWPKXKOROQPPHF-NSHDSACASA-N 326.397 0.479 70 20 ECID CCS(=O)(=O)NCCOC(=O)c1ccc(S(=O)(=O)F)cc1 490537115 NWCDBTDCVTWEBK-UHFFFAOYSA-N 339.366 0.441 70 20 ECID C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938415930 ZWZBAJLQTMXIBS-WCABBAIRSA-N 343.380 0.660 70 20 ECID CNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1 864238973 XDORPKQGJOLSNM-UHFFFAOYSA-N 328.365 0.943 70 20 ECID CC(C)C(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 976183220 JDMWCMOWDJQZSJ-IAZYJMLFSA-N 343.380 0.516 70 20 ECID CCOCCN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1215571279 IPDFBPBYZUDUMZ-ZWNOBZJWSA-N 347.412 0.760 70 20 ECID C=CCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090575676 HABWPOVEYHRHHI-AAEUAGOBSA-N 345.396 0.414 70 20 ECID CN(CCCNC[C@@H]1CCOC1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1754396507 QKEHJIAJHNDXAS-NSHDSACASA-N 347.412 0.761 70 20 ECID CCc1c(C(=O)NCc2cn(CC(=O)OC)nn2)cnn1CC(C)C 161253299 HMSXJDCOOWBENL-UHFFFAOYSA-N 348.407 0.796 70 20 ECID O=C(CCn1cccn1)N1CCN(C(=O)c2ccc(O)cc2)CC1 160386754 KIVJIUMIQODCBK-UHFFFAOYSA-N 328.372 0.963 70 20 ECID CC1(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCC1 160518822 JWQMMPXDCMZDJI-UHFFFAOYSA-N 346.435 0.757 70 20 ECID Cc1c(C(=O)NCCc2ccco2)cnc2c1c(=O)n(C)c(=O)n2C 159689693 UUDCLJASNHLICT-UHFFFAOYSA-N 342.355 0.506 70 20 ECID C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCS(=O)(=O)F)C1=O 883953876 OKUQNHRZEXOBHJ-CYBMUJFWSA-N 325.321 0.625 70 20 ECID C#CCCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1080466673 XFQQOCKQQMHBGZ-ZWNOBZJWSA-N 327.381 0.746 70 20 ECID CC(=O)NCCc1ccc(S(=O)(=O)N(C)C[C@H](O)C2CC2)s1 161449753 FXHLZLYEKLBHNW-ZDUSSCGKSA-N 346.474 0.818 70 20 ECID CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 160049991 WNXRTXHWASNVDZ-CQSZACIVSA-N 342.399 0.726 70 20 ECID CCN(C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 217285898 MYWFTYUSKVYZLY-RYUDHWBXSA-N 345.465 0.604 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)NC[C@](C)(O)c1ccco1)CC2 160649971 AIDUPFCJKGXMBL-BZNIZROVSA-N 349.391 0.539 70 20 ECID Cn1cc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)c(=O)n(C)c1=O 159480019 HRLOEKBNXTXXTC-VXGBXAGGSA-N 341.433 0.427 70 20 ECID CN(Cc1cnccn1)C(=O)c1cncc(OS(=O)(=O)F)c1 1887497538 CDNYXMYYRXEDSN-UHFFFAOYSA-N 326.309 0.737 70 20 ECID C[C@H](O)CN1CC=C(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1001156610 MWNRXQJFMYLASI-JTQLQIEISA-N 345.396 0.416 70 20 ECID CCC(=O)N1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 943797386 AKRNJJUOVXPOKY-SECBINFHSA-N 331.369 0.804 70 20 ECID CC(=O)NC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 973558788 OMCPSGRTUYYPJE-FGWVZKOKSA-N 343.380 0.945 70 20 ECID O=C(NCCC1=CCN(CCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1161286829 BLDVLGUNZBHETK-UHFFFAOYSA-N 345.396 0.417 70 20 ECID CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC(C)C)c2)C1 161434745 IAPVPGLNSKSOHL-GFCCVEGCSA-N 335.408 0.605 70 20 ECID Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@H](C)CO)cc1 160415870 XRZDQVHAXNTUNW-ZFWWWQNUSA-N 340.445 0.893 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CCc1cccnc1 160518606 QINNJAXSDNCMIM-KBPBESRZSA-N 325.434 0.848 70 20 ECID CC(=O)NC[C@@H]1CCCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 159733640 SDTFWMOIKQYQSX-GOEBONIOSA-N 333.436 0.764 70 20 ECID O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CCOC2(CCCC2)C1 159735997 QSOZYRUKLZXQSY-ZDUSSCGKSA-N 330.450 0.325 70 20 ECID CC(=O)N[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C12CCC2 1025846907 TXBOBDJDVMEJDN-NEPJUHHUSA-N 343.380 0.850 70 20 ECID O=C(N[C@@H]1CCCN(C(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 949629968 MPNQIZCURHONMC-SNVBAGLBSA-N 343.380 0.804 70 20 ECID CN1CCCN(CCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1123524916 VKQHDSLYONCGAM-UHFFFAOYSA-N 346.428 0.430 70 20 ECID CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nncn1C 1262788299 YDTFKTJSGDPKIZ-SNVBAGLBSA-N 329.357 0.929 70 20 ECID O=C(NCc1nnc(S)n1C1CC1)c1cc(S(=O)(=O)F)c[nH]1 1346290141 BVVVGDXOGMFQIG-UHFFFAOYSA-N 345.381 0.818 70 20 ECID CC(C)[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC#N 1755550724 KLKWHJZDUKOQLP-LLVKDONJSA-N 330.385 0.931 70 20 ECID CCN(Cc1ccccn1)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 161044653 LBXQJUHEFMQOQQ-NSHDSACASA-N 345.403 0.155 70 20 ECID O=C(CCN1CCCC1=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 160322066 NHMDQQCJADICMB-HZPDHXFCSA-N 337.464 0.883 70 20 ECID Cc1cc(O)cc(=O)n1CC(=O)N[C@](C)(C(N)=O)c1ccccc1 159829229 UAKXWBKBDAIPCF-KRWDZBQOSA-N 329.356 0.379 70 20 ECID CC(C)N1CC2(C[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CO2)C1 1053927001 QQINGRYCDOQKPT-JTQLQIEISA-N 345.396 0.654 70 20 ECID CN(CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ncccn1 1095737477 PSEFYJHBEGORGA-UHFFFAOYSA-N 341.368 0.719 70 20 ECID CN1C[C@@H](NC(=O)Cc2ccc(S(=O)(=O)F)cc2)CCC1=O 1349190760 MEKHADRHSHGQIW-NSHDSACASA-N 328.365 0.624 70 20 ECID COC(=O)C[C@@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCOC1 1348033533 BWAFHOYJHRKHGO-ZDUSSCGKSA-N 348.352 0.515 70 20 ECID C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1527977534 SWZBMQUOOVJXGO-VHSXEESVSA-N 333.385 0.200 70 20 ECID CC(C)c1nnc(CNC(=O)c2cccc(-n3cnnn3)c2)n1C 159555406 BZNZGLBZUNCQER-UHFFFAOYSA-N 326.364 0.844 70 20 ECID C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942441271 DMRITZXXTZWWPS-DTWKUNHWSA-N 342.352 0.163 70 20 ECID Cc1cnccc1CCNC(=O)NCC(C)(C)NS(C)(=O)=O 161079070 FLPOLCQJCQLBIK-UHFFFAOYSA-N 328.438 0.560 70 20 ECID COCCOc1cccc(CC(=O)NCCN2CCN(C)CC2)c1 161176287 OSEGQGRILFDMOC-UHFFFAOYSA-N 335.448 0.618 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)co1 160380162 LVFFIDZUIMXABW-YPMHNXCESA-N 341.433 0.744 70 20 ECID COC[C@@H](O)CNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C 159493017 VKCGJEOOUAYCFI-UONOGXRCSA-N 326.368 0.704 70 20 ECID O=C(COC(=O)c1ccc(S(=O)(=O)F)cc1)NC[C@@H]1CCCO1 838087925 LEYUSKKYZDMCCT-NSHDSACASA-N 345.348 0.797 70 20 ECID N#CCN1CCCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1034404981 WXPJAOODZXXJJR-JTQLQIEISA-N 328.369 0.781 70 20 ECID CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 946074229 UDANKBGNDXQGKV-MWLCHTKSSA-N 331.369 0.708 70 20 ECID CCCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1047529821 PTELISIPOLZVPU-STQMWFEESA-N 347.412 0.590 70 20 ECID CCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 964353848 HODCGVQQQZIOJB-SECBINFHSA-N 347.368 0.040 70 20 ECID C=CCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1201421538 VXNXONKQSXUBBM-LLVKDONJSA-N 345.396 0.680 70 20 ECID COCCC(=O)N[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1078506994 ZSNBUANWLPSXIP-VIFPVBQESA-N 349.384 0.334 70 20 ECID CO[C@@H](C)CNC/C=C\CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1754183827 QLQSHZHGOGUEDW-XOULXFPDSA-N 333.385 0.583 70 20 ECID CC(C)N1C[C@H](NC(=O)NCCNC(=O)OC(C)(C)C)CC1=O 217289335 UJRWFFBJLOOWAE-LLVKDONJSA-N 328.413 0.820 70 20 ECID C[C@@H]1CN(CCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1123727449 NAHOOSUUAZLZSP-LLVKDONJSA-N 347.412 0.904 70 20 ECID C=CCCN1CCOC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051115696 CPMCZMDTZDUUKA-NSHDSACASA-N 345.396 0.680 70 20 ECID O=C(NC1[C@@H]2CN(CC3CC3)C[C@@H]12)c1cc(S(=O)(=O)F)c[nH]1 961789134 MHOONCLBKNKJNB-GHMZBOCLSA-N 327.381 0.743 70 20 ECID C[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CCCO 1071828533 PZXRKLWMFQRTAT-QWRGUYRKSA-N 347.412 0.638 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCN(C)C(=O)[C@@H]1C 1262790947 FZLZRRJPDXWDPY-JTQLQIEISA-N 328.365 0.956 70 20 ECID NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1519746383 VOTFOTCROGVIPY-ZOFUNIGCSA-N 329.353 0.399 70 20 ECID CC1=C(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCCO1 161244072 WWFWCGBBBDUBIV-UHFFFAOYSA-N 330.344 0.655 70 20 ECID CCn1c(=O)n(CC(=O)N(CC(N)=O)CC(C)C)c2ccccc21 159758148 MJTWEOXUHGJTQA-UHFFFAOYSA-N 332.404 0.793 70 20 ECID CC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 937479518 JSFKMXGVMKCGNY-JTQLQIEISA-N 331.369 0.804 70 20 ECID Cc1ncoc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133981571 UHLNTUFYMPNUDA-UHFFFAOYSA-N 330.341 0.489 70 20 ECID O=C(NC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CC1 983313881 KOIAMZZIWCRINZ-VIFPVBQESA-N 343.380 0.661 70 20 ECID C[C@H](O)CN1CC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085819925 LVNYXRINUZINBV-UWVGGRQHSA-N 333.385 0.200 70 20 ECID C[C@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 1527977533 SWZBMQUOOVJXGO-UWVGGRQHSA-N 333.385 0.200 70 20 ECID Cc1c(NC(=O)C(=O)NCCCC(N)=O)cnn1-c1ccccc1 160271418 VTFNKTBSURFPDS-UHFFFAOYSA-N 329.360 0.501 70 20 ECID O=C1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)N1 160413905 MZRQXGNUCVNABF-HUUCEWRRSA-N 329.400 0.615 70 20 ECID CN[C@H]1CCN(C(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)C1 160810040 LQUZJHXDKIRKCF-MNOVXSKESA-N 349.460 0.882 70 20 ECID C[C@H]1CN(CCCO)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 942861266 WQRUIDRQYIZBGY-JQWIXIFHSA-N 347.412 0.496 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOC[C@@H]1[C@@H]1CCCO1 1349531437 DMLLCQZOIAOXLL-NEPJUHHUSA-N 332.353 0.693 70 20 ECID COCCN(Cc1ccc(C)o1)C(=O)N[C@H]1CCS(=O)(=O)C1 160263305 QCEOLLRGBGICHG-LBPRGKRZSA-N 330.406 0.933 70 20 ECID Cn1cnc(S(=O)(=O)N(CCS(C)(=O)=O)C2CC2)c1Cl 159582300 WGAGSRYMWLGTOK-UHFFFAOYSA-N 341.842 0.271 70 20 ECID COCCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)F)c1 460094430 RTDZWGZMPLGALI-UHFFFAOYSA-N 339.366 0.345 70 20 ECID O=C(OC[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)F)c1 1119615202 RGCHLBWYEQEKSE-SECBINFHSA-N 336.362 0.936 70 20 ECID C[C@H](O)CN1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C(C)(C)C1 975044471 AZNHTWRGDVRMHZ-CABZTGNLSA-N 347.412 0.494 70 20 ECID CCN(C[C@H](C)O)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1155306468 ARKIJISGQVDILN-ZJUUUORDSA-N 335.401 0.494 70 20 ECID NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1347808868 DPGZBFKUUISGOI-LLVKDONJSA-N 339.348 0.499 70 20 ECID O=[N+]([O-])c1ccc(N[C@@H]2COC3(CNC3)C2)c(CS(=O)(=O)F)c1 1580876003 VYINXWYAFPWRBR-JTQLQIEISA-N 345.352 0.937 70 20 ECID CN(CC(=O)N[C@H](CCO)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 159522404 SQRPPYIOGDCSFE-HUUCEWRRSA-N 340.445 0.345 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCN(CC#N)C1 1033954825 VVMJARZEMPUGEA-JTQLQIEISA-N 328.369 0.733 70 20 ECID C[C@H]1C[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355671 XQYAOFKQTBMBHQ-GZMMTYOYSA-N 343.380 0.612 70 20 ECID CC#CCN1CC([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970437033 NTFFEHHUTPLZGZ-SNVBAGLBSA-N 327.381 0.746 70 20 ECID CC(C)N1CCC(O)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1527977327 QIKAEFNVGVJFDY-UHFFFAOYSA-N 347.412 0.638 70 20 ECID C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)[C@@H](C)CO 160486425 CUOLKYGCSOUEFS-UWVGGRQHSA-N 334.825 0.846 70 20 ECID C[C@@H](C(=O)NC[C@H]1CCCN1S(C)(=O)=O)N1CCCCCC1 160536656 PMANCTAEYYBJCF-UONOGXRCSA-N 331.482 0.791 70 20 ECID C[C@H](O)CN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141757 POVMUOSHHFFUDE-VHSXEESVSA-N 333.385 0.248 70 20 ECID CO[C@H](C)CNC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1100684978 UQBMQKANAUVIJW-KPPDAEKUSA-N 347.412 0.806 70 20 ECID C[C@H]1C(=O)N(C)CCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1121102645 MNMNIEQCLHXDEQ-JTQLQIEISA-N 328.365 0.576 70 20 ECID Cc1oncc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133976294 KTHWHOMPXJSEFA-UHFFFAOYSA-N 330.341 0.489 70 20 ECID COC(=O)[C@@]1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCOC1 1338251055 RFSQVLCNVLOHMR-CYBMUJFWSA-N 331.321 0.407 70 20 ECID CC(=O)NC[C@@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 159730995 XQEKFJGURULLCT-AWEZNQCLSA-N 336.436 0.699 70 20 ECID CO[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1032634107 JHRPTEQXKWXHJN-VWYCJHECSA-N 345.396 0.607 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C(=O)C(C)(C)F)C1 955355667 XOVJMUKMOADSRB-UHFFFAOYSA-N 349.359 0.704 70 20 ECID O=C(NCc1ncc(C(=O)O)s1)c1cc(S(=O)(=O)F)c[nH]1 1601550469 PUKOGNRSECKTNF-UHFFFAOYSA-N 333.322 0.758 70 20 ECID C[C@H](NCCCO)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1754799236 LHBXHGQMFJFOMY-QWRGUYRKSA-N 347.412 0.496 70 20 ECID CC(C)S(=O)(=O)CCCN1CCN(CC(=O)N2CCCC2)CC1 160558386 AFYOFGRPSNNWDO-UHFFFAOYSA-N 345.509 0.440 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 160978658 JXFGUSUUJVUYJE-LZWOXQAQSA-N 338.379 0.859 70 20 ECID Cc1oc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1S(N)(=O)=O 159799361 ZRLPCHKOZJQLRS-MXWKQRLJSA-N 328.390 0.923 70 20 ECID Cc1ncc(C)c(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1094126809 XLVZHNXYGHEYSC-UHFFFAOYSA-N 341.368 0.922 70 20 ECID CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1337520015 NCBDJAGWLDUOGR-ZETCQYMHSA-N 326.371 0.226 70 20 ECID COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1338241030 GHLLHRZAYAGBIC-QMMMGPOBSA-N 340.279 0.696 70 20 ECID C[C@@H](NCCCO)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1754799235 LHBXHGQMFJFOMY-MNOVXSKESA-N 347.412 0.496 70 20 ECID CN[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)C1 160810317 LQUZJHXDKIRKCF-GHMZBOCLSA-N 349.460 0.882 70 20 ECID COC[C@@H](O)CNS(=O)(=O)c1cnn(-c2ccccc2F)c1 160904082 GLDMDCYASUIQKW-JTQLQIEISA-N 329.353 0.297 70 20 ECID O=C(CO)N1CCN(C(=O)Nc2ccn(Cc3ccccc3)n2)CC1 159612192 QHDAXYKLBMBJGX-UHFFFAOYSA-N 343.387 0.600 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)co1 159724112 OCLYWTCPWZTYGL-AAEUAGOBSA-N 341.433 0.744 70 20 ECID C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCO[C@H](CO)C1 159953320 KYGLCWOAFXOKPO-PVAVHDDUSA-N 333.432 0.910 70 20 ECID CC(C)(CS(C)(=O)=O)NC(=O)c1ccc(S(=O)(=O)F)cc1 864241181 MGZMQMILAIOKJS-UHFFFAOYSA-N 337.394 0.898 70 20 ECID NC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccccn1 864240824 CNRWVXOXQMNHEJ-GFCCVEGCSA-N 337.332 0.696 70 20 ECID CC[C@H](CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1)OC 950561407 CBJDEXJPONXCNP-LLVKDONJSA-N 347.412 0.856 70 20 ECID O=C(NCC1CCS(=O)(=O)CC1)c1cc(S(=O)(=O)F)c[nH]1 1346928957 KMNUCUBSFBLQGF-UHFFFAOYSA-N 338.382 0.228 70 20 ECID CCOc1ccccc1N(C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 159388554 ZJVUVCGFYFKRQN-UHFFFAOYSA-N 346.387 0.384 70 20 ECID CC#CCN1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808813 OLMBKLZDARKIFH-LLVKDONJSA-N 327.381 0.748 70 20 ECID C[C@@H]1CCN(CCCO)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 968333936 CANGDDMPRDTZNM-MFKMUULPSA-N 347.412 0.496 70 20 ECID COCCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1179549751 JBNORZHKYACEOV-ONGXEEELSA-N 333.385 0.512 70 20 ECID O=C(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N=c1cc[nH]cc1 1346290151 CCKHECMDGJQHAK-UHFFFAOYSA-N 340.336 0.248 70 20 ECID O=C(Cc1ccccc1F)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1346341157 NNNGQIMCRQRRHK-UHFFFAOYSA-N 343.311 0.816 70 20 ECID O=C(O)[C@H]1CC(F)(F)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1602211101 COTWNWSSGPBTST-SSDOTTSWSA-N 326.252 0.607 70 20 ECID Cc1cc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)ncn1 161340019 OXJBOOTYYAAVOT-UHFFFAOYSA-N 331.420 0.555 70 20 ECID Cn1nccc1NC(=O)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 160404305 NZZKNFPEFVESKT-LLVKDONJSA-N 343.391 0.760 70 20 ECID CC[C@H](C)[C@H](O)CNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 160563450 GVGSGCDIPIBURG-QJPTWQEYSA-N 325.413 0.446 70 20 ECID Cc1ccc(NC(=O)CN2CCOCC2=O)cc1S(=O)(=O)F 857674030 OVUBQVWXGJWVED-UHFFFAOYSA-N 330.337 0.451 70 20 ECID Cc1nc2n(n1)C[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)CC2 1121032116 KIRAEENKFBPZFH-LLVKDONJSA-N 338.364 0.990 70 20 ECID COC[C@H](C)N1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961789266 MNBAYUYDEHCYAP-LSJOCFKGSA-N 345.396 0.368 70 20 ECID Cc1nnsc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133981226 KTKVMVPZMKVEPL-UHFFFAOYSA-N 347.397 0.352 70 20 ECID COC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CC1CC1 1346848551 JDBNKMYBQADHAK-SECBINFHSA-N 332.353 0.992 70 20 ECID CN(C)C[C@@](C)(O)CNS(=O)(=O)Cc1cccc2cccnc12 161459139 SAYKNQFHIZEVNN-INIZCTEOSA-N 337.445 0.967 70 20 ECID CN(C)C(=O)Cc1ccc(NCC(=O)NCC(=O)NC(C)(C)C)cc1 161486302 ZBRFHBBTFCFGNJ-UHFFFAOYSA-N 348.447 0.760 70 20 ECID CCN(C1CCN(C(=O)[C@H](N)c2ccccc2)CC1)S(C)(=O)=O 159531195 NBXMQTFMOUBOOK-OAHLLOKOSA-N 339.461 0.959 70 20 ECID Cc1cc(NC(=O)CCN2CCC(N3CCC[C@@H]3C(N)=O)CC2)no1 159381100 FQXZMHBHUDPDDQ-CQSZACIVSA-N 349.435 0.726 70 20 ECID CN(C)C1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOCC1 1123616487 KGSBRPXBXICCRS-UHFFFAOYSA-N 333.385 0.514 70 20 ECID C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 973831289 GHHOQEPQKHIJIS-REIXXSIJSA-N 343.380 0.706 70 20 ECID CO[C@@H](C)CN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1179549973 ONWXHTHGLAFUJE-NHCYSSNCSA-N 347.412 0.900 70 20 ECID Cn1nnc2c1CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1338066496 BEECCNHFXJOXSF-SSDOTTSWSA-N 327.341 0.089 70 20 ECID O=C(N[C@@H]1CCOC12CCOCC2)c1cc(S(=O)(=O)F)c[nH]1 1347755269 MDEUNZBFOAQCRJ-LLVKDONJSA-N 332.353 0.741 70 20 ECID C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccnc2)CC1 161462084 SFAZRQXWPAMLAM-ZDUSSCGKSA-N 327.450 0.795 70 20 ECID C#CCN1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@@H]21 1036822988 AMRJXFAAPYDNKS-FZMZJTMJSA-N 339.392 0.843 70 20 ECID CC(=O)N1CCC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 963616578 UFVCAWZJZMHJNH-GXFFZTMASA-N 343.380 0.756 70 20 ECID CS(=O)(=O)C1(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)CC1 1339013445 IGXYFQBBMZZGGR-UHFFFAOYSA-N 349.405 0.581 70 20 ECID C[C@@]1(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)CCC(=O)N1 1340758481 GBZCJZXNHRIVMO-AWEZNQCLSA-N 328.365 0.672 70 20 ECID CCS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2CCN(C)C2)cc1 161309031 LUWDYFBBDWDVAJ-CQSZACIVSA-N 339.461 0.807 70 20 ECID CC(C)c1cc(=O)n(CC(=O)N2CCN(C(=O)C3CC3)CC2)cn1 160878445 YCILJDBKUVRYPM-UHFFFAOYSA-N 332.404 0.448 70 20 ECID CCN(C(=O)Cn1cnc(C(C)C)cc1=O)[C@H]1CCS(=O)(=O)C1 160897981 IYWDYJYWCJOUKG-LBPRGKRZSA-N 341.433 0.402 70 20 ECID C[C@@H](CNc1ncccn1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1108702613 SHYXBHXUDPLCMT-QMMMGPOBSA-N 327.341 0.693 70 20 ECID CNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1 864242027 SQKSVTGTSWBGTA-AWEZNQCLSA-N 328.365 0.943 70 20 ECID CCCN1CCOC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051117001 QGBGUXKGQQHFEX-SNVBAGLBSA-N 333.385 0.514 70 20 ECID O=C(N[C@H]1CCCN(CCCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1052716504 NTLXDJGKWYBORY-NSHDSACASA-N 347.412 0.640 70 20 ECID N#CCN[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C12CCC2 1078728319 GTDLEGCLRKJDLM-NEPJUHHUSA-N 340.380 0.827 70 20 ECID CNC(=O)c1c(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n[nH]c1C 1340628659 BHKLHODPEIVJKK-UHFFFAOYSA-N 329.313 0.316 70 20 ECID COc1cc(C(=O)N2[C@H]3CC[C@H]2CNC3)ccc1S(=O)(=O)F 1579139106 LNLHYXHMBWTHEJ-QWRGUYRKSA-N 328.365 0.930 70 20 ECID COc1cc(C(=O)N[C@]2(C(=O)O)CCOC2)ccc1S(=O)(=O)F 1594050929 RYKRYDADMXDBFF-CYBMUJFWSA-N 347.320 0.327 70 20 ECID CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 274596341 JEFGOBSBVSEHNK-QMMMGPOBSA-N 338.382 0.700 70 20 ECID CC(=O)NC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1C 1018642368 YWJRENUHVRLXFK-ONGXEEELSA-N 345.396 0.907 70 20 ECID Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)c(=O)n1C 857673245 WUSLJJGQIXOUOW-UHFFFAOYSA-N 346.315 0.326 70 20 ECID Cc1ccc(NC(=O)Cn2nc(C)n(C)c2=O)cc1S(=O)(=O)F 857673900 NMJBBSGKHADDIT-UHFFFAOYSA-N 342.352 0.496 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]2[C@@H]1CCN2CCO 1049726311 CXWSUBYWUFERFA-STQMWFEESA-N 345.396 0.344 70 20 ECID CCNC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1336962158 SBEMKPBIAWUQHN-MRVPVSSYSA-N 332.357 0.207 70 20 ECID COC1CCN(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1346929585 SBQWLIGEVXVXEU-UHFFFAOYSA-N 333.385 0.514 70 20 ECID COCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CN)cc1 160211102 JCDUACVJMTZENS-CYBMUJFWSA-N 326.418 0.670 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)CC2 159802514 ZVTZYVGABFVUBF-NEPJUHHUSA-N 337.424 0.996 70 20 ECID Cn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)cc21 159859971 LABPIQNRCXMBNQ-LLVKDONJSA-N 330.388 0.996 70 20 ECID CC[C@H]1CCC[C@@H]1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O 159525742 WRTRSBYKXQUZBE-WPRPVWTQSA-N 344.209 0.994 70 20 ECID CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H]1CCC[C@@H]1O 159725969 HLHPAHLLQAWNLL-WFASDCNBSA-N 328.434 0.806 70 20 ECID C[C@@H](NC(=O)C1CC1)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1005561616 BTHAYDBABMBBQO-MRVPVSSYSA-N 343.380 0.660 70 20 ECID C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)F)cc1 865210147 UTJURKQFXMKELP-UHFFFAOYSA-N 335.378 0.675 70 20 ECID CN(C(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H]1CCN2CCO[C@H]1C2 864242010 SCUZIYRKQWLECI-KGLIPLIRSA-N 342.392 0.890 70 20 ECID O=C(NC[C@@H]1CCN1C[C@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1038710842 RCVAXDWLTBMGDN-MNOVXSKESA-N 345.396 0.514 70 20 ECID CS(=O)(=O)C1(CNC(=O)c2cccc(S(=O)(=O)F)c2)CC1 1121186869 UXEMKLARMHOKGF-UHFFFAOYSA-N 335.378 0.652 70 20 ECID C[C@@H](O)CN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C 996307527 FESNCKCVVMXZRO-BXKDBHETSA-N 347.412 0.494 70 20 ECID COCCn1cc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1 1337488033 ZHVSKPOKOUSWBJ-UHFFFAOYSA-N 330.341 0.446 70 20 ECID Cc1noc([C@@H]2COCCN2C[C@H](O)CN2C[C@H](C)O[C@H](C)C2)n1 161041649 OBJWKQTZQOHYFJ-OSRDXIQISA-N 340.424 0.221 70 20 ECID COC[C@@H](O)CCNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 161041893 BAKZRQFWPGLZED-LBPRGKRZSA-N 339.783 0.507 70 20 ECID CN(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCS(=O)(=O)C1 161120217 JMLQIUFONIVFKA-XQHKEYJVSA-N 328.434 0.773 70 20 ECID NS(=O)(=O)CCNC(=O)Cc1cccc(OC(F)(F)F)c1 160076200 AJMVAVDFGPIRPH-UHFFFAOYSA-N 326.296 0.532 70 20 ECID Cc1c(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cnn1-c1ccccc1 160138859 BYKWPZXNXAIFEG-CQSZACIVSA-N 345.403 0.158 70 20 ECID C[C@@H]1CCC[C@@H](C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 160490130 HLXFOTIXNVJTDS-JHJVBQTASA-N 330.450 0.622 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1CCCN(C(N)=O)C1 159949340 VUIRZJIZCCOYCZ-CQSZACIVSA-N 340.468 0.594 70 20 ECID C[C@@H]1C(=O)NCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1887511932 AUVGSHZQJPJOKD-MRVPVSSYSA-N 331.325 0.025 70 20 ECID Cc1ccc(NC(=O)Cn2ncn(C)c2=O)cc1S(=O)(=O)F 857675495 PHCFIESCQRDORM-UHFFFAOYSA-N 328.325 0.187 70 20 ECID C[C@@H](C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCCO 1135489583 VWBXRHKXJGXHQT-UWVGGRQHSA-N 335.401 0.542 70 20 ECID C[C@@H](O)CNC1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999420771 JSEHCSAKTQGQOI-XNWIYYODSA-N 333.385 0.246 70 20 ECID CC(C)N1CC[C@@H](NC(=O)NC[C@@H](C)CN2CCOCC2)C1=O 160024939 GUWYQAFAYPISGD-ZIAGYGMSSA-N 326.441 0.263 70 20 ECID CCCNC(=O)CN1CCC(NC(=O)N2CCC[C@](C)(O)C2)CC1 160387447 CNHQCZDDTNKOPK-KRWDZBQOSA-N 340.468 0.533 70 20 ECID Cc1cc(N[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)nn1C 159626882 SFUWEZIVULFDAX-ZDUSSCGKSA-N 329.408 0.668 70 20 ECID C#CCN1CCO[C@](C)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1108220548 HMRZQSDYHIVXPK-CQSZACIVSA-N 343.380 0.127 70 20 ECID C[C@H]1C[C@@H]1C(=O)N(C)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 953621103 SNRXAMYERROCAM-KWQFWETISA-N 343.380 0.612 70 20 ECID O=S(=O)(F)CCN1CCn2ncc(I)c21 883954387 LFIKDWXJLSFRAE-UHFFFAOYSA-N 345.137 0.607 70 20 ECID CC(C)N1CC2(C[C@@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CO2)C1 1053927002 QQINGRYCDOQKPT-SNVBAGLBSA-N 345.396 0.654 70 20 ECID C[C@H](O)CN[C@H]1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1086478929 GUPUMCTUYPBWHU-GUBZILKMSA-N 333.385 0.152 70 20 ECID O=C(N[C@H](Cc1ccncc1)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1605728917 DVMNFCOWPFJYRU-LLVKDONJSA-N 341.320 0.494 70 20 ECID O=C(NC[C@H]1CCC2(CNC2)O1)c1ccc(S(=O)(=O)F)cc1 1580646080 SGWXIYIATPGJDT-LLVKDONJSA-N 328.365 0.596 70 20 ECID O=C(CNC(=O)c1cccnc1)NCCNC(=O)CC1CCCC1 160051003 MQEKPERIMFYFBT-UHFFFAOYSA-N 332.404 0.624 70 20 ECID CCn1cc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)cn1 159863577 SWZFXHJZAQFODV-UHFFFAOYSA-N 335.433 0.805 70 20 ECID CC(=O)N1CC[C@@]2(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CCC[C@@H]12 1014456776 IHFHGKOQITUWFD-OCCSQVGLSA-N 343.380 0.946 70 20 ECID CC(=O)N[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C12CCC2 1025846916 TXBOBDJDVMEJDN-VXGBXAGGSA-N 343.380 0.850 70 20 ECID CC#CCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141823 RNPRBCAWIDPVKI-LLVKDONJSA-N 327.381 0.890 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCN(CCCO)C1 1033952729 CVJQBYPKXKGXRU-LLVKDONJSA-N 347.412 0.592 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H](c2nnc(O)o2)C1 1123727227 JEYIPNZQEQUACC-ZETCQYMHSA-N 344.324 0.781 70 20 ECID C[C@@H](C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CC1 999950884 AZXYHQSDLKQUPI-MRVPVSSYSA-N 343.380 0.660 70 20 ECID CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCC[C@@H](N)C2)c1 161346580 IYYCONZFMSAZIB-NEPJUHHUSA-N 325.434 0.903 70 20 ECID Cc1cc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)ncn1 161366233 BNHSKQKVVJJLOZ-UHFFFAOYSA-N 334.401 0.965 70 20 ECID Cc1ccc([C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)N2CCOCC2)o1 160232317 QVOGXJGSCONSGB-ZIAGYGMSSA-N 335.404 0.604 70 20 ECID Cc1cc(CN2CCN(C(=O)C(=O)Nc3nocc3C)CC2)on1 160356505 JAFJRIAYWKYWGV-UHFFFAOYSA-N 333.348 0.562 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H](COC)C1)CC2 160688012 HBHDILMKHWVIRJ-OLZOCXBDSA-N 337.424 0.807 70 20 ECID C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1003642942 IUVGSWBAPDKKAL-UHFFFAOYSA-N 327.381 0.890 70 20 ECID N#CCN1CC2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C1 1035797541 CTAUGZUUEPRQBA-UHFFFAOYSA-N 340.380 0.734 70 20 ECID O=c1c(I)cccn1CCS(=O)(=O)F 883953614 CEJBZIQXHBIDJX-UHFFFAOYSA-N 331.106 0.752 70 20 ECID CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cn1 161466378 IOPYFLWQGJXJOW-CYBMUJFWSA-N 347.419 0.749 70 20 ECID CC(C)[C@@H](CCO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 160566682 ZLMNEVBOYLPUBU-GXTWGEPZSA-N 332.404 0.848 70 20 ECID CCN1CCN(CC(=O)NCCNC2CCCCCC2)C(=O)C1=O 159690878 SNUKJLOOHLPZJD-UHFFFAOYSA-N 338.452 0.106 70 20 ECID CN(C)CCN1C[C@@H](C(=O)NC[C@@H](O)c2ccsc2)CC1=O 159515964 NXNHQOVPXIJHBY-QWHCGFSZSA-N 325.434 0.308 70 20 ECID CCOCCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1179549511 BUMBGKRPUYBAJG-JQWIXIFHSA-N 347.412 0.902 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@](C)(O)c1ccco1)CC2 160650238 AIDUPFCJKGXMBL-ZBEGNZNMSA-N 349.391 0.539 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](CO)c1ccccc1)CC2 160711306 YNBCPVQIUJWPMT-KGLIPLIRSA-N 345.403 0.772 70 20 ECID CN(C)C(=O)Cn1cc(C(=O)N2CCc3c(F)cccc3C2)nn1 160947334 IQMZYRAJPOYWNJ-UHFFFAOYSA-N 331.351 0.704 70 20 ECID Cn1cc(O[C@H]2CN(c3ccc(S(=O)(=O)F)cn3)C[C@H]2O)cn1 1550632144 DBTIRSNBZFPGHB-NEPJUHHUSA-N 342.352 0.102 70 20 ECID CCS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@@H](O)C2)cc1 160114642 MSPIIDXVMCNJKI-CQSZACIVSA-N 326.418 0.723 70 20 ECID O=C(NCCc1cn2c(n1)CCCC2)NC[C@@H]1CCCS1(=O)=O 159783550 SPEQDQZITKBHFP-ZDUSSCGKSA-N 340.449 0.638 70 20 ECID COCCCCNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166880206 VLVDTCZMEMBJPP-UHFFFAOYSA-N 335.401 0.809 70 20 ECID CCC[C@]1(C)C(=O)NCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346641955 ORNZUDULOPJWPV-CYBMUJFWSA-N 331.369 0.804 70 20 ECID O=C(O)[C@@H]1COCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1594957928 VJXPOAGGATUPKI-NSHDSACASA-N 331.321 0.199 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 161044352 YGQQVCSIKHJJMU-ZYHUDNBSSA-N 342.342 0.831 70 20 ECID C[C@H]1NC(C(=O)N2CCOC[C@H]2C2CC2)=NN(c2ccccc2)C1=O 161256461 JCRUNOQRXZKJHU-DOMZBBRYSA-N 342.399 0.962 70 20 ECID CNS(=O)(=O)c1cc(C(=O)NC[C@H](O)c2cccc(C)c2)co1 160036901 KBRZQMQTBHMXPY-ZDUSSCGKSA-N 338.385 0.960 70 20 ECID Cn1cnnc1CN1CCN(Cc2nc(N)c3ccccc3n2)CC1 160737949 AEPOIHVPVLONBZ-UHFFFAOYSA-N 338.419 0.658 70 20 ECID CN[C@@H]1CCN(C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)C1 160769346 BUJIQZFJLJPUJK-CQSZACIVSA-N 348.447 0.424 70 20 ECID C[C@@H](O)CN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008546079 GHKJPGPFKMLYOU-ZJUUUORDSA-N 333.385 0.248 70 20 ECID C[C@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1014071855 LVNCICJYUGUYAY-WCBMZHEXSA-N 343.380 0.802 70 20 ECID O=C(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC1CCCCC1 1338250290 IUMBDOCGBCLQEJ-UHFFFAOYSA-N 331.369 0.852 70 20 ECID COCCC1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 161387284 UBEYHJCTUDFSLH-AWEZNQCLSA-N 325.453 0.862 70 20 ECID CCc1nc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n[nH]1 460094804 TUEHSHLUURRWOK-UHFFFAOYSA-N 334.354 0.826 70 20 ECID C[C@@H](CNc1nccnc1F)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1108715619 MKVSQGOWZQLGNC-ZETCQYMHSA-N 345.331 0.832 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCN(CCCO)C1 1033430389 RIQLMNDUPVZHDF-SNVBAGLBSA-N 333.385 0.202 70 20 ECID N#CCN1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1076256100 JPZWIVQBIKTTIE-JOYOIKCWSA-N 326.353 0.343 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)CN1CCCCC1=O 160290810 OGFZRFBWADVEKB-UHFFFAOYSA-N 325.453 0.816 70 20 ECID CCN(C(=O)[C@@H](C)Nc1cc(C)n(C)n1)[C@@H]1CCS(=O)(=O)C1 159629114 CHLVIPQIBRPSQW-VXGBXAGGSA-N 328.438 0.565 70 20 ECID C[C@H](C(=O)NC(=O)NCC(F)(F)F)N(C)C[C@@H]1CCC[C@@H]1O 159824734 RWFYUIQTXYEJLB-UTLUCORTSA-N 325.331 0.856 70 20 ECID CCCN(C(=O)[C@@H](C)Nc1cc(C)n(C)n1)[C@H]1CCS(=O)(=O)C1 159591810 UVRKNHQRXURFOB-OLZOCXBDSA-N 342.465 0.955 70 20 ECID CC(=O)NC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1020812741 NKUCTERZADPHRZ-MWLCHTKSSA-N 345.396 0.907 70 20 ECID CO[C@@H](C)CN1CC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085820374 YBWKEOQPFKLUOF-QWRGUYRKSA-N 347.412 0.854 70 20 ECID CC(=O)N[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 983395113 LYBOFFLTKOVOMN-UWVGGRQHSA-N 331.369 0.850 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nnc2n1CCC2 1346040518 IEGAFFIHDUBDQI-ZETCQYMHSA-N 327.341 0.702 70 20 ECID Cc1ccc([C@H](CNC(=O)C2(NC(N)=O)CC2)N2CCOCC2)cc1 161377440 VGVZTEUCAUDQKA-HNNXBMFYSA-N 346.431 0.685 70 20 ECID NS(=O)(=O)N1CCC(C(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)CC1 161455862 IGIHFHBXTRIXSG-XHSDSOJGSA-N 349.456 0.604 70 20 ECID CCC(O)(CC)CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 160216184 JIBDKODCJRSMIV-UHFFFAOYSA-N 326.418 0.802 70 20 ECID Cc1noc(C)c1CC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 160714950 LJQQWDBRSKAVNO-DGCLKSJQSA-N 329.422 0.668 70 20 ECID Cc1cccc2c(=O)n(CCC(=O)N3CCCC[C@H]3C(N)=O)cnc12 159640059 BGTHCFTZEIRKBJ-AWEZNQCLSA-N 342.399 0.961 70 20 ECID C[C@@H](CS(C)(=O)=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 159745187 UYVXYRKFFCUIEV-ZDUSSCGKSA-N 334.482 0.484 70 20 ECID NS(=O)(=O)c1ccc(S(=O)(=O)N2[C@H]3C=CC[C@H]2CC3)cc1 218763993 WCZLCOXGXRAOKC-QWRGUYRKSA-N 328.415 0.816 70 20 ECID C[C@@H](O)CN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008546076 GHKJPGPFKMLYOU-NXEZZACHSA-N 333.385 0.248 70 20 ECID COC[C@@H](C)N1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1003642983 JMDDOCCJYQYJDE-SNVBAGLBSA-N 347.412 0.902 70 20 ECID CC(C)C(=O)N1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1013806124 FBRAVOCRXFIKGC-NXEZZACHSA-N 343.380 0.516 70 20 ECID CC(=O)N[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1014656865 ZWWBUHPAIFWSIE-GZMMTYOYSA-N 331.369 0.802 70 20 ECID O=C(NC[C@H]1[C@@H]2CN(CCCF)C[C@H]12)c1cc(S(=O)(=O)F)c[nH]1 978729665 ZCMSPGYYOZITFH-CNDDSTCGSA-N 347.387 0.940 70 20 ECID CC#CCN(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192396474 JFHOFRRQLRRJJC-LLVKDONJSA-N 327.381 0.843 70 20 ECID CC(C)(C)N1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O 1527566586 VTTGBENYWHNESY-MRVPVSSYSA-N 331.369 0.802 70 20 ECID Cc1ccc2c(c1)[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)CO2 160130395 MUCQFMVBXKYCCG-OCCSQVGLSA-N 338.429 0.664 70 20 ECID CN(Cc1cccn1C)C(=O)CCN1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 160413848 HVNBEJQQPNHQPH-DARAHFNDSA-N 345.399 0.536 70 20 ECID CNC(=O)CCNC(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1 160608538 OUNJCZPHSVRTPV-UHFFFAOYSA-N 343.387 0.680 70 20 ECID CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@@]1(C)CC 159483553 RPCNGGODOHDWGK-TYNCELHUSA-N 330.450 0.574 70 20 ECID CCCC(=O)NCCN(CCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1058863025 DKCYNVUYQGHROR-UHFFFAOYSA-N 349.384 0.024 70 20 ECID COC[C@@H](C)N1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008547462 NTHBNWTZRVXESC-GHMZBOCLSA-N 347.412 0.902 70 20 ECID O=C(O)[C@H]1COCCN1C(F)(F)COS(=O)(=O)C(F)(F)F 849343340 ILJURKNQYSQCPF-RXMQYKEDSA-N 343.226 0.231 70 20 ECID O=C(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC(F)(F)F 1337724777 FJJVTESMKPFZSD-UHFFFAOYSA-N 331.247 0.081 70 20 ECID Cc1ccc(C)n1-c1c(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cnn1C 161450201 JMNJHRVSYWCSKS-TZMCWYRMSA-N 345.403 0.590 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCc1cccnc1 160518500 QINNJAXSDNCMIM-UONOGXRCSA-N 325.434 0.848 70 20 ECID C#CCN1CCCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1034403661 JILHZMPNAKCQBL-NSHDSACASA-N 327.381 0.890 70 20 ECID C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942173568 ZWZBAJLQTMXIBS-NGZCFLSTSA-N 343.380 0.660 70 20 ECID CO[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942442514 QMMDUZPADNPSOT-DTWKUNHWSA-N 347.368 0.039 70 20 ECID O=C(NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1=CCCC1 990795487 CFHVLPGXSPMCHJ-UHFFFAOYSA-N 341.364 0.724 70 20 ECID C[C@H]1CO[C@H](C)CN1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1347256710 ROPCZBDBZWEWTK-VHSXEESVSA-N 333.385 0.512 70 20 ECID Cc1cc(C(=O)NC[C@H](O)CN2CCCCC2)c2cnn(C)c2n1 160037951 SXKUQFGXDHDDEH-ZDUSSCGKSA-N 331.420 0.853 70 20 ECID C[C@H](CO)CNC(=O)c1sccc1S(=O)(=O)N1CCCC1 160438360 DSSBNKWDQMFACJ-JTQLQIEISA-N 332.447 0.891 70 20 ECID CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H]3CCC[C@H](N)C3)ccc21 160933550 GBXQBDCBSONGHK-RYUDHWBXSA-N 330.388 0.709 70 20 ECID COCCCNC(=O)CN(C)[C@H](C)c1nnnn1-c1ccccc1 159478403 NXYWBJXRTRTQMY-CYBMUJFWSA-N 332.408 0.808 70 20 ECID O=C(N[C@H]1CCN(C[C@@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1015715802 GKRXODAHPNVYKP-QWRGUYRKSA-N 345.396 0.514 70 20 ECID COCCn1cc(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)nn1 857672678 GGHQDRLAZRSZBK-UHFFFAOYSA-N 346.315 0.974 70 20 ECID COc1c(C)cc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1C 161437437 LVSSMJSIYDAFOA-HNNXBMFYSA-N 330.450 0.903 70 20 ECID CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(CC(N)=O)CC(C)C)ccc21 159793161 NLPIMWXWVYKDMK-UHFFFAOYSA-N 346.387 0.293 70 20 ECID CN(C)CCN(C(=O)Nc1cccnc1)[C@H]1CCS(=O)(=O)C1 217264729 BFLUJDULQWOZEP-ZDUSSCGKSA-N 326.422 0.664 70 20 ECID N#CCN1CCC2(CC1)C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1016824708 CMGBGYROCDHTEG-LBPRGKRZSA-N 340.380 0.781 70 20 ECID CN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1cnc(F)cn1 1100330606 XXNAOJPAOXYOEL-UHFFFAOYSA-N 345.331 0.468 70 20 ECID O=C(NC1CN(CCOC2CCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030971983 FNFGDOWVTMJDEF-UHFFFAOYSA-N 345.396 0.656 70 20 ECID Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@@H](C)CO)cc1 160415733 XRZDQVHAXNTUNW-HIFRSBDPSA-N 340.445 0.893 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)COc1ccccc1 160537767 LBGHFFXWUVMWJG-OCCSQVGLSA-N 326.418 0.900 70 20 ECID C[C@@H]1CN(S(=O)(=O)N2CCC(Cn3ccnn3)CC2)[C@H](C)CO1 159486580 MHFGPHIGYKESFP-CHWSQXEVSA-N 343.453 0.344 70 20 ECID CN(C)[S@@](C)(=O)=NC(=O)c1cncc(OS(=O)(=O)F)c1 1887522547 PBPFEYIYLMSDEC-IBGZPJMESA-N 325.343 0.389 70 20 ECID CC(C)C(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 946716600 NEPGRIHFKOPPPK-AXTRIDKLSA-N 343.380 0.658 70 20 ECID CC(C)N1C[C@@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958412639 HHGHVPGOTVTMDB-BXKDBHETSA-N 333.385 0.104 70 20 ECID C=CCCN1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 961786343 GTNNINIEWCSPAK-GHMZBOCLSA-N 327.381 0.909 70 20 ECID Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N[C@H]1CCC[C@@H]1O 161070948 IQCFMALMLXJMES-KKUMJFAQSA-N 333.367 0.934 70 20 ECID Cn1ccc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n1 160411058 AXIQEHYOCOUOTI-LLVKDONJSA-N 343.391 0.760 70 20 ECID CC(=O)N[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)C1CCCC1 160622286 UYLVXYWIYFUXPO-CVEARBPZSA-N 325.453 0.644 70 20 ECID CCOC(=O)C[C@@H](C)NC(=O)CN1CCN(c2ccccn2)CC1 160851646 SUGHXSYGHDOKGQ-CQSZACIVSA-N 334.420 0.662 70 20 ECID COC[C@H](O)CNC(=O)CCCNC(=O)c1ccc(F)cc1F 159516979 OXBQVMYYUXPPGY-LLVKDONJSA-N 330.331 0.598 70 20 ECID C#CCN1C[C@H]2C[C@@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]1C2 1047147451 XVPBDQKNMDPBAR-QJPTWQEYSA-N 339.392 0.889 70 20 ECID CCNC(=O)C(C)(C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1354993646 FSSPVZVSOADHNG-UHFFFAOYSA-N 330.381 0.918 70 20 ECID CN(C)CC(=O)N1CCN(C(=O)c2ccnc(-n3cccn3)c2)CC1 159683117 MRZNJDZOGMIUHQ-UHFFFAOYSA-N 342.403 0.113 70 20 ECID COc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)ncn1 460088148 BOFWPDBMCXKWTC-UHFFFAOYSA-N 347.349 0.944 70 20 ECID CCCC(=O)N1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 1013808632 XFBFICPTMDSKKS-UWVGGRQHSA-N 343.380 0.660 70 20 ECID COCCCCN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1113353633 MWIQISWCDILOKL-UHFFFAOYSA-N 347.412 0.857 70 20 ECID C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 972924050 GHHOQEPQKHIJIS-FTYOSLGDSA-N 343.380 0.706 70 20 ECID Cc1oncc1CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166871691 OEQVZWZAJQUHOU-UHFFFAOYSA-N 344.368 0.879 70 20 ECID CNC(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1 1336413764 QFDSHMIKNMXBGE-UHFFFAOYSA-N 339.348 0.963 70 20 ECID C[C@H](O)c1cn(C2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)nn1 1348036273 WGLWICVHPIAUDI-ZETCQYMHSA-N 343.340 0.015 70 20 ECID CN(C)CCN1C[C@H](C(=O)NC[C@H](O)c2ccsc2)CC1=O 159515592 NXNHQOVPXIJHBY-OLZOCXBDSA-N 325.434 0.308 70 20 ECID CC(=O)N1CCCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1019674331 HFKJEGJULOXVHR-SNVBAGLBSA-N 347.368 0.040 70 20 ECID C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938851060 TWMTWAPFNCNYEK-QXEWZRGKSA-N 343.380 0.660 70 20 ECID N#CCN1C[C@H]2C[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]1C2 1047147139 UQVGWWNRPNCQOI-GARJFASQSA-N 340.380 0.779 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@]2(CCOC2)O1 1121094730 KJMLVNZHOVJTFR-NOZJJQNGSA-N 332.353 0.693 70 20 ECID O=C1N[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@@H]2CO1 1521438942 VEDYUTSPFLUJKU-XCBNKYQSSA-N 331.325 0.243 70 20 ECID O=C(CN1CCNCC1=O)NCCc1ccn(-c2ccc(F)cc2)n1 161307375 LTPWJFAHTHCDRE-UHFFFAOYSA-N 345.378 0.102 70 20 ECID CCN1CCN([C@H]2CCN(C(=O)N[C@H]3CCN(CC4CC4)C3)C2)CC1 160733750 KYQWRXGLTHODFZ-ROUUACIJSA-N 349.523 0.892 70 20 ECID CCOCCS(=O)(=O)N1CCN(Cc2cccc(O)c2)CC1 160778891 AKLXOQKNLCNUMB-UHFFFAOYSA-N 328.434 0.876 70 20 ECID CC(=O)NCCc1ccc(S(=O)(=O)N2CCC[C@H]2CO)s1 159851899 LWIDISZMKQOLTO-NSHDSACASA-N 332.447 0.572 70 20 ECID CN(C)C(=O)N1CCN(C(=O)c2ccnc(-n3cccn3)c2)CC1 159702919 AQKGHAASIVYHSN-UHFFFAOYSA-N 328.376 0.707 70 20 ECID CCN1CCCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 159541787 DZCOQOLYSGTMMC-UHFFFAOYSA-N 346.478 0.633 70 20 ECID CCC(=O)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1012107292 HPAMKOVWVLWPEI-IUCAKERBSA-N 331.369 0.802 70 20 ECID Cc1ccc(NC(=O)COCc2nncn2C)cc1S(=O)(=O)F 857674418 XFDOPHYHJIJICA-UHFFFAOYSA-N 342.352 0.937 70 20 ECID C[C@H](O)CN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033430546 WHXUURPTYGUZJC-VHSXEESVSA-N 333.385 0.200 70 20 ECID CC(=O)N1CC[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 953447289 ZGALTXJVBPJYMD-ZWNOBZJWSA-N 343.380 0.756 70 20 ECID C#CCCN1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961786159 FQVLYZJWNVLZHS-PJXYFTJBSA-N 325.365 0.356 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)NCc1ccco1 1336953287 PHLVZXQQUQKWTK-QMMMGPOBSA-N 343.336 0.701 70 20 ECID C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263761066 RACSCDUOKDFVDV-JTQLQIEISA-N 347.412 0.590 70 20 ECID C[C@](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)(C(N)=O)c1ccccc1 1348706781 FQUMWXFDIFFCHK-CQSZACIVSA-N 339.348 0.803 70 20 ECID CCOCC(=O)N[C@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1755949901 QGYZIUVEVPEDAH-BDAKNGLRSA-N 349.384 0.332 70 20 ECID CC(C)NC(=O)CN1CCN(CC(=O)NOCc2ccccc2)CC1 161138286 VGCCZIKUOMIXNV-UHFFFAOYSA-N 348.447 0.377 70 20 ECID Cn1ccnc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1 161190215 WRSBCKIQVJDOHL-UHFFFAOYSA-N 333.413 0.920 70 20 ECID CCc1cc(O)nc(CN2CCN(CC(=O)N(CC)CC)CC2)n1 160599879 XHBCSBWMCPDRTJ-UHFFFAOYSA-N 335.452 0.731 70 20 ECID CCC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 959303814 YYQBRGRYKISTHW-NXEZZACHSA-N 345.396 0.907 70 20 ECID O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1cc(S(=O)(=O)F)c[nH]1 1121185495 RGFFOPPFVAGVFN-LDYMZIIASA-N 329.353 0.556 70 20 ECID C=CC(C)(C)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999955040 KQHQXBWHGOFBAZ-UHFFFAOYSA-N 343.380 0.826 70 20 ECID CNS(=O)(=O)[C@H]1CCN(C(=O)C(F)(F)c2ccc(OC)cc2)C1 161266284 ISTPTPRDTYROAE-LBPRGKRZSA-N 348.371 0.937 70 20 ECID CN(CC(=O)N1CC[C@@H](N)C1)C(=O)c1ccc(Br)o1 160184870 BACZWKVSEWXOBI-MRVPVSSYSA-N 330.182 0.674 70 20 ECID Cc1ccc([C@@H](CNC(=O)[C@H]2CCNC(=O)C2)N2CCOCC2)o1 160232602 QVOGXJGSCONSGB-UONOGXRCSA-N 335.404 0.604 70 20 ECID CC(=O)NCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 160912575 KIGGSVFCDOZGHJ-CYBMUJFWSA-N 338.795 0.881 70 20 ECID C[C@@]1(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CCNC1 160977393 GLVBBOHDKSPQSB-RDTXWAMCSA-N 331.416 0.782 70 20 ECID C#CCCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033429423 HWMNDSMFPLGDHQ-LLVKDONJSA-N 327.381 0.843 70 20 ECID O=C(O)[C@@H]1COCCN1C(F)(F)COS(=O)(=O)C(F)(F)F 849343341 ILJURKNQYSQCPF-YFKPBYRVSA-N 343.226 0.231 70 20 ECID O=C(CCc1ccc(S(=O)(=O)F)cc1)N[C@@H]1CCS(=O)(=O)C1 1120913961 GIWBDYSTWGUCRT-LLVKDONJSA-N 349.405 0.581 70 20 ECID CC(C)=CC(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952162746 GUICAISBGQTDSQ-SNVBAGLBSA-N 343.380 0.970 70 20 ECID CC#CCN[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209678905 OHGZHIRSONOGMP-LLVKDONJSA-N 327.381 0.890 70 20 ECID CC(=O)N1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 975550122 WHWNAOXYOAUIIP-JTQLQIEISA-N 331.369 0.661 70 20 ECID Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H](CO)CC(C)C 161017652 XBFYBVUFSMWMLY-LLVKDONJSA-N 332.422 0.975 70 20 ECID Cc1c(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)cnn1-c1ccccc1 161330823 OVUDIUIFSOMVMR-ZDUSSCGKSA-N 341.371 0.466 70 20 ECID CCS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@H](O)C2)cc1 160114503 MSPIIDXVMCNJKI-AWEZNQCLSA-N 326.418 0.723 70 20 ECID Cn1c(=O)ccn(CC(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1=O 160600429 SPCDHWDFDWWQNO-CYBMUJFWSA-N 335.404 0.545 70 20 ECID C[C@@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)N1C(=O)CCC1=O 460096669 YLAZSPJYKWDBNT-QMMMGPOBSA-N 328.321 0.821 70 20 ECID C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CNc1ncccn1 1104214700 UUBUHWKDDZSNEW-SECBINFHSA-N 341.368 0.941 70 20 ECID C/C=C(/C)C(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942442332 MEBUOBBAIWVGPA-KSXVILFYSA-N 343.380 0.970 70 20 ECID O=C(O)[C@@H]1CC12CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1601773375 CCMQABJUKXOWGO-VIFPVBQESA-N 330.337 1.000 70 20 ECID CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@H](CO)CC(C)C)CC1=O 161088562 NETDAZIZPVPNRF-PMPSAXMXSA-N 339.480 0.842 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 161201639 UGYSSUKXPUARTO-CVEARBPZSA-N 334.416 1.000 70 20 ECID Cc1ccc(-n2ccnc2)c(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1 160987650 BAGYFMJBRFDXLH-IUODEOHRSA-N 328.372 0.943 70 20 ECID O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(Br)n[nH]1 2088603901 YFGHOPQCVBSTQX-RXMQYKEDSA-N 341.162 0.191 70 20 ECID C[C@@H](O)CN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033430544 WHXUURPTYGUZJC-NXEZZACHSA-N 333.385 0.200 70 20 ECID C[C@H]1CCN(CC#N)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 968336845 XWJDIVAASMUKOF-JOYOIKCWSA-N 328.369 0.637 70 20 ECID CCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090576233 KXQVBKOAMVNWQZ-JQWIXIFHSA-N 333.385 0.248 70 20 ECID O=C(NC[C@@H]1CCCS1(=O)=O)c1cccc(S(=O)(=O)F)c1 1338066682 CVGGVOFSLIRNFN-NSHDSACASA-N 335.378 0.652 70 20 ECID CN(C)C(=O)[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1 1262787663 DZTXKLBEPUUVJI-LLVKDONJSA-N 328.365 0.895 70 20 ECID CCOC[C@H](C(=O)O)N(C)C(=O)c1cccc(S(=O)(=O)F)c1 1596877832 AQYZOFWSCNTMIL-LLVKDONJSA-N 333.337 0.907 70 20 ECID Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@@H](C2CC2)N(C)C)c1 161213874 MMNBPAALLIAWMZ-ZDUSSCGKSA-N 325.434 0.712 70 20 ECID COc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)c(C)c1C 161486267 OEPHQQMODQFMLE-HNNXBMFYSA-N 330.450 0.903 70 20 ECID CC(C)C[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccccc1 160930909 INSAEZQSNGLVSI-CYBMUJFWSA-N 328.434 0.878 70 20 ECID CC(=O)N1CCCC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1010868684 VXSMNXQGCKJENV-UHFFFAOYSA-N 343.380 0.757 70 20 ECID CC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1009761405 VMKJAQFQDWPZLK-UFBFGSQYSA-N 347.368 0.039 70 20 ECID COCCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008546561 JMVONDKZJBXACY-SNVBAGLBSA-N 333.385 0.514 70 20 ECID O=C(NCCC(=O)N1CCOCC1)c1ccc(S(=O)(=O)F)cc1 864238660 PNIXYJLLFJPHEF-UHFFFAOYSA-N 344.364 0.324 70 20 ECID CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1082143900 LCQYKFLGDCKFJD-VXGBXAGGSA-N 333.385 0.510 70 20 ECID CO[C@@H]1CN(CC(C)C)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1082143892 KLLFXMXZJYKBFV-CHWSQXEVSA-N 347.412 0.758 70 20 ECID CCCCNC(=O)NC(=O)CN1CCN(Cc2ccncc2)CC1 161219084 DUXHYPLIEFWTHD-UHFFFAOYSA-N 333.436 0.825 70 20 ECID Cc1ccccc1S(=O)(=O)N(CCOCCO)CCN(C)C 161303171 AGTQVSACUCWHJQ-UHFFFAOYSA-N 330.450 0.556 70 20 ECID CNC(=O)c1cc(C)ccc1NCC(=O)NCC(=O)NC(C)(C)C 161493200 NJFQUSMUGLZJJX-UHFFFAOYSA-N 334.420 0.797 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCCC2 160684205 JTZQSGPWMLOPLQ-CMPLNLGQSA-N 340.449 0.736 70 20 ECID CN[C@H]1CCN(C(=O)CCc2c(C)nc3c(c2C)c(=O)[nH]n3C)C1 160754066 PWXWXECPZHWKTQ-LBPRGKRZSA-N 331.420 0.631 70 20 ECID O=C(NCCCc1nc(=O)[nH][nH]1)c1ccncc1Br 159843774 YCWFLEUQJYQHJF-UHFFFAOYSA-N 326.154 0.618 70 20 ECID CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](C)C[C@H](C)C1 159679814 BXOMLIGXKUBCEL-NEPJUHHUSA-N 326.484 0.624 70 20 ECID CN1CCC[C@@H]2CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC[C@@H]21 159484708 QFFCZSIAEYHTMW-HZSPNIEDSA-N 345.509 0.893 70 20 ECID O=C1CO[C@H]2CCN(Cc3ccc(OS(=O)(=O)F)cc3)C[C@H]2N1 2088595018 OTFJSEVGXKEDOF-OLZOCXBDSA-N 344.364 0.369 70 20 ECID C[C@H]1CN(CCO)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 942859666 ONNWGYVZZGHKFT-ONGXEEELSA-N 333.385 0.105 70 20 ECID C[C@@H](C(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1)S(C)(=O)=O 876318124 MSXHYWGRAIMSKU-ZETCQYMHSA-N 341.357 0.997 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@]2(CCN(CCO)C2)C1 1041693074 PWLFFMWAIGEWMT-AWEZNQCLSA-N 345.396 0.203 70 20 ECID C[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H]1CN(C)CCO1 889637583 ZUACTUUYUZHLIG-GWCFXTLKSA-N 330.381 0.794 70 20 ECID CC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 983395117 LYBOFFLTKOVOMN-ZJUUUORDSA-N 331.369 0.850 70 20 ECID CNS(=O)(=O)c1ccc(CCC(=O)NC[C@H](C)CCO)cc1 161043861 OZQXGXVTYQGLAA-GFCCVEGCSA-N 328.434 0.662 70 20 ECID C[C@H](O)C(=O)N1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1 161309053 YCDTUUYSHZAGDN-AWEZNQCLSA-N 339.480 0.796 70 20 ECID O=C(CO)N1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)CC1 161475850 DOOJOGDIDVSGCL-UHFFFAOYSA-N 329.360 0.541 70 20 ECID CN[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 160516142 HZMBIYFDUXGINP-NSHDSACASA-N 343.474 0.967 70 20 ECID CC(C)C(=O)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 940341008 ACPPYQWVRXMLLP-BXKDBHETSA-N 345.396 0.906 70 20 ECID CN1CCC(C#N)(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)CC1 1340593551 ISLBUOATLNGUNZ-UHFFFAOYSA-N 339.392 0.991 70 20 ECID C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)CN(C)S(C)(=O)=O 161197923 HAYLQNFZRDBMGT-JTQLQIEISA-N 330.381 0.795 70 20 ECID CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 160483623 YYKAUGGCJULNOP-MELADBBJSA-N 331.482 0.695 70 20 ECID O=C(NCCc1cscn1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 159490230 OAHWQKAVZIKMMV-ZDUSSCGKSA-N 338.433 0.718 70 20 ECID C[C@H](O)CN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008546077 GHKJPGPFKMLYOU-UWVGGRQHSA-N 333.385 0.248 70 20 ECID O=C(NC[C@H]1CCCS(=O)(=O)C1)c1ccc(S(=O)(=O)F)cc1 864242117 VTZINNNJXNHUIA-SNVBAGLBSA-N 349.405 0.899 70 20 ECID COCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 947726854 TXKAFHKYMKIMNM-WDEREUQCSA-N 347.412 0.902 70 20 ECID CC#CCN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1215571380 MKNLUJGIAWHMME-ZWNOBZJWSA-N 327.381 0.746 70 20 ECID CCn1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)NC2CC2)C1 161289132 MEDLPOQESRWDSM-NWDGAFQWSA-N 334.424 0.854 70 20 ECID NS(=O)(=O)N1CCN(C(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)CC1 160494828 ZURIULXMACTPGM-HGWMRPEMSA-N 345.440 0.643 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)C1 159609333 HAOXTVWJQFEWEP-CABCVRRESA-N 332.404 0.832 70 20 ECID N[C@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)NCC1CCC1 159671546 UVSNHMYDZUJADA-OAHLLOKOSA-N 339.461 0.392 70 20 ECID C[C@@H]1CN(C(=O)COC(=O)c2cccc(S(=O)(=O)F)c2)CCO1 1119683399 NVEDGLDXZWCALW-SNVBAGLBSA-N 345.348 0.749 70 20 ECID CCOCC(=O)NCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1075489579 RQHKIKXQNUAWJP-VIFPVBQESA-N 349.384 0.334 70 20 ECID C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1cc(F)ncn1 1098288655 SEDMPJIOHKUVDG-SSDOTTSWSA-N 345.331 0.832 70 20 ECID Cn1cnnc1CN1CCCN(S(=O)(=O)c2ccccc2)CC1 160840582 JLBWNVNMYAPODR-UHFFFAOYSA-N 335.433 0.712 70 20 ECID C[C@H](C(=O)N(C)CC(=O)N1CCC(NCC2CC2)CC1)n1cccn1 159858230 AAMCKLQTBAHUFP-CQSZACIVSA-N 347.463 0.893 70 20 ECID CCC(=O)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1053463365 YWTZINAWBYWEOA-VHSXEESVSA-N 345.396 0.907 70 20 ECID O=S(=O)(F)c1ccc(S(=O)(=O)NNc2ncccn2)cc1 490536318 HZCZZQBQTAXFBC-UHFFFAOYSA-N 332.338 0.440 70 20 ECID C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004486696 BVKJDZMQXMKRBZ-MRVPVSSYSA-N 342.352 0.021 70 20 ECID N#CCN1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1023590758 FPRYTWGHFYUVBZ-SNVBAGLBSA-N 328.369 0.638 70 20 ECID CCNC(=O)N1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1 864242952 UXBYAZUAGCDHQX-LLVKDONJSA-N 343.380 0.878 70 20 ECID CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123741640 AXFWKQWTPDKNEX-LLVKDONJSA-N 331.369 0.660 70 20 ECID C#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 971824997 MNQOEXYMTXAICF-WDEREUQCSA-N 325.365 0.595 70 20 ECID O=C(NC1CN(C(=O)C#CC2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 999954976 YVZVARKARWHYFY-UHFFFAOYSA-N 339.348 0.027 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)NC[C@@H]1CCCS1(=O)=O 1262790651 WSJUPNLZGFYOEJ-LBPRGKRZSA-N 349.405 0.581 70 20 ECID COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1262732830 WCCJJTRRZGTOOY-SSDOTTSWSA-N 346.258 0.897 70 20 ECID CN(C)CC1(O)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1521763738 ZBKXNOQRRUVNPJ-UHFFFAOYSA-N 333.385 0.202 70 20 ECID CN(C)C(=O)Cn1cc(C(=O)NCCc2cc3ccccc3[nH]2)nn1 159604772 RJZINVCGKGKWBD-UHFFFAOYSA-N 340.387 0.820 70 20 ECID NC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123617340 VHNPUDCTNZTSAJ-QMMMGPOBSA-N 332.357 0.336 70 20 ECID C[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)[C@@H]1C[C@H]1C 1078506057 GGPSMQBFEJMHNO-WCABBAIRSA-N 345.396 0.954 70 20 ECID C#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1096026124 MDRUBHLRTQNBLK-CDMKHQONSA-N 325.365 0.641 70 20 ECID N#C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1C1CC1 1338976990 YQTPERJZFHSUPX-JTQLQIEISA-N 326.353 0.485 70 20 ECID CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(C)nc2)CC1 161228854 NQRSHIQMJKJZMY-AWEZNQCLSA-N 347.463 0.718 70 20 ECID CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]3OCC[C@H]23)o1 159912721 YCGLGKNSYVNICL-VWYCJHECSA-N 328.390 0.875 70 20 ECID Cc1cc(NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)no1 159917789 UJPPHSIAWNMWPD-UHFFFAOYSA-N 329.316 0.489 70 20 ECID CO[C@@H](C)CN1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1003642460 AUNUCDKJIHTYFZ-JTQLQIEISA-N 347.412 0.902 70 20 ECID C[C@H](O)CN1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1023590845 HTOYSETUWDPREN-QWRGUYRKSA-N 347.412 0.496 70 20 ECID COCCN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1215571921 ZMICTZYDPVTOKI-BXKDBHETSA-N 333.385 0.369 70 20 ECID C[C@H](O)CN[C@@H]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1086803477 LARGCOMCIWPYSL-GARJFASQSA-N 347.412 0.542 70 20 ECID O=C1C[C@@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2Cl)CN1 1337475082 OPZFTEPZAKQUIW-SSDOTTSWSA-N 334.756 0.864 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1CNCC#N 1185168916 KKJVSBJOQKOWRF-MNOVXSKESA-N 342.396 0.884 70 20 ECID COC[C@H](C)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185731175 OXDWOFNDLMIVBU-VHSXEESVSA-N 333.385 0.512 70 20 ECID C[C@@H](CNC(=O)Cc1ccc(S(=O)(=O)F)cc1)S(C)(=O)=O 1354899821 XDUSRCIDTZNDHN-VIFPVBQESA-N 337.394 0.437 70 20 ECID O=C1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1351577106 BYUVTIXEDMGQKP-CMPLNLGQSA-N 344.364 0.883 70 20 ECID CN(C)[C@@H]1CN(c2ccc(S(=O)(=O)F)cn2)C[C@H]1n1ccnn1 1550634921 RXWOGZQCWWLVPC-VXGBXAGGSA-N 340.384 0.323 70 20 ECID O=C(NC[C@@H]1CCC2(CNC2)O1)c1ccc(S(=O)(=O)F)cc1 1580646081 SGWXIYIATPGJDT-NSHDSACASA-N 328.365 0.596 70 20 ECID Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C 161102149 IAOQREPAWVCYBO-SMDDNHRTSA-N 331.420 0.718 70 20 ECID NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2c[nH]nc2-c2ccccc2F)O1 161400150 YFMDHAJRLJBVLD-ZANVPECISA-N 332.335 0.979 70 20 ECID CCc1nn(C)c(Cl)c1C(=O)N1CC[C@H](S(=O)(=O)NC)C1 159608736 GEGONARSCJJRQL-QMMMGPOBSA-N 334.829 0.400 70 20 ECID COC(=O)C[C@@H]1C(=O)NCCN1Cc1ncccc1C(F)(F)F 159792443 LIFBVJUAZOTKAK-LLVKDONJSA-N 331.294 0.964 70 20 ECID C[C@@H](CCNC(=O)[C@H](C)C#N)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1078137534 BVDJGIARUXDJMR-BDAKNGLRSA-N 344.368 0.457 70 20 ECID CC(C)[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC[C@@H](C)O 1753840512 GVQZZRXRASYPJV-SKDRFNHKSA-N 335.401 0.398 70 20 ECID O=C(CCn1cccn1)N1CCN(C(=O)c2ccccc2O)CC1 161104167 RYAPIUTXEFQWMT-UHFFFAOYSA-N 328.372 0.963 70 20 ECID O=C(CNS(=O)(=O)c1cccs1)N1CCOC[C@@H]1C1CC1 161253151 QFMBJFWHBRBQNK-LLVKDONJSA-N 330.431 0.664 70 20 ECID CNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)c2cccc(C)c2)co1 160036790 KBRZQMQTBHMXPY-CYBMUJFWSA-N 338.385 0.960 70 20 ECID COC(=O)NCC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 160085181 NAXSDBCCFYEKLQ-UHFFFAOYSA-N 331.376 0.563 70 20 ECID Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c(=O)[nH]1 160480561 YYPGAQDQOAGBAX-ZYHUDNBSSA-N 327.406 0.131 70 20 ECID CNC(=O)[C@@H]1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2F)C1 159757930 BULMZEFIPNGBOO-LLVKDONJSA-N 348.378 0.954 70 20 ECID O=C(O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C1CC1 1602186523 MKUBQKNZHRGEJM-VHSXEESVSA-N 330.337 0.856 70 20 ECID Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3CCc4ncnn4C3)C2)no1 161311632 GKERUFLHHSFDCI-STQMWFEESA-N 345.407 0.949 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1cn(Cc2cccs2)nn1 160233942 OAVCNOHSTHCPNT-CYBMUJFWSA-N 349.460 0.965 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](C)OC(C)(C)C1)CC2 160637721 VXBHZYALLGDHTR-NWDGAFQWSA-N 337.424 0.948 70 20 ECID CC(C)CSCCCNC(=O)c1cn(CC(=O)N(C)C)nn1 160779769 CSVFUMRQDGAOCS-UHFFFAOYSA-N 327.454 0.875 70 20 ECID CCCN(C(=O)[C@H](C)Nc1cc(C)n(C)n1)[C@@H]1CCS(=O)(=O)C1 159591957 UVRKNHQRXURFOB-QWHCGFSZSA-N 342.465 0.955 70 20 ECID COCCCNC(=O)COC(=O)c1ccc(S(=O)(=O)F)cc1 838087889 KICDWJJGSQVPHS-UHFFFAOYSA-N 333.337 0.654 70 20 ECID CO[C@H](C)C(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942442515 QMMDUZPADNPSOT-RKDXNWHRSA-N 347.368 0.039 70 20 ECID C=C(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958413469 PAPTUGZMFCQHMQ-MFKMUULPSA-N 345.396 0.272 70 20 ECID O=C(NCCNC[C@@H]1C[C@H]2CC[C@H]1O2)c1cc(S(=O)(=O)F)c[nH]1 1133981625 WDAXRZHSIYKSJD-OPQQBVKSSA-N 345.396 0.560 70 20 ECID COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1cccnc1 1263791576 ZCAMHICUTDTATC-NSHDSACASA-N 341.320 0.712 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCc1ccccn1 160356801 QSPHRJIPRVDHHI-TZMCWYRMSA-N 325.434 0.848 70 20 ECID C[C@H]1C[C@H](NC(=O)C2CC2)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1014071856 LVNCICJYUGUYAY-WPRPVWTQSA-N 343.380 0.802 70 20 ECID C[C@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1012080402 VOBGPDDOMMNTOL-KWQFWETISA-N 343.380 0.802 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1NCCO 1036194320 PCVCWEMMPRPIKY-ONGXEEELSA-N 333.385 0.105 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN([C@@H](C)COC)C1 951760503 HTENCIPSOWDPSX-JTQLQIEISA-N 347.412 0.854 70 20 ECID O=C(NC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1 956230138 YTYGISGTZSADDG-JTQLQIEISA-N 343.380 0.804 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)NCCS(=O)(=O)C1CC1 1121220712 AJCDPRLRADGQSE-UHFFFAOYSA-N 349.405 0.581 70 20 ECID C[C@@H](C[C@@H](C)NCCCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1135489586 VWBXRHKXJGXHQT-ZJUUUORDSA-N 335.401 0.542 70 20 ECID C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1077689945 OIBVPDLMRMFTJG-CHWSQXEVSA-N 345.396 0.414 70 20 ECID Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1CC=CC1 161008503 FOTZFLOGMVDALM-SNVBAGLBSA-N 326.422 0.539 70 20 ECID C[C@@H](NC(=O)CCC(=O)N1CCN(c2ccccc2)CC1)C(N)=O 160186010 QNENVLAHMNAEPL-CYBMUJFWSA-N 332.404 0.105 70 20 ECID Cc1c(C(=O)Nc2ccccn2)cnc2c1c(=O)n(C)c(=O)n2C 160373756 BEZLVVHQWFFKJR-UHFFFAOYSA-N 325.328 0.588 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)c1ccccc1)CC2 160576624 HCRALWHULICOOJ-ZIAGYGMSSA-N 345.403 0.772 70 20 ECID CC(=O)N1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C(C)(C)C1 1008601620 NYAIUWSPJKUUHG-NSHDSACASA-N 331.369 0.660 70 20 ECID C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1C(=O)C1CC1 1012133696 VHISDPDPQOEZEB-WCBMZHEXSA-N 343.380 0.802 70 20 ECID CCO[C@@H]1C[C@](CO)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1(C)C 1123649506 SJXNMBFBACINPW-BXUZGUMPSA-N 348.396 0.969 70 20 ECID C=C(C)CN1CCOC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051117359 ZXIDCWIEMGIYQM-NSHDSACASA-N 345.396 0.680 70 20 ECID C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CN1CCOCC1 1348646405 HODWIOCMPIAHEZ-JTQLQIEISA-N 333.385 0.371 70 20 ECID O=C(NCCn1cccc1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 160162331 VZZYFZHYOJHPIE-UHFFFAOYSA-N 342.277 0.950 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@](C)(O)c1ccco1)CC2 160650109 AIDUPFCJKGXMBL-MEDUHNTESA-N 349.391 0.539 70 20 ECID COCCN1CCN(Cc2c(O)nnn2-c2ccccc2)CC1=O 160818331 ZGPYMGQBSUIPIR-UHFFFAOYSA-N 331.376 0.264 70 20 ECID CCC[C@@H]1CN(C(=O)NC2CCN(CC(=O)NC)CC2)CCO1 159688869 IRJYKANRLVXMIX-CQSZACIVSA-N 326.441 0.407 70 20 ECID N#Cc1c[nH]nc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460091286 HLAWRIXXIMMDOA-UHFFFAOYSA-N 330.322 0.740 70 20 ECID NC(=O)[C@H]1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)nc2)O1 161025365 FOZXLYWXPJHCKO-UONOGXRCSA-N 326.356 0.906 70 20 ECID CCc1nn(C)c(Cl)c1C(=O)N1CCN(C(=O)CN(C)C)CC1 160070012 ITSJOVDMGULUFV-UHFFFAOYSA-N 341.843 0.482 70 20 ECID Cn1c(C(=O)Nc2nc(CN3CCOCC3)cs2)cccc1=O 160258514 VBMGCDFAQQUEAE-UHFFFAOYSA-N 334.401 0.926 70 20 ECID Cc1nn(C)c(C)c1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 160258940 SKHRHZQYLLLCQQ-RYUDHWBXSA-N 328.438 0.485 70 20 ECID CCOC(=O)c1cnn2c(C(=O)NCCN(CC)CC)ccnc12 159586336 QHBUHLHQCGQDCY-UHFFFAOYSA-N 333.392 0.978 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1NCCO 1036194304 PCVCWEMMPRPIKY-GXSJLCMTSA-N 333.385 0.105 70 20 ECID CN(CCNc1nccnc1F)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1101955355 GFWCNDWINNFABI-UHFFFAOYSA-N 345.331 0.786 70 20 ECID Cc1nc2ncnn2c(NCCNS(=O)(=O)c2cccnc2)c1C 161197551 RZDLJROGURCCDM-UHFFFAOYSA-N 347.404 0.527 70 20 ECID CNC[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F 161226983 JQMTWJOJPVMTGR-NEPJUHHUSA-N 343.424 0.703 70 20 ECID CCN(C(=O)N[C@H]1CCc2ncnn2C1)[C@H](C)CS(=O)(=O)CC 161357651 PVDORABEGLNJPI-NEPJUHHUSA-N 343.453 0.448 70 20 ECID CNC(=O)C(C)(C)CNC(=O)N1CCN(Cc2ccccn2)CC1 160853960 UZIUZILULDCTRV-UHFFFAOYSA-N 333.436 0.681 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C[C@H](C)O)C1 951760258 BCWHFIHNPIUQHS-VIFPVBQESA-N 333.385 0.200 70 20 ECID CC(=O)N(C)C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 988351334 KGDDWHSXUOAFJE-JTQLQIEISA-N 331.369 0.613 70 20 ECID C[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)[C@H]1C[C@@H]1C 1078506055 GGPSMQBFEJMHNO-QXEWZRGKSA-N 345.396 0.954 70 20 ECID N#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1095006208 ZCQFUUQSZUGTCC-AXFHLTTASA-N 340.380 0.779 70 20 ECID CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@@H]3CNC)cnc21 161249077 UFJHQBKVZUALAA-GFCCVEGCSA-N 345.403 0.319 70 20 ECID Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CNCC2CC2)cc1 161405775 GPHVYLOBDGKMQU-UHFFFAOYSA-N 339.461 0.731 70 20 ECID CCCNC(=O)NC(=O)CN1CCC([C@@H](O)C(F)(F)F)CC1 161491470 LPJLCPNQJWSPTQ-LLVKDONJSA-N 325.331 0.857 70 20 ECID CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@@H](Cn2ccnn2)C1 160012127 YFSBHRZKKOPBDX-GFCCVEGCSA-N 328.438 0.730 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)co1 160343012 XCGWTLUDVHPLGO-JQWIXIFHSA-N 328.390 0.829 70 20 ECID C[C@@H]1CCC[C@@H](C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 160492920 UVCPBVQHQQVNEF-JHJVBQTASA-N 330.450 0.574 70 20 ECID C#CCCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008546128 HPHKLNFFNQUNCB-NSHDSACASA-N 327.381 0.890 70 20 ECID O=C(NC1CN(CC2CCOCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030971905 AZWFGNHUCXGCRE-UHFFFAOYSA-N 345.396 0.514 70 20 ECID COC(=O)[C@@H](O)CNC(=O)c1cc(OC)ccc1Br 217685558 QFYJIIHGTOECQQ-JTQLQIEISA-N 332.150 0.721 70 20 ECID CC(C)C[C@@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 161030833 CVVZYGQTDHYPTF-LBPRGKRZSA-N 328.438 0.815 70 20 ECID COC[C@@H](O)CCNC(=O)c1nn(-c2ccccc2)c(C)cc1=O 161268012 KFRPPXIIIBUDHN-AWEZNQCLSA-N 331.372 0.668 70 20 ECID Cc1cccc([C@H](CNC(=O)C2(NC(N)=O)CC2)N2CCOCC2)c1 160361014 HSJXHHHRSONQLJ-HNNXBMFYSA-N 346.431 0.685 70 20 ECID Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 159921449 YFESQHMPBHZZBT-JLLWLGSASA-N 328.390 0.923 70 20 ECID CN(C)C[C@](C)(O)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1 161490205 LPXFJIQXXFPLCQ-LLVKDONJSA-N 342.248 0.979 70 20 ECID CCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1014070683 FCWCNXSNHYCMJS-IUCAKERBSA-N 331.369 0.802 70 20 ECID C[C@H](O)CNCC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1206307103 BNIZPAPDPZDKJV-JTQLQIEISA-N 347.412 0.496 70 20 ECID CN(Cc1nnc2ccccn12)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1347457556 KLGBMXDTMPHVGC-UHFFFAOYSA-N 337.336 0.988 70 20 ECID CN(C)C(=O)O[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1520006629 JIBRMTMMFRSHJP-SECBINFHSA-N 347.368 0.976 70 20 ECID Cc1conc1NC(=O)C(=O)NCCn1c(=O)oc2ccccc21 161097859 CETRWKQBVWVLIR-UHFFFAOYSA-N 330.300 0.646 70 20 ECID Cc1ccc(F)cc1S(=O)(=O)N(CCOCCO)CCN(C)C 161303724 AQWREISFOFCBHN-UHFFFAOYSA-N 348.440 0.695 70 20 ECID CCN1CCN(C(=O)[C@@H](C)N2CCN(c3ccncc3)CC2)CC1 161319040 MHVWJEXFGCDKGP-MRXNPFEDSA-N 331.464 0.756 70 20 ECID CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC2(CO)CC2)cc1 160332323 OAKNCOYOWPQBAT-UHFFFAOYSA-N 326.418 0.970 70 20 ECID COC[C@@H](O)CNS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 160905431 QFUDNZPGPKTNPM-NSHDSACASA-N 343.380 0.605 70 20 ECID CCN(C(=O)CN(C)C[C@@H]1CCC[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 159655030 MPQICSQNTNELED-MJBXVCDLSA-N 332.466 0.115 70 20 ECID CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ncc(C(N)=O)s1 159588923 PABOIZOBBPATIQ-UHFFFAOYSA-N 343.434 0.901 70 20 ECID O=C(N[C@H]1C[C@H](Nc2ncccn2)C1)c1cc(S(=O)(=O)F)c[nH]1 1059415074 VRDBCVCYBSGVSW-KYZUINATSA-N 339.352 0.836 70 20 ECID CCC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 980563914 ZIJHLBQZRUCAKY-KYZUINATSA-N 331.369 0.708 70 20 ECID CCC(=O)NC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 992412861 ZIJHLBQZRUCAKY-UHFFFAOYSA-N 331.369 0.708 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N(C)[C@H]1CCN(C)C1=O 1340647540 LEEUJXXZMKSUKN-LBPRGKRZSA-N 328.365 0.956 70 20 ECID CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](C)CCO)c1 161082223 RUWAPIVEZFCUBH-SNVBAGLBSA-N 332.397 0.872 70 20 ECID Cn1cc(Br)cc1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 161130313 JQEPDBQQJGRXGG-SCZZXKLOSA-N 330.182 0.550 70 20 ECID CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 161134141 RKNXAIYMLUJXLB-DGCLKSJQSA-N 329.422 0.769 70 20 ECID CC[C@@H](CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)OC 1166871413 DGSJLOUJKUEAAE-JTQLQIEISA-N 335.401 0.807 70 20 ECID O=C(CNC(=O)c1cccc(S(=O)(=O)F)c1)NCC(F)(F)F 1339471713 GIDOABZQXAQWJP-UHFFFAOYSA-N 342.270 0.753 70 20 ECID COCCCN1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1197181479 ZEHGRZBVGSEJHD-UHFFFAOYSA-N 347.412 0.857 70 20 ECID COC(=O)Cn1cc(CCN2CCC[C@@H]2[C@H](O)C(F)(F)F)nn1 160100650 LNLWXOLWZMWGQS-PWSUYJOCSA-N 336.314 0.381 70 20 ECID CCc1nnsc1C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 160323478 LOSHHXKAWNAHKQ-WCBMZHEXSA-N 332.451 0.548 70 20 ECID O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@]1(F)CCNC1 160435306 BATOYAMTMCAHSH-NHYWBVRUSA-N 344.770 0.962 70 20 ECID CCN(CCCNC(=O)NCc1cnn(C)c1C)S(C)(=O)=O 160485824 GXXYEUVGXIOYLB-UHFFFAOYSA-N 331.442 0.199 70 20 ECID Cc1ccc2ncc(C(=O)NC[C@@H](O)CN3CCCCC3)c(=O)n2c1 160566740 YJUJBHLSWFKNBP-CQSZACIVSA-N 344.415 0.580 70 20 ECID NC[C@@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)CCCO1 852751089 OWAPIVUKPZHSNA-SSDOTTSWSA-N 342.286 0.495 70 20 ECID C[C@@H](O)CN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1052716257 LBRNMXRENAFVRW-GHMZBOCLSA-N 347.412 0.638 70 20 ECID C#CCCN1C[C@@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978729701 ZFFPLPBZMGJLQF-CHWSQXEVSA-N 339.392 0.604 70 20 ECID C#CCN[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 981339335 FOSIOVCFBLBBLS-QWRGUYRKSA-N 327.381 0.937 70 20 ECID O=C(NCC1(NCc2cnon2)CC1)c1cc(S(=O)(=O)F)c[nH]1 1754525264 IZAZKYJKQXTZPO-UHFFFAOYSA-N 343.340 0.108 70 20 ECID CNC(=O)Cn1cc(NC(=O)c2cccc(-c3ncn[nH]3)c2)cn1 161123265 WUUSGKUYTSPPLL-UHFFFAOYSA-N 325.332 0.667 70 20 ECID CS(=O)(=O)N1CCC[C@H](C(=O)NCCc2cccc(O)c2)C1 160131900 WMKRELTUWZDSQO-ZDUSSCGKSA-N 326.418 0.723 70 20 ECID COCCOCCS(=O)(=O)Nc1cccc(S(=O)(=O)F)c1 490538106 WOIJTCBLOCZUFU-UHFFFAOYSA-N 341.382 0.750 70 20 ECID C[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)N1C(=O)CCC1=O 857674179 DSFUUAAAVSQCTQ-ZETCQYMHSA-N 346.311 0.960 70 20 ECID CN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(S(=O)(=O)F)cc1 865207314 LZHMNYJLSOMOCX-NSHDSACASA-N 346.405 0.948 70 20 ECID O=C(CC1CCC1)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 990636884 XYRJBCXSGVXEBS-UHFFFAOYSA-N 343.380 0.804 70 20 ECID O=C(N[C@@H]1COc2ccccc2[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1347341002 WINRFRGJGVKSRZ-DGCLKSJQSA-N 340.332 0.897 70 20 ECID COc1ccc(N(C)C(=O)Cn2ccc(=O)n(C)c2=O)cc1Cl 160004509 YOMRXSWOMXDDFL-UHFFFAOYSA-N 337.763 0.872 70 20 ECID CCCNC(=O)CN1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1 160387301 CNHQCZDDTNKOPK-QGZVFWFLSA-N 340.468 0.533 70 20 ECID CN(Cc1cccn1C)C(=O)CCN1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 160413972 HVNBEJQQPNHQPH-SDADXPQNSA-N 345.399 0.536 70 20 ECID CS(=O)(=O)c1ccc(C(=O)NCC2CCN(CCO)CC2)cc1 160573542 VSQGGAMBWVSMFF-UHFFFAOYSA-N 340.445 0.524 70 20 ECID O=C(CCN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)N1CCCCC1 159459936 XQFKUNGLXRCKIG-UHFFFAOYSA-N 346.431 0.535 70 20 ECID CC(=O)N[C@H](C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1009761402 VMKJAQFQDWPZLK-PRHODGIISA-N 347.368 0.039 70 20 ECID CCN(CC(=O)N[C@H](C(=O)NC)c1ccccc1)Cc1cnn(C)c1 161131435 VGIXVPBUBVRRAV-KRWDZBQOSA-N 343.431 0.846 70 20 ECID CC(C)CCOCCNC(=O)CS(=O)(=O)Cc1nccn1C 161203628 FYIZRPSTUVWOSD-UHFFFAOYSA-N 331.438 0.514 70 20 ECID CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC(C)(O)CC1 161257121 XHLGISIUCOKEGK-NSHDSACASA-N 338.495 0.421 70 20 ECID Cc1ccc(S(N)(=O)=O)c(C(=O)N(C)C[C@H]2CCC[C@H]2O)c1 161335642 JJDYXLNZRMUSAM-DGCLKSJQSA-N 326.418 0.875 70 20 ECID CN(C)S(=O)(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 160005250 BMHQNUOFPCYXIB-JTQLQIEISA-N 342.339 0.841 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H](COC)C1)CC2 160687915 HBHDILMKHWVIRJ-CHWSQXEVSA-N 337.424 0.807 70 20 ECID C#CCCN1[C@H]2CC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1029478582 SQWCHPVGCAWAQT-RYUDHWBXSA-N 339.392 0.985 70 20 ECID COC(=O)N1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1 217263889 WTJNKNQPKKHFDL-UHFFFAOYSA-N 330.385 0.605 70 20 ECID O=C(NC1CN(Cc2cscn2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030971974 FCJATHLMFZCCNP-UHFFFAOYSA-N 344.393 0.744 70 20 ECID CCCN1C[C@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 978718325 KOAPFOIRXLGYHW-RYUDHWBXSA-N 329.397 0.991 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN([C@@H]2CCC[C@H]2O)CC1 1345746743 FBQGKNQAMCYIAS-CHWSQXEVSA-N 345.396 0.344 70 20 ECID C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1340810691 PRJUAVIEEZCRHE-SKDRFNHKSA-N 349.405 0.437 70 20 ECID Cn1cc(O[C@H]2CN(c3ccc(S(=O)(=O)F)cn3)C[C@@H]2O)cn1 1550632150 DBTIRSNBZFPGHB-RYUDHWBXSA-N 342.352 0.102 70 20 ECID CN(C)C(=O)c1ccc(NCC(=O)NCC(=O)NC(C)(C)C)cc1 161113337 NJAKHGSVENFEBQ-UHFFFAOYSA-N 334.420 0.831 70 20 ECID CC(C)S(=O)(=O)CCCN1CCN([C@H](C)C(=O)NC2CC2)CC1 160620272 YLGPBAIPQXJDPA-CQSZACIVSA-N 345.509 0.484 70 20 ECID CS(=O)(=O)NCCNC(=O)N1CCC[C@H](Nc2ccccc2)C1 160918135 RMCSTRYYHSHUND-AWEZNQCLSA-N 340.449 0.822 70 20 ECID Cc1nc(S(=O)(=O)N(C)CC(C)(C)CN2CCOCC2)cn1C 159468051 ZUMXWTGSONSPFI-UHFFFAOYSA-N 344.481 0.707 70 20 ECID CC(=O)NC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1020812742 NKUCTERZADPHRZ-ONGXEEELSA-N 345.396 0.907 70 20 ECID O=C(N[C@@H](CO)Cc1ccncc1)c1cc(S(=O)(=O)F)c[nH]1 1346928892 JARJMRQEHAJPLL-SNVBAGLBSA-N 327.337 0.401 70 20 ECID CCOC(=O)N1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1347457423 GCWJWPRXMPXZNT-UHFFFAOYSA-N 347.368 0.977 70 20 ECID CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CN1CCNCC1=O 161062716 XDIJEHFYNJTUKC-UHFFFAOYSA-N 346.431 0.522 70 20 ECID CC(C)CN(CC(N)=O)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 159725627 PFWVDQDLJBPPSJ-UHFFFAOYSA-N 346.362 0.955 70 20 ECID CN(C)c1ccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c(F)c1 159396515 VTGIOOMMLKGUGH-DYZYQPBXSA-N 348.378 1.000 70 20 ECID COCC(=O)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1012172362 NAOJGKRAFHWXFZ-IUCAKERBSA-N 347.368 0.039 70 20 ECID O=C(NC1CN(Cc2ccon2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030966053 HOGFKMCROALMEO-UHFFFAOYSA-N 328.325 0.275 70 20 ECID CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CCc3ncnn3C2)C1 161256479 FLZPTERELAEUTB-ZIAGYGMSSA-N 348.451 0.787 70 20 ECID Cc1c(C(=O)Nc2ccncc2)cnc2c1c(=O)n(C)c(=O)n2C 159922549 PASUXFJPJBLWQE-UHFFFAOYSA-N 325.328 0.588 70 20 ECID CCCN1CCO[C@@](C)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1108218892 ATLRUIJVLDBATN-AWEZNQCLSA-N 347.412 0.904 70 20 ECID CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1NCCO 1037931614 FARPZPXLSLESSE-JQWIXIFHSA-N 347.412 0.496 70 20 ECID COc1ccc(N2C(=O)C(=O)N(CCS(=O)(=O)F)C2=O)cc1 883953503 YBEMDJPZYANYGH-UHFFFAOYSA-N 330.293 0.290 70 20 ECID N#CCN1CC=C(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1161243785 OMRFGESFWNDPJJ-UHFFFAOYSA-N 340.380 0.948 70 20 ECID CC[C@H](CN1CCOCC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1263935465 FECGJUNEXRRGJR-SNVBAGLBSA-N 333.385 0.514 70 20 ECID NC(=O)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346292146 YPESWSZANUTCQX-UHFFFAOYSA-N 339.348 0.801 70 20 ECID O=C(NCCN1C(=O)CCC1=O)Nc1ccn(CC(F)(F)F)n1 160698713 ZHKWXRNDUISJCY-UHFFFAOYSA-N 333.270 0.716 70 20 ECID CC[C@@H](O)CCNC(=O)NCc1ccnc(N2CCN(C)CC2)c1 160956891 AMKKMUZTLMGMEY-OAHLLOKOSA-N 335.452 0.794 70 20 ECID CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCC[C@H](N)C2)cc1 161366670 CDKKEWFWVHWLJQ-UONOGXRCSA-N 339.461 0.913 70 20 ECID CSC[C@@](C)(O)CNC(=O)NCCCCN1CCN(C)CC1 160434001 ZUWGDSSCIFDYCY-HNNXBMFYSA-N 332.514 0.427 70 20 ECID CC(=O)N(C)C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 159663024 YRHYDOFTTBAWRD-UHFFFAOYSA-N 336.436 0.794 70 20 ECID CN(C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 217285905 OPTNDTCJOSQGDF-QWRGUYRKSA-N 331.438 0.214 70 20 ECID CS(=O)(=O)NCCOC(=O)c1ccc(S(=O)(=O)F)cc1 490535818 FEADMHFEBKEXAI-UHFFFAOYSA-N 325.339 0.051 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1NCCO 1036194319 PCVCWEMMPRPIKY-MWLCHTKSSA-N 333.385 0.105 70 20 ECID CC(=O)N1CCC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 983740115 RCYRIKLWCKSJAQ-SNVBAGLBSA-N 331.369 0.756 70 20 ECID C[C@@H]1C[C@H](NCCCO)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1755687534 YSKKAFRRRBTCJP-ZJUUUORDSA-N 333.385 0.248 70 20 ECID Cn1cc(N2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4CN3)C2=O)cn1 161140773 LJISKTVQCSBYTO-HOTGVXAUSA-N 339.399 0.356 70 20 ECID COCC(C)(C)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 161207087 DAAWXTRBUYLCQZ-UHFFFAOYSA-N 338.408 0.738 70 20 ECID O=C1CNC(=O)N1CCN1CCCC[C@@H]1c1nnc2n1CCCC2 160614889 DNJSYGUXMFQKPJ-GFCCVEGCSA-N 332.408 0.693 70 20 ECID CCOC(=O)C1CCN(C(=O)[C@H](C)N(C)C[C@H](O)C2CC2)CC1 160731807 DRPQSERVRWAXCC-WFASDCNBSA-N 326.437 0.879 70 20 ECID Cn1cc(N2CCN(c3ccc(S(C)(=O)=O)cc3)CC2=O)cn1 159420022 MHSANVCRNMACNN-UHFFFAOYSA-N 334.401 0.677 70 20 ECID CCOCCC1(CNC(=O)c2cn(CC(=O)N(C)C)nn2)CCC1 159670685 AIHQAXPPHNVBED-UHFFFAOYSA-N 337.424 0.693 70 20 ECID CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1009603157 PMGXNZUTCNWUHO-PELKAZGASA-N 347.368 0.039 70 20 ECID CSC[C@@](C)(O)CNC(=O)Cn1cnc2sccc2c1=O 217701966 OTXCHHQIRHTAEP-ZDUSSCGKSA-N 327.431 0.688 70 20 ECID CC(C)=CC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938845028 ZYTYFXYOLVBYFB-JTQLQIEISA-N 343.380 0.970 70 20 ECID C[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 953621104 SNRXAMYERROCAM-LDYMZIIASA-N 343.380 0.612 70 20 ECID O=C(Cc1cccnc1)NNC(=O)c1cccc(S(=O)(=O)F)c1 1121031908 GXTJKAYITWECCS-UHFFFAOYSA-N 337.332 0.744 70 20 ECID CC#CCN1C[C@@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978719507 MJJVTRNMZMZQDY-CHWSQXEVSA-N 339.392 0.604 70 20 ECID O=C(NCCCCCCNCCCO)c1cc(S(=O)(=O)F)c[nH]1 1179616432 AIXBQKLXNGRFCA-UHFFFAOYSA-N 349.428 0.935 70 20 ECID CCc1cc(O)nc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 160567335 AJQWSOIHSLWDFK-ZDUSSCGKSA-N 340.449 0.049 70 20 ECID O=C(Cn1c(=O)cnc2ccccc21)NCC1CCN(CCO)CC1 160654801 SBFWSRHSYCHDBK-UHFFFAOYSA-N 344.415 0.217 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)C1 159609172 HAOXTVWJQFEWEP-HUUCEWRRSA-N 332.404 0.832 70 20 ECID Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cn1 159940270 AZUOPNIITJBPTH-MRXNPFEDSA-N 347.463 0.717 70 20 ECID O=C(c1cncc(OS(=O)(=O)F)c1)N1CCC[C@@H]2COC[C@@H]21 1887511924 JPWKVHFANSZDHQ-SKDRFNHKSA-N 330.337 0.926 70 20 ECID Cn1cncc1CN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1030966462 SFVKKAHJSVIPFU-UHFFFAOYSA-N 341.368 0.021 70 20 ECID O=C(NCCNCc1ccccn1)c1cc(S(=O)(=O)F)c[nH]1 1133976283 KIXNUPAMAMFCER-UHFFFAOYSA-N 326.353 0.588 70 20 ECID CCN[C@@H](C)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 979395555 WZINVJKVKNGHJK-CABZTGNLSA-N 333.385 0.512 70 20 ECID CO[C@H](C)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1088864371 HGGDGKJANWZQOD-FOGDFJRCSA-N 347.412 0.900 70 20 ECID COC[C@H](C)N(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192399053 UXTWGDGJGSIDFD-WDEREUQCSA-N 347.412 0.854 70 20 ECID O=C(O)CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCOCC1 1608720699 XWEPWXXHTWZJDN-UHFFFAOYSA-N 348.352 0.769 70 20 ECID CNS(=O)(=O)c1cccc(CNC(=O)[C@@]2(C)CCCNC2)c1 161367324 XFKUFQMMUADNNT-HNNXBMFYSA-N 325.434 0.601 70 20 ECID CC(=O)Nc1nc(C(=O)NCC2CCN(CCO)CC2)cs1 160642825 MCKCLDQJCHNBSH-UHFFFAOYSA-N 326.422 0.536 70 20 ECID O=C1CCCN1CCCNC(=O)N1CCCN(c2cccnn2)CC1 160768399 NZKRVGDPWIXMQQ-UHFFFAOYSA-N 346.435 0.711 70 20 ECID COCCCn1ccc(NC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)n1 159901897 PGAQFSFHVYSTLA-STQMWFEESA-N 325.413 0.760 70 20 ECID C[C@@H]1C[C@@H](NC(=O)C2CC2)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1014071853 LVNCICJYUGUYAY-PSASIEDQSA-N 343.380 0.802 70 20 ECID CCC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 948097342 QUFJYGRKMBIQFC-VHRDEZTHSA-N 329.353 0.412 70 20 ECID Cc1cc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)sn1 1133981629 WKULNDXPOMIYTO-UHFFFAOYSA-N 346.409 0.957 70 20 ECID O=C(NNc1ncccc1C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1594781743 UOZZCDUVSISIDA-UHFFFAOYSA-N 328.281 0.523 70 20 ECID Cc1conc1NC(=O)C(=O)N(CCCN(C)C)CCCN(C)C 160323468 KVWZEWIJTTXUQV-UHFFFAOYSA-N 339.440 0.654 70 20 ECID Cc1cccc(Cn2[nH]cc/c2=N/C(=O)CN2CCNC(=O)[C@H]2C)c1 160354683 XPMCIVYSORJGNM-VDVBZYJVSA-N 341.415 0.421 70 20 ECID O=C(NC[C@H]1CCCS1(=O)=O)c1ccc(S(=O)(=O)F)cc1 864244528 ZSELARXNAXGNFC-LLVKDONJSA-N 335.378 0.652 70 20 ECID C[C@@H](O)CN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1052716260 LBRNMXRENAFVRW-MNOVXSKESA-N 347.412 0.638 70 20 ECID CS(=O)(=O)CCN1CCN(C(=O)OCc2ccccc2)CC1 160269038 SIKUIMSZVLBKHT-UHFFFAOYSA-N 326.418 0.985 70 20 ECID C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 993818402 FOVOKPKPXPYYAL-PWSUYJOCSA-N 327.381 0.889 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](C(=O)N2CCCC2)C1 1340623830 CIJUNCLEFREVSK-SNVBAGLBSA-N 343.380 0.757 70 20 ECID O=C(N[C@H](C[C@@H]1CCCOC1)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601409904 IFELTUQUJRMXFF-GZMMTYOYSA-N 348.352 0.673 70 20 ECID COC1(C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)CCNCC1 160927805 DXKPZRXVDNFEAN-OAHLLOKOSA-N 331.416 0.985 70 20 ECID CN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1cc(F)ncn1 1100330161 FWOORQLHCXGHGY-UHFFFAOYSA-N 345.331 0.468 70 20 ECID COc1ccc(Cl)c(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c1 161484788 KNNNSFWZUOKZRU-CYBMUJFWSA-N 336.841 0.940 70 20 ECID CN(C)C(=O)N1CCN(C(=O)CCNC(=O)C2CCCCC2)CC1 160057328 QCLHSNBMERBCEB-UHFFFAOYSA-N 338.452 0.899 70 20 ECID O=C(NCCn1cccc1)C(=O)Nc1ccccc1Cn1cncn1 160163423 HEXIJSQZULNSCW-UHFFFAOYSA-N 338.371 0.883 70 20 ECID Cn1c(=O)oc2cc(NC(=O)C(=O)NCCn3cccc3)ccc21 160181269 ANDKGYQQJXPPCJ-UHFFFAOYSA-N 328.328 0.688 70 20 ECID O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCNC1 160434873 XVETTZSQCABFRA-SKDRFNHKSA-N 326.780 0.870 70 20 ECID Cn1ncc2c(=O)n(CC(=O)N[C@H]3CCOC4(CCCC4)C3)cnc21 159828152 UFQYPPXZGMBVDF-LBPRGKRZSA-N 345.403 0.738 70 20 ECID C[C@@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CCOCC1 159630464 MHZMZGMSDVAVJI-OAHLLOKOSA-N 337.464 0.816 70 20 ECID Cc1ccc(C(=O)NCCO)cc1S(=O)(=O)NC1CCCC1 159391755 IMSIEVFBESQGMO-UHFFFAOYSA-N 326.418 0.938 70 20 ECID COCCNCC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 160400294 ODLDPXINVFPPDH-ZDUSSCGKSA-N 325.796 0.798 70 20 ECID CN(C(=O)N[C@@H]1CCN(C2CCCC2)C1)[C@H]1CCS(=O)(=O)C1 160905569 YPSTXBHJJOIQBN-OCCSQVGLSA-N 329.466 0.832 70 20 ECID O=C(NCCc1cscn1)N1CCN(C(=O)[C@H]2CCCO2)CC1 159490352 OAHWQKAVZIKMMV-CYBMUJFWSA-N 338.433 0.718 70 20 ECID CC(C)(C)C(=O)N1CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC1 159726188 WSZFPNMLNZJOLT-UHFFFAOYSA-N 332.466 0.917 70 20 ECID Cc1cnc(CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)o1 1166871774 QVTJAVYBXKENEJ-UHFFFAOYSA-N 344.368 0.879 70 20 ECID COC(=O)[C@H](O)CNC(=O)c1cc(OC)ccc1Br 217685633 QFYJIIHGTOECQQ-SNVBAGLBSA-N 332.150 0.721 70 20 ECID CN(C)C(=O)c1ccccc1NCC(=O)NCC(=O)NC(C)(C)C 161225295 ISYBBMTUTVFPNY-UHFFFAOYSA-N 334.420 0.831 70 20 ECID CC[C@@H]1CN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C[C@@H](C)O1 160551224 LTJAASLYWJCUMP-JHJVBQTASA-N 337.424 0.948 70 20 ECID CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)nn1 160615801 CCFKDYVZDALEEZ-ZDUSSCGKSA-N 349.435 0.978 70 20 ECID C[C@H](c1cccc(F)c1)N1CCN(CC(=O)N2CCNC(=O)C2)CC1 159475120 KMBANOHWCIQIMW-CQSZACIVSA-N 348.422 0.463 70 20 ECID CC(C)CN(CC(N)=O)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 159719567 FPAFXSBORIUYGN-ZDUSSCGKSA-N 332.404 0.400 70 20 ECID CCN(C1CCN(C(=O)[C@@H](N)c2ccccc2)CC1)S(C)(=O)=O 159531357 NBXMQTFMOUBOOK-HNNXBMFYSA-N 339.461 0.959 70 20 ECID C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004486708 BVKJDZMQXMKRBZ-QMMMGPOBSA-N 342.352 0.021 70 20 ECID C#CCN1CCO[C@@](C)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1108220547 HMRZQSDYHIVXPK-AWEZNQCLSA-N 343.380 0.127 70 20 ECID CCOC[C@H](C(=O)OC)N(C)C(=O)c1ccc(S(=O)(=O)F)cc1 864242662 PRDOZMGNQVSQLR-GFCCVEGCSA-N 347.364 0.995 70 20 ECID C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCO 947726846 TWTVYWYHRFCBEQ-ZJUUUORDSA-N 333.385 0.248 70 20 ECID C=CCCN1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 958413383 OWDHJUSIYQFVSS-GWCFXTLKSA-N 345.396 0.272 70 20 ECID CCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 966030294 XZIRBDZBHGXHOH-GZMMTYOYSA-N 331.369 0.660 70 20 ECID CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 963579979 VUXHKDKECPEPLB-OLZOCXBDSA-N 343.380 0.898 70 20 ECID C=CCN1C[C@@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978717935 JZDHALNFNHYKNY-VXGBXAGGSA-N 327.381 0.767 70 20 ECID CCOCCN[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209679185 RFURKOZSXZEDDR-LLVKDONJSA-N 347.412 0.904 70 20 ECID CC(C)OC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1346318178 FHDHXSJIOOMWTD-SNVBAGLBSA-N 334.369 0.939 70 20 ECID CO[C@H](C)CNC/C=C/CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1754183825 QLQSHZHGOGUEDW-HMDXOVGESA-N 333.385 0.583 70 20 ECID COCCCN1CCC(NC(=O)CNC(=O)c2cccnc2)CC1 161184582 WJEFEXZHTIAOCF-UHFFFAOYSA-N 334.420 0.429 70 20 ECID C=C(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958413468 PAPTUGZMFCQHMQ-GXFFZTMASA-N 345.396 0.272 70 20 ECID CCC(=O)N1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 982308221 AGXZPMBGYLVQFK-SECBINFHSA-N 331.369 0.661 70 20 ECID Cc1ccc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nn1 1094126812 XNEZEZRRFLZTTR-UHFFFAOYSA-N 327.341 0.613 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CC[C@@H](n2cncn2)C1 1337515904 LPCMXHXARLGVQJ-GFCCVEGCSA-N 338.364 0.952 70 20 ECID C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1ccc(S(=O)(=O)F)cc1 1338168075 XAGHYEHCGHGMOU-IINYFYTJSA-N 342.392 0.918 70 20 ECID C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCc1cncn1C 1752901668 RCCGAXNKHWNIJG-VIFPVBQESA-N 343.384 0.315 70 20 ECID COCCCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1753112039 UTMLQPBWKWTOOQ-LLVKDONJSA-N 347.412 0.904 70 20 ECID CCN(C(=O)N[C@@H]1CCc2ncnn2C1)[C@@H](C)CS(=O)(=O)CC 161357261 PVDORABEGLNJPI-NWDGAFQWSA-N 343.453 0.448 70 20 ECID O=C(NCCn1cccc1)C(=O)Nc1ccc(N2CCNC2=O)cc1 160206893 HZHDSBRDHNSBJI-UHFFFAOYSA-N 341.371 0.773 70 20 ECID CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 160409345 MAZHIGBTAOZXDF-LLVKDONJSA-N 329.422 0.777 70 20 ECID O=C(NCCNCC(F)(F)C(F)F)c1cc(S(=O)(=O)F)c[nH]1 1133983060 XFTDWXWEBSWBGS-UHFFFAOYSA-N 349.281 0.893 70 20 ECID O=C(O)CN1CCC(NC(=O)c2cccc(S(=O)(=O)F)c2)CC1 1595078661 YRUVVYQPZIXPBM-UHFFFAOYSA-N 344.364 0.624 70 20 ECID CCNCC1CCN(C(=O)CCn2nc3ccccn3c2=O)CC1 161004596 CWOIFRCJTGDPMB-UHFFFAOYSA-N 331.420 0.734 70 20 ECID Cc1cccc(NC(=O)NCC(=O)N2C[C@H]3[C@@H](C2)OCCN3C)c1 159658089 OVVMTPACAQRTMB-LSDHHAIUSA-N 332.404 0.658 70 20 ECID CS(=O)(=O)N1CC[C@@H](CNC(=O)/C=C/c2cncc(F)c2)C1 159705941 ZEUPEAKFCRVYHS-JDGPPOGSSA-N 327.381 0.632 70 20 ECID CO[C@H](C)CN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141900 UJFGIRXOLPJNKO-MNOVXSKESA-N 347.412 0.902 70 20 ECID C#CCN1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C(C)(C)C1 975047501 JBUBELAOWBIPRW-LBPRGKRZSA-N 327.381 0.746 70 20 ECID C[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H](O)CN1CCCCC1 160250586 SZRFLACHBXQJEO-QWHCGFSZSA-N 339.461 0.829 70 20 ECID CC(=O)N1CCCc2ccc(S(=O)(=O)NC[C@H](C)CO)cc21 159699796 DNCQAVSCTGOBMB-NSHDSACASA-N 326.418 0.892 70 20 ECID C#CCN1CCC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1006002956 DWZRUXJTIZBVGD-UHFFFAOYSA-N 327.381 0.843 70 20 ECID O=C(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1ccccn1 1123524345 QHNRSZFYTZQGGL-UHFFFAOYSA-N 340.336 0.827 70 20 ECID C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1C(=O)C1CC1 990015196 DQLLKRJWTGJYGT-KCJUWKMLSA-N 343.380 0.802 70 20 ECID CO[C@@H]1CNC[C@H]1NC(=O)c1cc(S(=O)(=O)F)ccc1Cl 1579122104 RCTWQVLRRWLSKV-GHMZBOCLSA-N 336.772 0.715 70 20 ECID COC(=O)CNC(=O)CCN1CCC([C@@H](O)C(F)(F)F)CC1 161337303 OJDBBSYSQSQURD-GFCCVEGCSA-N 326.315 0.301 70 20 ECID CCC(=O)N1CC[C@H](C(=O)NC2CCN(CCCOC)CC2)C1 161452980 IKJCRCRCDPXVBS-AWEZNQCLSA-N 325.453 0.862 70 20 ECID O=S(=O)(NCc1cccc(F)c1)N1CCC2(CC1)OCCO2 160543475 SEELJLSZCJEEBE-UHFFFAOYSA-N 330.381 0.999 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)NCc2cn(C)nc2C(F)(F)F)C1 159683759 NTSMFLBOIYLDGA-SNVBAGLBSA-N 333.314 0.859 70 20 ECID O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(Br)n[nH]1 2088603903 YFGHOPQCVBSTQX-YFKPBYRVSA-N 341.162 0.191 70 20 ECID O=C(O)[C@@H]1CCN(C(F)(F)COS(=O)(=O)C(F)(F)F)C1 849343214 FSOASLZBPGOOET-RXMQYKEDSA-N 327.227 0.852 70 20 ECID C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938844546 DMRITZXXTZWWPS-BDAKNGLRSA-N 342.352 0.163 70 20 ECID C#CCCNC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1202531693 KXJLLQPQRDTXBU-UHFFFAOYSA-N 327.381 0.890 70 20 ECID CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1527564391 ANTMTNWGWZWFQG-MRVPVSSYSA-N 340.398 0.568 70 20 ECID COCCN(CCO)S(=O)(=O)c1cnn(-c2ccccc2F)c1 161015070 PTAIBISXDSGTTE-UHFFFAOYSA-N 343.380 0.641 70 20 ECID NC(=O)C[C@@H]1CCCN(C(=O)Nc2cc(-n3cnnn3)ccc2F)C1 159406234 ZEWFJYBKCGWYLK-JTQLQIEISA-N 347.354 0.921 70 20 ECID CC#CCN1CC[C@@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046627810 IVYAQOYFCSKFEE-CQSZACIVSA-N 327.381 0.890 70 20 ECID CCN(C[C@@H](C)O)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1155306467 ARKIJISGQVDILN-NXEZZACHSA-N 335.401 0.494 70 20 ECID Cc1c(NC(=O)C(=O)NCC(C)(C)C(N)=O)cnn1-c1ccccc1 160277339 LLMSNADJCCJSGK-UHFFFAOYSA-N 343.387 0.747 70 20 ECID Cc1ccc(CC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cn1 160479813 GPPUETHJMQWAJF-KGLIPLIRSA-N 325.434 0.767 70 20 ECID CC(=O)c1cc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)n(C)c1 160719032 MWNVICLPELVHPE-WCQYABFASA-N 341.433 0.675 70 20 ECID Cc1ccc(NC(=O)C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cn1 159926558 YMHKAGLONJQZEH-ZIAGYGMSSA-N 334.420 0.944 70 20 ECID C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1077690119 XQKPWQXQCJNUDY-VXGBXAGGSA-N 331.369 0.024 70 20 ECID CNS(=O)(=O)[C@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C1 161264548 HSEJJIBTFMKDPM-ZDUSSCGKSA-N 335.389 0.031 70 20 ECID Cc1nn(C)c2ncc(NC(=O)C(=O)NCCn3cccc3)cc12 160234781 GQVPKHBSGUFWIF-UHFFFAOYSA-N 326.360 0.833 70 20 ECID Cc1oc(C(=O)N(C)[C@H](C)CO)cc1S(=O)(=O)N1CCCC1 160412858 DZNVHCQKYXAZOL-SNVBAGLBSA-N 330.406 0.825 70 20 ECID COC[C@H](O)CNC(=O)C1CCC(NC(=O)C2CCCC2)CC1 159441556 KGDSWYKCGGUXDJ-YMAMQOFZSA-N 326.437 0.975 70 20 ECID O=S(=O)(N1CCOCC1)N1CCO[C@]2(CCc3ccccc32)C1 159772842 OVCCNVTXUMZSBQ-MRXNPFEDSA-N 338.429 0.737 70 20 ECID CC(C)N1C[C@@H](NC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O 217288065 VJONPNVWLKCITJ-NSHDSACASA-N 340.405 0.465 70 20 ECID Cn1cccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)F)cc1 865205205 BCRLPHGNLMJKHX-UHFFFAOYSA-N 325.321 0.758 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCN(C(C)=O)C1 942975408 WMTYKVJEXMMWHX-SNVBAGLBSA-N 331.369 0.756 70 20 ECID C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCCO 947726467 OQKRYTKSIMNLOW-GHMZBOCLSA-N 347.412 0.638 70 20 ECID CCC(=O)N(CC)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1079173525 YFUJFKKDXNAMLM-UHFFFAOYSA-N 331.369 0.756 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCN(CCO)CC1 997753898 FXPRRDXOUYGIFA-JTQLQIEISA-N 347.412 0.496 70 20 ECID O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(S(=O)(=O)F)c[nH]1 1346381214 LKDUYOPMENQZMY-VHSXEESVSA-N 331.369 0.266 70 20 ECID O=C1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@H]2N1 1521707473 ADHJGGPKFYLACT-WCBMZHEXSA-N 329.353 0.414 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCNC[C@@H]1C(F)F 1580570352 ZYIINHTYSUZFQP-LLVKDONJSA-N 336.335 0.953 70 20 ECID CC(=O)Nc1nc(C(=O)NC[C@@H](O)CN2CCCCC2)cs1 160398059 FPHQLEUTEIGDCD-LLVKDONJSA-N 326.422 0.678 70 20 ECID CN[C@@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)C1 160521664 RGKFXNOITBOLOW-LLVKDONJSA-N 328.210 0.821 70 20 ECID CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cnn(CC(C)C)c2)C1 160635833 KAYGYIKYZJUURH-GFCCVEGCSA-N 329.426 0.695 70 20 ECID COC[C@@H](O)CNS(=O)(=O)c1cnn(Cc2ccccc2)c1 160919887 LQMHJPCEXCXLDW-ZDUSSCGKSA-N 325.390 0.217 70 20 ECID CN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)C[C@H]1CCC[C@@H]1O 159572834 UADKZRWBNNDITL-ABAIWWIYSA-N 348.382 0.833 70 20 ECID COC(=O)CNC(=O)[C@@H](CCSC)NC(=O)Cc1ccccc1 217935296 ISYWIIVYMQCMST-CYBMUJFWSA-N 338.429 0.756 70 20 ECID C[C@@H]1CN(C(=O)COC(=O)c2ccc(S(=O)(=O)F)cc2)CCO1 838088299 RYRSFTLPULSCGA-SNVBAGLBSA-N 345.348 0.749 70 20 ECID CC(=O)NC1CC2(C1)CC(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1013934138 FKTWXHZPKNDIAN-UHFFFAOYSA-N 343.380 0.850 70 20 ECID CC(C)NC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1078470342 MUOISFXAMGMKOP-NSHDSACASA-N 347.412 0.902 70 20 ECID Cc1cc(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)ncn1 161460805 ZJCMJFSWASIFNT-OAHLLOKOSA-N 345.447 0.944 70 20 ECID NC(=O)NC1(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC1 160243426 OMAKOXQWUCUSSD-UHFFFAOYSA-N 349.410 0.265 70 20 ECID CCCCn1c(N)c(N(Cc2nncn2C)CC(C)C)c(=O)[nH]c1=O 160764907 LRVSSUKXEQMXFD-UHFFFAOYSA-N 349.439 0.710 70 20 ECID C[C@@H](Cn1cncn1)NC(=O)c1cccc(C(=O)N2CCCC2)n1 160856605 AIHUMEIIFUYFEC-LBPRGKRZSA-N 328.376 0.728 70 20 ECID COC(=O)Cn1cc(CCn2nc(-c3ccc(F)cc3)oc2=O)nn1 159502465 WDRSCFGCACFYLP-UHFFFAOYSA-N 347.306 0.650 70 20 ECID CCN1CCCN(C(=O)NC2CCN(CCN(C)C)CC2)CC1 159596950 RHSVRBUKHJXYMB-UHFFFAOYSA-N 325.501 0.750 70 20 ECID CN(C)CCN(C(=O)Nc1cccnc1)[C@@H]1CCS(=O)(=O)C1 217264728 BFLUJDULQWOZEP-CYBMUJFWSA-N 326.422 0.664 70 20 ECID C[C@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCS(=O)(=O)C1 864238789 UCKGNHXWJGSHIM-LBPRGKRZSA-N 335.378 0.652 70 20 ECID CCOC(=O)CN(C)C(=O)CN1CCC([C@@H](O)C(F)(F)F)CC1 161401226 RBLHIAIMORYBDK-CYBMUJFWSA-N 340.342 0.643 70 20 ECID C[C@H]1C[C@H](NC(=O)N2CCO[C@H](C(N)=O)C2)CN1Cc1ccccc1 160091934 DXSQGOUVWSPJRD-BPUTZDHNSA-N 346.431 0.545 70 20 ECID Cc1nn(C)c(C)c1CC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 160238014 HIUFKQIIBXRMGS-TZMCWYRMSA-N 342.465 0.414 70 20 ECID Cc1cc(NC(=O)CCCS(=O)(=O)N2CCCC2)c[nH]c1=O 159637912 CXKHMLQETGIGPZ-UHFFFAOYSA-N 327.406 0.828 70 20 ECID CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C[C@@H]2CCC[C@@H]2O)C1 159520607 WDCIGAHVBUYPAC-ZNMIVQPWSA-N 326.437 0.881 70 20 ECID N#CCN1CCC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1001836776 OECBSBTZLNQECF-UHFFFAOYSA-N 328.369 0.638 70 20 ECID CC(=O)N1CC[C@H](C)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1005282169 OUYWRTOOWZWABZ-QPUJVOFHSA-N 331.369 0.660 70 20 ECID C[C@@H]1CN(CCCO)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 942861267 WQRUIDRQYIZBGY-PWSUYJOCSA-N 347.412 0.496 70 20 ECID CC(C)(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1(O)CCOCC1 1123830714 XOUFAXYFDCFOIS-UHFFFAOYSA-N 348.396 0.970 70 20 ECID C[C@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 966024237 OOLNUEXVHHRFAM-UFBFGSQYSA-N 343.380 0.660 70 20 ECID CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 979945357 SFZRSSWVPXCICJ-ZMLRMANQSA-N 343.380 0.660 70 20 ECID Cn1cc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cn1 160407991 QBBITWBAAXYABS-NSHDSACASA-N 343.391 0.760 70 20 ECID C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1027581394 DWNCUOUNHHJBMD-LLVKDONJSA-N 327.381 0.843 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(Cc2ccon2)C1 1043895621 HFFVOBCUMIVVOP-UHFFFAOYSA-N 342.352 0.617 70 20 ECID Cn1nccc1[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1355078985 XTKJPJKHJNKSEE-LBPRGKRZSA-N 342.352 0.620 70 20 ECID COCCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1754823377 XRVCWAFWHIJVOJ-WDEREUQCSA-N 347.412 0.617 70 20 ECID O=C(CN1C(=O)CCc2ccccc21)NC[C@@H](O)CN1CCCCC1 160466489 AZVIAQRPDKMDJA-MRXNPFEDSA-N 345.443 0.929 70 20 ECID CC(C)[C@@H](CCO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 160566567 ZLMNEVBOYLPUBU-TZMCWYRMSA-N 332.404 0.848 70 20 ECID COc1ccccc1-n1cc(S(=O)(=O)NC[C@@H](C)CO)cn1 159699372 CXJWJRGUEFNHFQ-LLVKDONJSA-N 325.390 0.788 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCN(C[C@H](C)O)C1 1033954312 SBIMAMGYPZAZIG-QWRGUYRKSA-N 347.412 0.590 70 20 ECID O=C(Cn1nnc(-c2ccccc2)n1)NC[C@@H](O)CN1CCCCC1 160395871 ZUIZYPSRHOIBOT-OAHLLOKOSA-N 344.419 0.303 70 20 ECID CCOCCC1(CNC(=O)CN2CCS(=O)(=O)CC2)CCC1 160698040 LMAVKEMSCCAAQC-UHFFFAOYSA-N 332.466 0.430 70 20 ECID O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H](CO)C1 160914671 CXOGHLUAGULCFP-DLBZAZTESA-N 333.432 0.911 70 20 ECID Cn1ccc(NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)n1 159451299 QQRHFXXLKLUKPO-UHFFFAOYSA-N 343.391 0.278 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1CCCN(C(N)=O)C1 159949443 VUIRZJIZCCOYCZ-AWEZNQCLSA-N 340.468 0.594 70 20 ECID CCN1CCCN(C(=O)N[C@H]2CCc3nc(COC)nn3C2)CC1 159977843 REORJCSIZDWGLJ-ZDUSSCGKSA-N 336.440 0.477 70 20 ECID CC(C)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1010381096 XESTWCFIQLCKAF-UHFFFAOYSA-N 331.369 0.613 70 20 ECID C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1012333004 PFJMSTFYJMEDKP-SECBINFHSA-N 342.352 0.117 70 20 ECID CC(=O)N1C[C@@H]2[C@@H](CC[C@H]2NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 979548090 HHMCARATSBJWTD-MVWJERBFSA-N 343.380 0.660 70 20 ECID O=C(O)CC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOCC1 1608679626 BSOJIENDDVIBDL-UHFFFAOYSA-N 348.352 0.674 70 20 ECID CN(C)C[C@@](C)(O)CNS(=O)(=O)c1ccc2c(c1)N(C)CCC2 161408335 FNECYDKQGVZFTR-INIZCTEOSA-N 341.477 0.660 70 20 ECID CCC(=O)c1cccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)c1 161500271 ZEADAAFRPULAHA-HNNXBMFYSA-N 328.434 0.870 70 20 ECID Cc1noc(CCCC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)n1 160370677 KCIZIKSDZVIOBD-NEPJUHHUSA-N 344.437 0.535 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1CCN3CCCC[C@@H]3C1)CC2 160593593 HNXRTYFHAQLPQH-ZIAGYGMSSA-N 348.451 0.619 70 20 ECID CN(C)CCCNC(=O)NCCCN1C(=O)c2ccccc2C1=O 217306152 BYBBNLFGBPMXSR-UHFFFAOYSA-N 332.404 0.924 70 20 ECID O=C1C[C@@H](C(=O)NCc2ccccc2Br)NC(=O)N1 217132200 KTZUMZOMJXPTND-VIFPVBQESA-N 326.150 0.663 70 20 ECID C#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1079044580 IAAKTSSXMNGUGT-MPKXVKKWSA-N 339.392 0.889 70 20 ECID COC(=O)CN(CC(=O)OC)C(=O)c1cccc(S(=O)(=O)F)c1 1338391292 ZOIUYNFMBKSACE-UHFFFAOYSA-N 347.320 0.133 70 20 ECID NC(=O)N1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1263790982 GJCAOVIPOBSEMF-MRVPVSSYSA-N 332.357 0.193 70 20 ECID COC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CC1CC1 1346848552 JDBNKMYBQADHAK-VIFPVBQESA-N 332.353 0.992 70 20 ECID COC(=O)CN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)F)cc1C 1598861503 CTRDHFMASQNJIS-UHFFFAOYSA-N 347.320 0.353 70 20 ECID CN(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CCS(=O)(=O)C1 161120346 JMLQIUFONIVFKA-RVMXOQNASA-N 328.434 0.773 70 20 ECID CCN(C[C@H]1CCN(C(=O)NCC(=O)N(C)C)C1)CC(F)(F)F 161324311 QLHJJJNCDOPBLF-LLVKDONJSA-N 338.374 0.990 70 20 ECID O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCc1cccc(O)c1 160168148 NLUHKAJUMJXTQF-RMHZUWNSSA-N 340.379 0.858 70 20 ECID Cc1noc(CCCC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)n1 160370973 KCIZIKSDZVIOBD-VXGBXAGGSA-N 344.437 0.535 70 20 ECID O=S(=O)(NC[C@@H](O)COCC1CC1)C1Cc2ccccc2C1 160658535 OTCPWIFZZCEUCE-OAHLLOKOSA-N 325.430 0.861 70 20 ECID O=C1CC[C@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)N1 159803024 IFFUVEFVAPLXNE-NEPJUHHUSA-N 339.754 0.979 70 20 ECID Cc1ccc(-c2nnn(CC(=O)N3C[C@@H](CO)OC[C@@H]3C)n2)cc1 159891579 DUWNSBPRYKUJGD-JSGCOSHPSA-N 331.376 0.257 70 20 ECID COC[C@@H](O)CNC(=O)c1nnn(-c2cccc3cccnc23)c1C 159506045 VKTPHEGXIACSSW-ZDUSSCGKSA-N 341.371 0.861 70 20 ECID C=CCN1CC2(C[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CO2)C1 1053927092 RVXJEBZZYGVGSJ-JTQLQIEISA-N 343.380 0.432 70 20 ECID C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1010078963 WUALXILPDKBVIV-MWLCHTKSSA-N 343.380 0.613 70 20 ECID C#CCCN1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961786171 FQVLYZJWNVLZHS-QWRGUYRKSA-N 325.365 0.356 70 20 ECID CCOCCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1479964230 QTGVALZALNXZJX-NSHDSACASA-N 347.412 0.904 70 20 ECID CNC[C@@H]1CCCN1C(=O)CS(=O)(=O)NC1CCC(C)CC1 161378465 OPLOVXQLHWCWQK-RUXDESIVSA-N 331.482 0.695 70 20 ECID O=C(NCC1CN(C(=O)C2CCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1004488677 IXWSIFZKSISDTA-UHFFFAOYSA-N 343.380 0.661 70 20 ECID COC(=O)N1CCC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1338961109 UZBJPPCHKBROOF-UHFFFAOYSA-N 347.368 0.881 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCc2nnc(O)cc2C1 1346318696 GOIWWWNGHDFKOH-UHFFFAOYSA-N 326.309 0.367 70 20 ECID Cc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)ncn1 161353449 FDRKZQRSIOBGEO-UHFFFAOYSA-N 344.375 0.478 70 20 ECID COc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1Cl 161454449 JVSZXRFNNJLLGI-ZDUSSCGKSA-N 336.841 0.940 70 20 ECID CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H](C(=O)OC)C1)CC2 160056650 CTLGQSIQSUGMIC-VXGBXAGGSA-N 335.408 0.750 70 20 ECID NC(=O)c1ccc(CNC(=O)N2CCN(Cc3ccccn3)CC2)o1 160569123 MKIQYZJLWLTTDT-UHFFFAOYSA-N 343.387 0.801 70 20 ECID CS(=O)(=O)NCCNC(=O)N1CCc2c(F)cc(F)cc2C1 159513193 PIJRHOIVXHDMAI-UHFFFAOYSA-N 333.360 0.582 70 20 ECID C#CCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1036196378 VMKHPXJETPRMFT-JQWIXIFHSA-N 327.381 0.746 70 20 ECID CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)C1 217288434 IEBNCFNRPJLIBQ-OLZOCXBDSA-N 325.409 0.980 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H](c2nnc(O)o2)C1 1123727226 JEYIPNZQEQUACC-SSDOTTSWSA-N 344.324 0.781 70 20 ECID COCCCN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1215571900 YQTUMJJXARNPKK-ZWNOBZJWSA-N 347.412 0.760 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1CNCC#N 1185168915 KKJVSBJOQKOWRF-GHMZBOCLSA-N 342.396 0.884 70 20 ECID CN(C(=O)Cc1ccc(S(=O)(=O)F)cc1)[C@@H]1CCS(=O)(=O)C1 1337795042 JIRHNDSVEXRQNW-LLVKDONJSA-N 349.405 0.533 70 20 ECID O=S(=O)(F)c1ccc(N2CCC(N3CC[C@H](O)C3)CC2)nc1 1550627916 CQBRDCWFMBECNX-LBPRGKRZSA-N 329.397 0.775 70 20 ECID CC(C)(C)C(=O)NCCCC(=O)NC[C@@H](O)CN1CCCCC1 160052923 OUDPRAXCCXNURZ-CQSZACIVSA-N 327.469 0.892 70 20 ECID O=C(NCCc1cccc(O)c1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 160196233 HVMCAXIOQXMZME-UHFFFAOYSA-N 326.312 0.290 70 20 ECID COC[C@@H](O)CCNC(=O)C(=O)Nc1ccccc1Br 159503846 VXWCZJQTVSLBAD-VIFPVBQESA-N 345.193 0.901 70 20 ECID N#C[C@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460090934 GSBQAVLFEKHHJA-VIFPVBQESA-N 334.350 0.258 70 20 ECID Cc1ccoc1C(=O)NCCCNS(=O)(=O)c1cnn(C)c1 160268186 UPALXJLGOGCWES-UHFFFAOYSA-N 326.378 0.420 70 20 ECID Cn1c(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cccc1=O 160683076 IKHBTXVROBHWKM-ZDUSSCGKSA-N 329.356 0.899 70 20 ECID C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCc1ccc(C(=O)NCC(N)=O)cc1 160986107 WKZBOYQIEDBHAB-IOASZLSFSA-N 332.448 0.720 70 20 ECID CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 217282759 VBKFLSDKZUYKPI-LLVKDONJSA-N 347.418 0.367 70 20 ECID CO[C@@H](C)CN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008547746 QQBXWQONUMUTCN-WDEREUQCSA-N 347.412 0.902 70 20 ECID CC(C)C(=O)NC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 992402360 AODXYXVRMVSKIV-UHFFFAOYSA-N 345.396 0.954 70 20 ECID COC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)F)cc1C)C(=O)OC 1338751663 HOCHDTXFCGKHMY-CQSZACIVSA-N 347.364 0.961 70 20 ECID O=C(O)Cn1cnc(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)n1 1595157937 JBOHJCQRZKFCFS-UHFFFAOYSA-N 342.308 0.202 70 20 ECID C[C@@H]1CN([C@@H]2CCCN(c3ccccc3F)C2=O)C[C@H](C(N)=O)O1 161235423 OBMNJYXVAJSPLI-KCPJHIHWSA-N 335.379 0.896 70 20 ECID CC(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1017882025 DGQISELAPCKAQD-WCBMZHEXSA-N 331.369 0.802 70 20 ECID CC#CCN[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209678907 OHGZHIRSONOGMP-NSHDSACASA-N 327.381 0.890 70 20 ECID O=C(NCCNCc1nncs1)c1cc(S(=O)(=O)F)c[nH]1 1133981576 UIGQOAWVFYJLAO-UHFFFAOYSA-N 333.370 0.044 70 20 ECID COCCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1C 1071827805 DLZQTVJRZPCRRT-QWRGUYRKSA-N 347.412 0.902 70 20 ECID CC(=O)N1C[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@]2(C)C1 993446705 SBTYJXSBCOODGF-YGRLFVJLSA-N 343.380 0.613 70 20 ECID Cc1ccc(S(N)(=O)=O)c(C(=O)N(C)C[C@@H]2CCC[C@H]2O)c1 161335511 JJDYXLNZRMUSAM-WCQYABFASA-N 326.418 0.875 70 20 ECID CN(C)C(=O)NCCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 160805868 VIEPBFOAYQMJSB-UHFFFAOYSA-N 331.380 0.875 70 20 ECID CCNC(=O)CN1CCN(C(=O)c2c(F)cc(F)cc2F)CC1 159915078 UVSWSIPUPADKJQ-UHFFFAOYSA-N 329.322 0.998 70 20 ECID COC[C@@H](O)CCNC(=O)Cn1cc(Br)ccc1=O 161453542 ORKZUUYIMKLAPU-JTQLQIEISA-N 333.182 0.124 70 20 ECID CC[C@H](CN1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)OC 1038710945 RTQDEDWRGADIJO-GHMZBOCLSA-N 347.412 0.902 70 20 ECID N#CCN1CC[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 1042238705 WYVGKALHBVBKST-MFKMUULPSA-N 340.380 0.733 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H](N2CCOCC2)C1 1349612575 ZUFRQXUHZVGNMA-NSHDSACASA-N 345.396 0.610 70 20 ECID C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@]1(O)CCOC1 160004265 WUPINGUSNJRIQZ-QILLFSRXSA-N 333.432 0.958 70 20 ECID CNC(=O)CCCN(C)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 160639074 YIZRJYCUNBALPJ-UHFFFAOYSA-N 331.380 0.961 70 20 ECID CCN(C(=O)[C@@H](C)Nc1cc(C)n(C)n1)[C@H]1CCS(=O)(=O)C1 159629273 CHLVIPQIBRPSQW-NEPJUHHUSA-N 328.438 0.565 70 20 ECID CC(=O)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1019500874 IMBTWYDNGHDZIX-SNVBAGLBSA-N 347.368 0.040 70 20 ECID Nc1c(O)nc(O)nc1C(=O)Nc1cccc(S(=O)(=O)F)c1 769661011 BJLGOFICUZALRY-UHFFFAOYSA-N 328.281 0.381 70 20 ECID CCN(CCOC)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1155306893 NGOMOCCNICLTPG-SNVBAGLBSA-N 335.401 0.760 70 20 ECID CCOCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1481706583 VOYADKVJPVUVJQ-SNVBAGLBSA-N 333.385 0.514 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CC(=O)N(Cc2ccco2)C1 160303442 DHJDMLDINWIISC-LSDHHAIUSA-N 349.431 0.591 70 20 ECID CCCCS(=O)(=O)N1CCC(C(=O)N2CC[C@H](NC)C2)CC1 160567381 SSPZATZDXKPRKM-AWEZNQCLSA-N 331.482 0.649 70 20 ECID CN(CC(=O)N(CCC(N)=O)Cc1ccccc1)C[C@H]1CCC[C@@H]1O 159664662 BYSKRUGQJRUQIS-SJORKVTESA-N 347.459 0.983 70 20 ECID CCC(=O)N1CC[C@@H](NC(=O)NCc2c(CC)c(CC)n[nH]c2=O)C1 159972341 DSCQWVLIEANEOB-LLVKDONJSA-N 349.435 0.705 70 20 ECID CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1cnn(C)c1 159879289 RZHBRARFIDKJTB-CQSZACIVSA-N 339.417 0.618 70 20 ECID C#CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 947727564 YZVJZUSSCDKPIU-MNOVXSKESA-N 327.381 0.889 70 20 ECID CC(C)[C@@H](F)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999957039 SPJSHNPDRMRGIC-LLVKDONJSA-N 349.359 0.608 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOC[C@H]1[C@H]1CCCO1 1349531441 DMLLCQZOIAOXLL-NWDGAFQWSA-N 332.353 0.693 70 20 ECID CN(C)c1ncc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1C 1519147946 YVTDAYSAUDWEBE-UHFFFAOYSA-N 329.357 0.402 70 20 ECID Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@@H]1O 161100398 WGDAYBZLFIBAFG-KKUMJFAQSA-N 333.367 0.934 70 20 ECID C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CC[C@@H](N)C1)C2=O 160285901 SGRQMGFAJIWSLU-QFSBIZTOSA-N 336.436 0.683 70 20 ECID C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@]3(C)CCNC3)cn2)C[C@@H](C)O1 160710026 DURJRDYORQUWEK-PBFPGSCMSA-N 349.435 0.457 70 20 ECID CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(NCC2CC2)CC1 159822793 HLYLJLREPFMAMB-IUODEOHRSA-N 345.509 0.941 70 20 ECID C[C@@H]1C[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164551 WULYWRVRRVFINK-WCABBAIRSA-N 343.380 0.660 70 20 ECID CCCN1CCCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1073769440 HGVPCJCKKMJNBY-LLVKDONJSA-N 347.412 0.904 70 20 ECID O=C(NCCCNCC[C@H]1CCCO1)c1cc(S(=O)(=O)F)c[nH]1 1166871475 GKJBRRDFDPXRHM-LLVKDONJSA-N 347.412 0.952 70 20 ECID O=C(NC1CC1)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346641209 BWPNSXBIQQJYSY-VIFPVBQESA-N 344.368 0.349 70 20 ECID CN(C)[C@]1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCSC1 1263716701 KTANITGUGLTHJG-LBPRGKRZSA-N 335.426 0.840 70 20 ECID COC[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 159509632 QENGGZLMDUXFHA-GXFFZTMASA-N 326.780 0.816 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)CCn2c(=O)n(C)c3ccccc32)C1 159378080 ONTXWHXAUXWOJK-CYBMUJFWSA-N 330.388 0.467 70 20 ECID O=S(=O)(F)c1ccc(S(=O)(=O)N2CCCn3ncnc32)cc1 460098194 VXOZUZYDSOGMPK-UHFFFAOYSA-N 346.365 0.535 70 20 ECID COC(=O)c1cccc2c1N(CCS(=O)(=O)F)[C@H](C)C(=O)N2 883954433 NDMGORAICXNMKS-MRVPVSSYSA-N 330.337 0.920 70 20 ECID O=C(N[C@H]1C[C@H](NC(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 972876886 IHIQEUKXYYCHST-KYZUINATSA-N 329.353 0.460 70 20 ECID COc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)ccc1S(=O)(=O)F 1594050838 OUSIIIKNEKGDCA-SECBINFHSA-N 347.320 0.279 70 20 ECID CNC[C@H]1CCCN1C(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C 161203287 WEVAGGJMYUAUOU-GFCCVEGCSA-N 331.420 0.631 70 20 ECID Cc1ccc(S(=O)(=O)N(CCOCCO)CCN(C)C)c(F)c1 161305874 XRNPWUYDEICFRY-UHFFFAOYSA-N 348.440 0.695 70 20 ECID C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cnc(N2CCN(C)CC2)nc1 159622842 FCKLSMFBEHRZEP-HIFRSBDPSA-N 332.452 0.314 70 20 ECID CC[C@@](C)(CO)NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 159375881 WRYDPMULYORLNA-HNNXBMFYSA-N 344.481 0.930 70 20 ECID C#CCN(C)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1027581398 DWNCUOUNHHJBMD-NSHDSACASA-N 327.381 0.843 70 20 ECID CN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3ncncc3C2)cc1 218053508 WJSPIOBIQSQLRJ-UHFFFAOYSA-N 346.412 0.925 70 20 ECID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CN(C)CCN1C 1123690056 RZEXZPWKMUPISX-SKDRFNHKSA-N 332.401 0.037 70 20 ECID O=C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]2CCCC[C@@H]2N1 1123650177 YUDHXLUJHXMXPB-GXSJLCMTSA-N 329.353 0.556 70 20 ECID C[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CCO 1071828256 LVRWJSMEHINODP-UWVGGRQHSA-N 333.385 0.248 70 20 ECID Cc1ccnc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1094126617 PMEIZMXRVRPZAR-UHFFFAOYSA-N 327.341 0.613 70 20 ECID O=S(=O)(F)c1ccc(N2CC[C@H]3[C@H]2CCCN3CCO)nc1 1551207413 XGFANKFQGNNBNH-QWHCGFSZSA-N 329.397 0.775 70 20 ECID COC[C@H](O)CCNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 161179635 JFEVZNZXVQZGOI-DLBZAZTESA-N 348.443 0.981 70 20 ECID O=C(NCC1CCN(CCO)CC1)c1cccc(-n2cccn2)n1 160578113 NJFZZJWTMBMGPD-UHFFFAOYSA-N 329.404 0.701 70 20 ECID COC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(-n2cccn2)c1 159789859 NULVHBUBTTYRAX-OAHLLOKOSA-N 328.372 0.736 70 20 ECID CC(C)C(=O)N1CC([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1006902423 MDLMQLOHPWVZNX-VIFPVBQESA-N 345.396 0.906 70 20 ECID CC(=O)N1CC2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)C1 945059635 QUWCSNFEKKZABD-UHFFFAOYSA-N 343.380 0.757 70 20 ECID C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 161001978 DVMNJVRGRWXSGG-FVQBIDKESA-N 335.448 0.757 70 20 ECID CNC(=O)COc1cccc(CC(=O)N(C)Cc2cnn(C)c2)c1 161233746 ZZSAUYDIPJJTLI-UHFFFAOYSA-N 330.388 0.746 70 20 ECID Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@H]3CN)C2=O)cc1 160159874 NVFIVHLDEWWHKF-KSSFIOAISA-N 344.415 0.712 70 20 ECID CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1c(F)cccc1F 160171145 ZMNBYCYUXMKURO-VIFPVBQESA-N 339.385 0.914 70 20 ECID Cn1cc(-c2nc(C(=O)NCC3CCN(CCO)CC3)cs2)cn1 160562242 FWILEBQVMXTPDI-UHFFFAOYSA-N 349.460 0.978 70 20 ECID CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1scnc1C 160607525 MOUOXPFKHOTXTI-LLVKDONJSA-N 331.463 0.577 70 20 ECID COC[C@H](O)CNC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 159385436 WTTXHEORZMWCFI-GHMZBOCLSA-N 328.800 0.620 70 20 ECID CC(=O)N1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1022737479 IXLAUNVFGQVYNH-JOYOIKCWSA-N 329.353 0.366 70 20 ECID C#CCCN1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028809468 WRUUYYJIQJQCNC-NSHDSACASA-N 327.381 0.748 70 20 ECID NCC1(O)CCN(C(F)(F)COS(=O)(=O)C(F)(F)F)CC1 852752082 OWFBFIPOEWYBRP-UHFFFAOYSA-N 342.286 0.231 70 20 ECID N#CCN1CC[C@]2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 1041685272 GYNUXQWRRBHTKT-AWEZNQCLSA-N 340.380 0.734 70 20 ECID Cc1nc([C@H](C)NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n[nH]1 1133981343 OJRFEFIBYLWCBO-ZETCQYMHSA-N 344.372 0.180 70 20 ECID CCN(C(=O)CNC(=O)CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 159448971 ICJVYEJRCGBQKV-CYBMUJFWSA-N 330.450 0.719 70 20 ECID COC(=O)Cn1cc(CCn2c(-c3cccs3)noc2=O)nn1 159650717 PNISDGPRLOCPEL-UHFFFAOYSA-N 335.345 0.572 70 20 ECID COC(=O)Cn1cc(CCn2nnc(-c3cccc(F)c3)n2)nn1 159381456 WPKJYHLKVJHEGI-UHFFFAOYSA-N 331.311 0.486 70 20 ECID COCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)F)cc2)CC1=O 275009739 WUXHZRUZEWASFI-SNVBAGLBSA-N 344.364 0.778 70 20 ECID O=C(N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C(F)F 939015279 ILTBDZQIKVLRTB-ZCFIWIBFSA-N 339.295 0.269 70 20 ECID N#CCN1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@H]21 1036823476 IFFPYNNGKQKXLC-GXFFZTMASA-N 340.380 0.733 70 20 ECID CC(C)CN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1083785972 CRMINNBWAGHYRB-NEPJUHHUSA-N 333.385 0.104 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1CC 159554001 KUBLVNYVYTXLQE-JTQLQIEISA-N 347.419 0.457 70 20 ECID O=C(NC1CN(C[C@@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030971885 ABITVUVBTHXOLW-VIFPVBQESA-N 331.369 0.123 70 20 ECID O=C(NCc1cc2n(n1)CCCO2)c1cc(S(=O)(=O)F)c[nH]1 1123827944 CLZSBJKUQDQDPR-UHFFFAOYSA-N 328.325 0.582 70 20 ECID CO[C@@H](C)CNC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1202531749 NOPOXKVXNCRWAG-JTQLQIEISA-N 347.412 0.902 70 20 ECID CC(C)[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)N1CCN(C)CC1 160134025 WXRUSECJCOHMFU-WBVHZDCISA-N 326.485 0.815 70 20 ECID COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](O)CN2CCCCC2)c1C 160375100 XUGMJJYMHQBVBE-CYBMUJFWSA-N 337.420 0.995 70 20 ECID Cc1cnn(CCC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c1 160438749 PWRDKNZLPVCWOV-CHWSQXEVSA-N 328.438 0.416 70 20 ECID O=S(=O)(NC[C@@H](O)COCC1CC1)c1c[nH]c2ncccc12 160710252 DHIIFYSVMHXBEQ-LLVKDONJSA-N 325.390 0.629 70 20 ECID O=C(CNC(=O)c1ccco1)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 160754093 FZDUJXCJYMDNQI-GJZGRUSLSA-N 349.431 0.894 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1CO)CC2 160879682 JHZOXASFPUXENM-JHJVBQTASA-N 337.424 0.590 70 20 ECID COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 159375124 SYECPNPUXDNTNG-ARFHVFGLSA-N 332.400 0.331 70 20 ECID COc1cncnc1NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460098893 YEEUQSSIQKDIAI-UHFFFAOYSA-N 347.349 0.944 70 20 ECID N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1049727227 IIXJKNCUJWRFOB-QWHCGFSZSA-N 340.380 0.875 70 20 ECID NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cnc(-c3ccccc3)nc2)O1 161025648 FOZXLYWXPJHCKO-KBPBESRZSA-N 326.356 0.906 70 20 ECID Cc1cc(C[C@@H](C)NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n[nH]1 161326215 PMNQASKCPRUEQK-JDNHERCYSA-N 333.392 0.486 70 20 ECID CCCNC(=O)CCNC(=O)c1cccc(C(=O)N2CCCC2)n1 161371830 IXEJDSNHKLBQTK-UHFFFAOYSA-N 332.404 0.964 70 20 ECID Cc1c(NC(=O)C(=O)NC[C@H](O)CN(C)C)cnn1-c1ccccc1 160138739 BYKWPZXNXAIFEG-AWEZNQCLSA-N 345.403 0.158 70 20 ECID C[C@H](NC(=O)CCC(=O)N1CCN(c2ccccc2)CC1)C(N)=O 160185867 QNENVLAHMNAEPL-ZDUSSCGKSA-N 332.404 0.105 70 20 ECID Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3nncn3C)CC2)c1 160682083 WOQYECGOXDGZPM-UHFFFAOYSA-N 349.460 0.938 70 20 ECID CN(C(=O)c1cccc(S(=O)(=O)F)c1)[C@@H]1CCS(=O)(=O)C1 1337726365 NKZQXQDVKATVKG-SNVBAGLBSA-N 335.378 0.604 70 20 ECID CCN(CC)S(=O)(=O)CCNC(=O)c1cnc2c(c1)ncn2C 160417464 LCPRYOSHHJTFQU-UHFFFAOYSA-N 339.421 0.370 70 20 ECID CC[C@H](CCO)NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 159437698 HLMWBFKCSYCHQY-MRVPVSSYSA-N 340.854 0.957 70 20 ECID COc1cc(NC(=O)NCCN2CCNCC2)cc(OC)c1OC 217268224 MCKUDRCFBXHNMK-UHFFFAOYSA-N 338.408 0.739 70 20 ECID Cc1nccc(N(C)CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1100330338 NGKIZIJMFDVRMU-UHFFFAOYSA-N 341.368 0.638 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 955455096 FJUQCIJAWRWXFJ-PSASIEDQSA-N 331.369 0.802 70 20 ECID Cc1ccc(-n2ccnc2)c(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1 160987906 BAGYFMJBRFDXLH-DOMZBBRYSA-N 328.372 0.943 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 159673042 VUKLWMTYZHXXEE-HZPDHXFCSA-N 329.400 0.772 70 20 ECID CNS(=O)(=O)c1cccc([C@H](C)NCCN(C)CCOC)c1 159378681 IXRXCDBYLXOYEC-ZDUSSCGKSA-N 329.466 0.824 70 20 ECID CN1CCN(C(=O)NCCCN2C(=O)c3ccccc3C2=O)CC1 217306085 SOVSLULWGASXBJ-UHFFFAOYSA-N 330.388 0.630 70 20 ECID CC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 946074230 UDANKBGNDXQGKV-ONGXEEELSA-N 331.369 0.708 70 20 ECID C[C@H](CCS(C)(=O)=O)NC(=O)c1cccc(S(=O)(=O)F)c1 1340081470 BVUYHIOFBMCNJE-SECBINFHSA-N 337.394 0.898 70 20 ECID CCN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 216633826 YIIOKQXDEWIALS-RWMBFGLXSA-N 330.450 0.717 70 20 ECID C/C=C(\C)C(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942442333 MEBUOBBAIWVGPA-OTVCUZDGSA-N 343.380 0.970 70 20 ECID COCCC(=O)NCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1075230077 ACBRWBUFDCJAAL-VIFPVBQESA-N 349.384 0.334 70 20 ECID O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1338390752 SNBZPQJMHPGQAU-RNCFNFMXSA-N 332.353 0.741 70 20 ECID CN(CCNC(=O)NC[C@H]1CCCS1(=O)=O)c1ccccc1 160218763 BZROPSNPAKVVEZ-CQSZACIVSA-N 325.434 0.999 70 20 ECID CC#CCN1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]2C1 1049067761 VGBMRXXFKYGJRC-TXEJJXNPSA-N 339.392 0.700 70 20 ECID O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(Br)n[nH]1 1974055288 OZIDPJOHJYKWKO-UHFFFAOYSA-N 341.162 0.048 70 20 ECID O=C(OCCN1C(=O)CCC1=O)c1ccc(S(=O)(=O)F)cc1 490538226 YWOJMYSKHUVXPU-UHFFFAOYSA-N 329.305 0.651 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]2CCN(CCO)[C@H]2C1 1042238394 SNHLWCQIPMIKLD-MFKMUULPSA-N 345.396 0.202 70 20 ECID CO[C@@H](C)CN1CC[C@@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046627701 HZGYAPRHZFTNFB-IINYFYTJSA-N 347.412 0.902 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C(C)(C)CN1CCOCC1 1121094559 FYFZNPGSTMUCGM-UHFFFAOYSA-N 347.412 0.856 70 20 ECID COC[C@H](C)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 950561683 GGJKJKJOKDRKDZ-JTQLQIEISA-N 333.385 0.466 70 20 ECID CC#CCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1179549711 GZKZSIPTYZGOBD-JQWIXIFHSA-N 327.381 0.889 70 20 ECID CN1CCN(CC2CN(c3ccc(S(=O)(=O)F)cn3)C2)CC1 1550631635 YGJPBEBJMPJGBQ-UHFFFAOYSA-N 328.413 0.423 70 20 ECID C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CC[C@@H](N)C1)C2=O 160286287 SGRQMGFAJIWSLU-XWCIJXRUSA-N 336.436 0.683 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cn[nH]c2C1 160475035 POBJNIATUAEGOG-NQBHXWOUSA-N 340.449 0.349 70 20 ECID CN(Cc1cccn1C)C(=O)COCC(=O)N(C)Cc1cccn1C 160617731 UMNYDSBUZLQPIV-UHFFFAOYSA-N 346.431 0.997 70 20 ECID C[C@H](CCO)CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 160983231 WZYXIILSKUCYFY-LLVKDONJSA-N 326.418 0.757 70 20 ECID CC(=O)N1CC[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 953447282 ZGALTXJVBPJYMD-GXFFZTMASA-N 343.380 0.756 70 20 ECID N#CCN[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C12CCC2 1078728320 GTDLEGCLRKJDLM-NWDGAFQWSA-N 340.380 0.827 70 20 ECID C[C@H](O)CNCCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1175317889 SVPBUIMZPLAZBX-QWRGUYRKSA-N 349.428 0.932 70 20 ECID O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1338390749 SNBZPQJMHPGQAU-NOZJJQNGSA-N 332.353 0.741 70 20 ECID Nc1ncc2c(n1)CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1527976940 LBKAFSDEMYJQEM-UHFFFAOYSA-N 325.325 0.244 70 20 ECID CNC(=O)COc1cccc(CC(=O)N(C)Cc2nccn2C)c1 160201016 BTVHPVUULRWCCY-UHFFFAOYSA-N 330.388 0.746 70 20 ECID CN1CCC(NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 160420608 CGKXUDGKWUCALS-KRWDZBQOSA-N 330.388 0.565 70 20 ECID CN[C@H]1CCN(C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)C1 160769236 BUJIQZFJLJPUJK-AWEZNQCLSA-N 348.447 0.424 70 20 ECID COC[C@@H](O)CCNC(=O)CNC(=O)c1ccccc1C(F)(F)F 160872867 LEVNVAVZRZCDCT-JTQLQIEISA-N 348.321 0.949 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@@H]([C@H]2CCCO2)C1 1123648568 MFVQNVQBONIEEH-VXGBXAGGSA-N 332.353 0.693 70 20 ECID CCN1CC2(C[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CO2)C1 1053926681 LEYGUHTZYDXBIQ-VIFPVBQESA-N 331.369 0.266 70 20 ECID C#CCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C 1071828536 QAWXCCLWTCNXLY-MNOVXSKESA-N 327.381 0.889 70 20 ECID O=C(NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CC=CC1 990586878 MPVNDGOEFCKLDO-UHFFFAOYSA-N 341.364 0.580 70 20 ECID CC[C@](C)(O)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 160285607 WQCJXNSBNVVUSL-AWEZNQCLSA-N 327.406 0.316 70 20 ECID CCC(=O)N1CCC[C@@H](C(=O)NCC2CCN(CCO)CC2)C1 160711731 AXVAAQJVMVPFOS-OAHLLOKOSA-N 325.453 0.456 70 20 ECID O=C(CCCNC(=O)c1cccnc1)NCCCN1CCOCC1 160942229 CFIBYILPMUVXNF-UHFFFAOYSA-N 334.420 0.430 70 20 ECID CN(CC(=O)NC[C@@H](O)CN1CCCCC1)C(=O)c1cccs1 159975147 OMPIGIYZLLTQPS-CYBMUJFWSA-N 339.461 0.783 70 20 ECID COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)F)cc1 838087902 KVYZPDYDEYRSMF-QMMMGPOBSA-N 347.320 0.179 70 20 ECID O=C(N[C@H]1C[C@H](NC(=O)C2CCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 972879006 NINJIFRUNWSBRB-MGCOHNPYSA-N 343.380 0.850 70 20 ECID O=C(NC[C@H]1CCN(C(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 982322227 HOSNBHUPBNLTIZ-SECBINFHSA-N 343.380 0.661 70 20 ECID C#CCN1CCCC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 982020294 WKHHPIBLDOTWEL-UHFFFAOYSA-N 339.392 0.844 70 20 ECID C[C@H](O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1085335812 PZDIXLDLKHWAMT-MVWJERBFSA-N 347.412 0.684 70 20 ECID Cc1nc(CC(C)C)c(NC(=O)C(=O)NCC(=O)N(C)C)s1 161139919 VKEJJKOAVMSMHN-UHFFFAOYSA-N 326.422 0.793 70 20 ECID O=C1CCC(=O)N1CCNC(=O)C1(c2ccccc2)CCNCC1 160041398 XICABUSMTKWCRP-UHFFFAOYSA-N 329.400 0.573 70 20 ECID O=C1CNC(=O)N1CCN1CCCC[C@H]1c1nnc2n1CCCC2 160614762 DNJSYGUXMFQKPJ-LBPRGKRZSA-N 332.408 0.693 70 20 ECID C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(Cc3nncn3C)CC2)C1 160721920 NPRAKTQYHORADZ-GJZGRUSLSA-N 334.468 0.437 70 20 ECID CCN(CC(C)(C)O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 160812286 HHNBNSHNENFODI-NSHDSACASA-N 325.413 0.542 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)C1 159412046 GVYSIXNQNCOVQE-MSOLQXFVSA-N 344.459 0.712 70 20 ECID CC(=O)N1CC[C@@]2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 953026317 JSWYSTNZIIITCZ-CQSZACIVSA-N 343.380 0.757 70 20 ECID CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 959303504 ZGRIHADGQFFMSH-SCZZXKLOSA-N 331.369 0.517 70 20 ECID CS(=O)(=O)CCCCNC(=O)c1ccc(S(=O)(=O)F)cc1 891976175 KDEAVKFPWNAKLI-UHFFFAOYSA-N 337.394 0.899 70 20 ECID C#CCN1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1076256238 QIGYQCQVZLZMTR-GXFFZTMASA-N 325.365 0.452 70 20 ECID C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](O)Cc1ccccc1 160963269 ITRAGQMYWWWDCQ-YUTCNCBUSA-N 326.418 0.465 70 20 ECID O=C1C[C@H](Cc2ccc(C(=O)N3C[C@@H]4CCC[C@H](C3)N4)cc2)C(=O)N1 159657355 LLMHCUWBLWKSGX-HRCADAONSA-N 341.411 0.858 70 20 ECID COc1ccc(CCNC(=O)NCCN2CCNCC2)cc1OC 217308008 DDTGOFQJVKRBAR-UHFFFAOYSA-N 336.436 0.451 70 20 ECID C[C@H]1[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1C(=O)C1CC1 1011357306 DQLLKRJWTGJYGT-GZMMTYOYSA-N 343.380 0.802 70 20 ECID COC[C@H](C)N1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141093 FWHSLNRCIGTWNH-QWRGUYRKSA-N 347.412 0.902 70 20 ECID CN(CCNc1cc(F)ncn1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1101955394 IWHNBFCEKPKVBS-UHFFFAOYSA-N 345.331 0.786 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCN(CCCO)C1 1033952730 CVJQBYPKXKGXRU-NSHDSACASA-N 347.412 0.592 70 20 ECID COCC(=O)N1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 949715962 DFSGDRWEYIHFFZ-SECBINFHSA-N 347.368 0.040 70 20 ECID O=C(NC[C@H]1CCN1C(=O)C1CCC1)c1cc(S(=O)(=O)F)c[nH]1 952164317 RALPKRQHKDGUHE-SNVBAGLBSA-N 343.380 0.804 70 20 ECID CN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)ccc2Cl)C1=O 1338080379 SMZHAMHPLXISAJ-SNVBAGLBSA-N 334.756 0.959 70 20 ECID CC1(C(=O)N[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1 938078721 HVUJMQNQMZEOHN-VIFPVBQESA-N 343.380 0.804 70 20 ECID O=C(N[C@@H]1[C@H]2C[C@H]1N(CCCF)C2)c1cc(S(=O)(=O)F)c[nH]1 1037584701 LKKRUPOWGZUEDW-XXILOJSOSA-N 333.360 0.835 70 20 ECID Cc1nc(CN2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)co1 1030972058 JZZMFVWDDVWAIZ-UHFFFAOYSA-N 342.352 0.584 70 20 ECID CC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 959280272 CFFKRPRJLGHUME-SCZZXKLOSA-N 331.369 0.660 70 20 ECID CC(=O)N1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 965197125 DPFGNLONVYSBIG-JTQLQIEISA-N 331.369 0.804 70 20 ECID CC1CCC(NC(=O)CN2CCN([C@@H](C)C(=O)N(C)C)CC2)CC1 161071294 GJDDUFWRGODTQE-PCKAHOCUSA-N 338.496 0.776 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 161368477 LALLPPSILYAABO-HZPDHXFCSA-N 334.416 0.857 70 20 ECID Cn1cnnc1C1CCN(C(=O)CS(=O)(=O)C(C)(C)C)CC1 159805891 FKXOQMDBOPQAER-UHFFFAOYSA-N 328.438 0.734 70 20 ECID C#CCN1CC[C@@]2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 1041686613 NIXCCFGDCBZYSB-OAHLLOKOSA-N 339.392 0.844 70 20 ECID O=C1C[C@@H](C(=O)NCc2cc(Br)cs2)NC(=O)N1 217213413 KGEIJEYERJDILZ-ZETCQYMHSA-N 332.179 0.725 70 20 ECID CC(C)C(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 948095790 DSSKZYRSJPABOU-JFUSQASVSA-N 343.380 0.658 70 20 ECID C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCO 947726843 TWTVYWYHRFCBEQ-NXEZZACHSA-N 333.385 0.248 70 20 ECID CCC(=O)N1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]2C1 959770029 FKDIQWNGMVKJJV-AOOOYVTPSA-N 343.380 0.613 70 20 ECID O=C(N[C@H]1[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21)C1CC1 976028753 JRWUSNFEOWCQFL-IAZYJMLFSA-N 341.364 0.270 70 20 ECID CO[C@H]1C[C@@H](c2nncn2C)N(c2ccc(S(=O)(=O)F)cn2)C1 1550623490 WXTMBYQZPQWSOD-ONGXEEELSA-N 341.368 0.835 70 20 ECID C[C@H](C(=O)N(C)Cc1cccn1C)N1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 160498277 NUBMLVAQCCFVIL-NZNQWUEYSA-N 345.399 0.534 70 20 ECID C[C@H](NC(=O)N1CCN(Cc2ccccn2)CC1)[C@H]1CN(C)CCO1 160837161 FPUSQJAVZRSXCB-DOTOQJQBSA-N 347.463 0.628 70 20 ECID O=S(=O)(C[C@H]1CCCCO1)N1CCC(Cn2ccnn2)CC1 159472457 NSNCTLFYACOZJU-CQSZACIVSA-N 328.438 0.889 70 20 ECID O=C1C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CCN1 159682614 KCMXSERESIJNKD-INIZCTEOSA-N 331.416 0.661 70 20 ECID Cc1cc(C[C@H](C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)n[nH]1 159697991 DTBAAMBWANZWME-CABZTGNLSA-N 330.454 0.729 70 20 ECID O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(CCO)C2)c1cc(S(=O)(=O)F)c[nH]1 1047146734 KXQATLHIIXLGOI-DCAQKATOSA-N 345.396 0.248 70 20 ECID C#CCNCC1(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1167258271 VYAACAWNAWZGDG-UHFFFAOYSA-N 327.381 0.796 70 20 ECID CN1C[C@H](NC(=O)Cc2ccc(S(=O)(=O)F)cc2)CCC1=O 1349190759 MEKHADRHSHGQIW-LLVKDONJSA-N 328.365 0.624 70 20 ECID COC(CN1CCCN(Cc2nc([C@@H](C)OC)no2)CC1)OC 161446494 LOYXRWHSCNJFAA-GFCCVEGCSA-N 328.413 0.904 70 20 ECID CCC[C@@H](NC(N)=O)C(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 160170088 GZCNZURHFCWGAE-ILXRZTDVSA-N 340.468 0.708 70 20 ECID CCNC(=O)c1ccc(NC(=O)C(=O)NCCn2cccc2)cc1 160229549 XITPAOPQWNVYBL-UHFFFAOYSA-N 328.372 0.993 70 20 ECID CN1CCO[C@H](CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 160879249 SZEYFPJSKFEHRE-CQSZACIVSA-N 330.392 0.934 70 20 ECID Cc1cc(=O)n2nc(NS(=O)(=O)Cc3cccc(F)c3)[nH]c2n1 160919701 CGNURBPORMZSBB-UHFFFAOYSA-N 337.336 0.807 70 20 ECID NC(=O)C1(CNC(=O)CCCc2nc(C3CC3)no2)CCOCC1 159709198 MHKRGVGRNFWTIW-UHFFFAOYSA-N 336.392 0.668 70 20 ECID CN(c1cccnn1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460097797 URQBOXXLIICILM-UHFFFAOYSA-N 331.350 0.960 70 20 ECID CC[C@@H](F)C(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938851129 YKUZFJKQDLMWMR-WCBMZHEXSA-N 349.359 0.752 70 20 ECID O=C(N[C@@H]1CCCCN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1034403251 DGLAYDXXXBFFGI-SNVBAGLBSA-N 333.385 0.250 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC2(CCCN(CCO)C2)C1 982019612 COHQBQYMQCJIAY-UHFFFAOYSA-N 345.396 0.203 70 20 ECID CCC(CC)(CN)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 161264859 GRWIYNXVUBFPCI-UHFFFAOYSA-N 338.496 0.908 70 20 ECID COC[C@H](O)CCNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 161478282 FHGDJMHDWXMEEU-CVEARBPZSA-N 340.395 0.713 70 20 ECID CN(C)C(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1 160324461 PFYGDIHGJUBHLD-MRXNPFEDSA-N 333.432 0.965 70 20 ECID CC(C)Cn1cnc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)c1 160821288 CKPGNALHRDOPHT-UHFFFAOYSA-N 344.481 0.616 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCS(=O)(=O)C1 1350747444 LAEQJJBHPGLOMY-MRVPVSSYSA-N 338.382 0.322 70 20 ECID O=C(OCC(=O)N1CCNC1=O)c1ccc(S(=O)(=O)F)cc1 838088431 WFOGEJVJQBVMHQ-UHFFFAOYSA-N 330.293 0.053 70 20 ECID CO[C@H](C)CN1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1003642464 AUNUCDKJIHTYFZ-SNVBAGLBSA-N 347.412 0.902 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@]1(C)CNCCO 1182644485 DWPFNKHLWIOQPK-QMTHXVAHSA-N 347.412 0.353 70 20 ECID C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1518263882 VFENGNNZBMVZRU-VGMNWLOBSA-N 331.369 0.753 70 20 ECID CS(=O)(=O)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1521205957 KKCQYBYMIBCTPP-UHFFFAOYSA-N 338.382 0.322 70 20 ECID CC1CCC(NC(=O)CN2CCN([C@H](C)C(=O)N(C)C)CC2)CC1 161071416 GJDDUFWRGODTQE-HWOWSKLDSA-N 338.496 0.776 70 20 ECID NS(=O)(=O)N1CCC(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CC1 161455970 IGIHFHBXTRIXSG-OAGGEKHMSA-N 349.456 0.604 70 20 ECID Cn1cnc(S(=O)(=O)N2CCC(Cn3ccnn3)CC2)c1Cl 159456113 RPJAILWCFLLCSF-UHFFFAOYSA-N 344.828 0.766 70 20 ECID O=C(N[C@H]1C[C@@H](NCc2cnon2)C1)c1cc(S(=O)(=O)F)c[nH]1 1022730611 RDCZDGMVWRTRNP-OCAPTIKFSA-N 343.340 0.107 70 20 ECID O=C(N[C@@H]1CC12CCN(CCO)CC2)c1cc(S(=O)(=O)F)c[nH]1 1016827804 ZKSMVWQUSSGGHM-GFCCVEGCSA-N 345.396 0.250 70 20 ECID C/C=C(/C)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1010956231 XEEHRLUZCWKSEQ-KMKOMSMNSA-N 343.380 0.924 70 20 ECID O=C(N[C@H]1CCN(Cc2cnon2)C1)c1cc(S(=O)(=O)F)c[nH]1 1015716044 NLVBELISRPFNHL-QMMMGPOBSA-N 343.340 0.060 70 20 ECID CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1337520014 NCBDJAGWLDUOGR-SSDOTTSWSA-N 326.371 0.226 70 20 ECID COC(=O)CN(C)C(=O)CCN1CCC([C@@H](O)C(F)(F)F)CC1 161338667 YJDTYLAOYKTJKO-CYBMUJFWSA-N 340.342 0.643 70 20 ECID CC(C)n1nccc1C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 160887245 YDTWIWBKNMEFHX-ZDUSSCGKSA-N 333.436 0.889 70 20 ECID CNC(=O)c1ccc(CN2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 159401250 APJPMLPRFLCDHE-KRWDZBQOSA-N 344.459 0.960 70 20 ECID C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@H](O)C(C)(C)C 159596220 UEWYMJOEVOAMMB-UWVGGRQHSA-N 334.463 0.938 70 20 ECID CCc1nnc(S)n1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123616120 DXCKADSBVIIZFO-UHFFFAOYSA-N 347.397 0.546 70 20 ECID CNC[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 161226871 JQMTWJOJPVMTGR-RYUDHWBXSA-N 343.424 0.703 70 20 ECID CN1C[C@@H](NS(=O)(=O)c2cnn(-c3ccccc3)c2)CCC1=O 160057464 UVRMDVHEAULQKT-LBPRGKRZSA-N 334.401 0.771 70 20 ECID CC[C@@H](O)CCNC(=O)NCc1ccc(N2CCN(C)CC2)nc1 160872892 JQUXFKPWTRPGCW-OAHLLOKOSA-N 335.452 0.794 70 20 ECID C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1010078976 WUALXILPDKBVIV-ONGXEEELSA-N 343.380 0.613 70 20 ECID CO[C@@H](C)CN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033430169 PWIHLLFKQVIPQU-QWRGUYRKSA-N 347.412 0.854 70 20 ECID CCCN1C[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O 1347349710 JAHAWXPAOOTSOA-SECBINFHSA-N 331.369 0.661 70 20 ECID CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2N(C)C)C1 161443652 PFTJPYCXOXOKIA-GFCCVEGCSA-N 332.404 0.818 70 20 ECID CCc1nn(C)c(Cl)c1C(=O)NC[C@H]1CCCN1S(C)(=O)=O 160127150 VAUPKANGBPQJEW-SECBINFHSA-N 348.856 0.790 70 20 ECID O=C(CNC(=O)N1CCCN(CC(F)F)CC1)N1CCCCC1 160328258 REZXZQPQEKLQHU-UHFFFAOYSA-N 332.395 0.981 70 20 ECID CN(C(=O)N[C@@H]1CCN(C2CCCC2)C1)[C@@H]1CCS(=O)(=O)C1 160905436 YPSTXBHJJOIQBN-TZMCWYRMSA-N 329.466 0.832 70 20 ECID CC(C)N1C[C@H](NC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O 217289091 HKQBAFMPDNKLDK-CYBMUJFWSA-N 348.403 0.756 70 20 ECID Cc1ccc(NC(=O)CN2CCC(=O)NC2=O)cc1S(=O)(=O)F 857675405 MKHOHXDAQRKBAF-UHFFFAOYSA-N 343.336 0.534 70 20 ECID CCC(=O)N1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 944776869 MWOWFJXYMMXHHY-VIFPVBQESA-N 347.368 0.040 70 20 ECID Cc1conc1NC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 161163631 JQMCYSYVMXNYGB-CYBMUJFWSA-N 336.392 0.492 70 20 ECID NC(=O)[C@H]1CC[C@H](CNC(=O)c2cccnc2N2CCCCC2)O1 161213893 BHUSUNQRSUQYPH-TZMCWYRMSA-N 332.404 0.835 70 20 ECID NCCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 160006453 DRBFSVPOHFWEPG-AWEZNQCLSA-N 325.434 0.695 70 20 ECID C[C@@H](CN1CCOCC1)NC(=O)N[C@H](C)c1nnc2n1CCCC2 160595856 ORYHZGOBIUOJHV-QWHCGFSZSA-N 336.440 0.695 70 20 ECID CC[C@H](F)C(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938851130 YKUZFJKQDLMWMR-WPRPVWTQSA-N 349.359 0.752 70 20 ECID CC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 952630498 OUHXOFBSDGQQQF-PHIMTYICSA-N 343.380 0.898 70 20 ECID CC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 965419861 MROSJLJAORCLBP-GFCCVEGCSA-N 343.380 0.804 70 20 ECID CC(C)(CS(C)(=O)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1337520181 TXIUBZNBXWDYOP-UHFFFAOYSA-N 326.371 0.226 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)NCCO[C@H]1CCOC1 1339050378 YMZZIIIAUYIROR-LBPRGKRZSA-N 331.365 0.809 70 20 ECID O=C(NC[C@@H](C(=O)O)[C@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1601457373 SZIVVJWNLDLMQX-IONNQARKSA-N 334.325 0.140 70 20 ECID C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1756482872 CTUUWFQLICAFSC-QXEWZRGKSA-N 345.396 0.906 70 20 ECID Cc1ccc(CCC(=O)NCC(=O)N2CCCC[C@@H]2C(N)=O)cc1 160070442 GIQYIVXRBSOQMP-OAHLLOKOSA-N 331.416 0.910 70 20 ECID O=C(CNC(=O)NCc1ccco1)N[C@@H]1c2ccccc2C[C@H]1O 159815070 RNMGNTWZPMTGOR-GDBMZVCRSA-N 329.356 0.853 70 20 ECID C[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 161394921 JHYQPIWMKMTAJE-YPMHNXCESA-N 330.392 0.437 70 20 ECID O=C(CC1CC1)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 939064699 CUVLMNZMTIFUJK-SNVBAGLBSA-N 343.380 0.804 70 20 ECID C[C@H](O)CN1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1023590846 HTOYSETUWDPREN-WDEREUQCSA-N 347.412 0.496 70 20 ECID O=C(N[C@@H]1CCN(C(=O)C(F)F)C1)c1cc(S(=O)(=O)F)c[nH]1 942442625 UTDJYNCCJKZXGM-ZCFIWIBFSA-N 339.295 0.269 70 20 ECID CCCCN1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 958413483 PKALFKXIVXSMDC-GWCFXTLKSA-N 347.412 0.496 70 20 ECID CN(C(=O)C(C)(C)F)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 953517209 YYFIMMVSRJLPTH-UHFFFAOYSA-N 349.359 0.704 70 20 ECID C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1CNCC#N 1133124592 BONBXMJFPTZDCJ-WDEREUQCSA-N 342.396 0.884 70 20 ECID C[C@@H](O)CN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C(C)(C)C1 975044465 AZNHTWRGDVRMHZ-BXKDBHETSA-N 347.412 0.494 70 20 ECID CC[C@H](C)CN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1083786323 TZGJBJQLRABBPN-BIMULSAOSA-N 347.412 0.494 70 20 ECID O=C(COC(=O)c1cccc(S(=O)(=O)F)c1)NC[C@@H]1CCCO1 1335167695 UHARIQACSQNVJP-NSHDSACASA-N 345.348 0.797 70 20 ECID Cc1ccc(CCC(=O)NCC(=O)N2CCCC[C@H]2C(N)=O)cc1 160070558 GIQYIVXRBSOQMP-HNNXBMFYSA-N 331.416 0.910 70 20 ECID CN1CCN(c2ccc(CNC(=O)N3CCC[C@](C)(O)C3)cn2)CC1 160096074 OSKGXZSONGGRHW-SFHVURJKSA-N 347.463 0.890 70 20 ECID C[C@@H](NC(=O)Cc1cccc(I)c1)C(N)=O 160176333 FTYSMFTVUWWQMM-SSDOTTSWSA-N 332.141 0.824 70 20 ECID C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(-n2cnnn2)cc1 160609400 XKIRYRVWWDDEFE-SECBINFHSA-N 328.298 0.991 70 20 ECID CCC(=O)N1CCC[C@H](C(=O)NCC2CCN(CCO)CC2)C1 160711606 AXVAAQJVMVPFOS-HNNXBMFYSA-N 325.453 0.456 70 20 ECID C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCCO 947726469 OQKRYTKSIMNLOW-QWRGUYRKSA-N 347.412 0.638 70 20 ECID C=C(C)CN1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 961785452 DPTXVOZLGZUQRX-GHMZBOCLSA-N 327.381 0.909 70 20 ECID Cn1cnnc1[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346318056 CQMUHBZGVCMXOT-SNVBAGLBSA-N 327.341 0.779 70 20 ECID CS(=O)(=O)N1CC[C@@H](CNC(=O)c2cccc(-c3ncn[nH]3)c2)C1 160123173 OEGFHPYDUFQFRS-NSHDSACASA-N 349.416 0.483 70 20 ECID CNC(=O)CCCN(C)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 160641209 XUEWAIQEAZZEMY-UHFFFAOYSA-N 331.380 0.961 70 20 ECID C[C@H]1CCC[C@@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 159363153 XDNGNOQVSURBOG-JKSUJKDBSA-N 337.464 0.816 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC2(CC1)CN(CCO)C2 1035799468 SQMOVGXXAVFMAX-UHFFFAOYSA-N 345.396 0.203 70 20 ECID C#CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1CC 1087728169 HSSRZUBQMQSPNJ-WCQYABFASA-N 327.381 0.889 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCOC[C@@H]1C(=O)O 1594328381 PVUGVHWIGFDIPQ-LLVKDONJSA-N 331.321 0.579 70 20 ECID Cn1c(=O)n(CC(=O)NC[C@@H](O)CN2CCCCC2)c2ccccc21 160333446 YJLFTCKEKRTURN-CQSZACIVSA-N 346.431 0.303 70 20 ECID CS(=O)(=O)Nc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 217282761 VBKFLSDKZUYKPI-NSHDSACASA-N 347.418 0.367 70 20 ECID O=C(NC1CN(C(=O)C2CCCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 999952737 OGFZGTDOCOQEBO-UHFFFAOYSA-N 343.380 0.804 70 20 ECID Cc1cnn(Cc2cc(C(=O)N3CCC[C@H]3C(=O)N(C)C)no2)c1 161054912 FAWQBJNDIYDXHT-AWEZNQCLSA-N 331.376 0.921 70 20 ECID NCCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 160133405 YBTZVMFCPIVZMI-UHFFFAOYSA-N 325.434 0.940 70 20 ECID C=CCCN1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035509454 DLRBFSGJWGLPGQ-LLVKDONJSA-N 345.396 0.680 70 20 ECID C=CCN1CC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CCO2 1053433923 QIWYMAUJAWVJPQ-UHFFFAOYSA-N 343.380 0.386 70 20 ECID C#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 1026360392 LDTQPXQSRBIULT-WCFLWFBJSA-N 339.392 0.746 70 20 ECID O=C(NC[C@H]1CCN(CCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1028808720 NNMQKGRCYRXYRE-SNVBAGLBSA-N 333.385 0.107 70 20 ECID C[C@H]1CC[C@H](CN2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)O1 1030972136 NPLMBNVEKDPLAB-GXSJLCMTSA-N 345.396 0.654 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2CCNC(=O)[C@H]2C(C)C)c1CC 160339087 DCKGQAZVDBLLQQ-CQSZACIVSA-N 349.435 0.561 70 20 ECID CC(=O)N[C@H](C(=O)N(C)CC(C)(C)CN1CCOCC1)C(C)C 159646861 MEPQQRGLDSTARD-HNNXBMFYSA-N 327.469 0.964 70 20 ECID O=C(NC[C@H]1CCCS1(=O)=O)N1CCN(c2ccccn2)CC1 159867692 PYBTWRGAVQXDPF-CYBMUJFWSA-N 338.433 0.490 70 20 ECID CCC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 1011338112 FYKIJVPWJQAXSU-WPRPVWTQSA-N 331.369 0.802 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCN(C[C@H](C)O)C1 1033954313 SBIMAMGYPZAZIG-WDEREUQCSA-N 347.412 0.590 70 20 ECID O=C(N[C@@H]1CCCC[C@H]1NCCO)c1cc(S(=O)(=O)F)c[nH]1 1085335548 BMIAHFUCBNOHET-GHMZBOCLSA-N 333.385 0.296 70 20 ECID COCCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 993825931 PLTCEGSBLNKFLQ-CMPLNLGQSA-N 347.412 0.902 70 20 ECID C[C@H](CS(C)(=O)=O)NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337755541 DITZFKDBUZNTEP-SECBINFHSA-N 337.394 0.437 70 20 ECID CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCc2nc(COC)nn2C1 161032400 NXBPEWLXWMCZRZ-STQMWFEESA-N 337.424 0.950 70 20 ECID CC1(C(=O)NN2CC(=O)NC2=O)CCN(Cc2ccccc2)CC1 161350356 MRURSJGAQVRLFF-UHFFFAOYSA-N 330.388 0.872 70 20 ECID Cn1ccnc1N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1123742790 LLEWXNBLMIJSRM-UHFFFAOYSA-N 341.368 0.369 70 20 ECID CC(=O)N1CC[C@H]([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958985912 GFSICMUKMBVWAZ-WPRPVWTQSA-N 331.369 0.660 70 20 ECID O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1351577108 BYUVTIXEDMGQKP-PWSUYJOCSA-N 344.364 0.883 70 20 ECID CN(C)S(=O)(=O)c1cc(C(=O)N2CCOCC23CCC3)co1 161191048 JBVDMGXYQBJBEE-UHFFFAOYSA-N 328.390 0.925 70 20 ECID CCC(CC)(CN)C(=O)N1CCN(c2ccc3nncn3n2)CC1 161286273 WIPXCMRNSDUKRN-UHFFFAOYSA-N 331.424 0.538 70 20 ECID C[C@H](NC(=O)CN1CCC([C@H](O)C(F)(F)F)CC1)C(=O)N(C)C 161345727 BODDIEXECYFHLF-CABZTGNLSA-N 339.358 0.215 70 20 ECID CN(C)C[C@@](C)(O)CNS(=O)(=O)c1c(F)cc(F)cc1F 161440263 HQXNMHJIKRCLAV-LBPRGKRZSA-N 326.340 0.695 70 20 ECID CC(=O)NCCCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C 160219937 SFVVURFLXBBOJB-UHFFFAOYSA-N 343.387 0.762 70 20 ECID COc1ccc(C(F)(F)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 160920009 CLPOTEDAFPFLNJ-UHFFFAOYSA-N 348.371 0.891 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N(CCN(C)C)C(C)C)CC2 159615158 LYSWHOUIZBIVHK-ZDUSSCGKSA-N 338.456 0.721 70 20 ECID Cc1ccc(CCC(=O)NCC(=O)N2C[C@H]3[C@@H](C2)OCCN3C)cc1 159715790 KQQNNISXIAIRLQ-DLBZAZTESA-N 345.443 0.585 70 20 ECID CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@@H]1CCN(C(C)=O)C1 159550859 NKIHMLVYCPWHGS-YUELXQCFSA-N 338.452 0.944 70 20 ECID C[C@@H]1[C@H](NC(=O)C2CC2)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1012080403 VOBGPDDOMMNTOL-LDYMZIIASA-N 343.380 0.802 70 20 ECID CC1(C)C[C@H]1C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999950877 AQQVMAABJHBTPO-JTQLQIEISA-N 343.380 0.660 70 20 ECID CC1(C)C[C@H]1C(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 990887295 WDHYAAHCKXEBKL-JTQLQIEISA-N 343.380 0.660 70 20 ECID Cc1ccc(S(=O)(=O)N(CCOCCO)CCN(C)C)c(C)c1 161301254 VZOTUOWHCPKRAC-UHFFFAOYSA-N 344.477 0.865 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CCc1cccnc1 160518380 QINNJAXSDNCMIM-KGLIPLIRSA-N 325.434 0.848 70 20 ECID CS(=O)(=O)c1ccccc1C(=O)NC[C@@H](O)CN1CCCCC1 160601702 OBTPCXMEJXPQAW-CYBMUJFWSA-N 340.445 0.667 70 20 ECID Cn1cnnc1CN1CCN(CC(=O)N2CCc3ccccc32)CC1 160797097 CGURVFCZNRNWKO-UHFFFAOYSA-N 340.431 0.522 70 20 ECID CCn1c(=O)n(CC(=O)N[C@@H]2CCN(C(C)=O)C2)c2ccccc21 159491783 GLLKPIGIPHXJJO-CYBMUJFWSA-N 330.388 0.560 70 20 ECID C[C@H](CNc1cc(F)ncn1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1108114027 AVWUYQXDVHPOFF-SSDOTTSWSA-N 345.331 0.832 70 20 ECID O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1338390754 SNBZPQJMHPGQAU-TVQRCGJNSA-N 332.353 0.741 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCCn2nnnc21 1354979296 DTBWCYJHGUAXMO-UHFFFAOYSA-N 325.325 0.311 70 20 ECID N#CCN(CC(=O)O)C(=O)CCc1ccc(S(=O)(=O)F)cc1 1601069144 GYWLMHVJAAYDBN-UHFFFAOYSA-N 328.321 0.714 70 20 ECID CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(C)nc2)CC1 161228969 NQRSHIQMJKJZMY-CQSZACIVSA-N 347.463 0.718 70 20 ECID O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CC(O)C2)C1 161422222 XFTACDBYRHWOTG-AWEZNQCLSA-N 332.400 0.897 70 20 ECID Cc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)nn1-c1ccc(F)cc1F 160126191 FHENHGUXSMXKQU-UHFFFAOYSA-N 334.286 0.800 70 20 ECID O=C(NCC1CCN(CCO)CC1)c1cc2c([nH]c1=O)CCCC2 160680132 SNGLVELCLUOZKB-UHFFFAOYSA-N 333.432 0.688 70 20 ECID COC[C@@H](O)CCNC(=O)c1nc2ncc(Br)cn2n1 160907908 XQSWYUOHYMSHCF-QMMMGPOBSA-N 344.169 0.014 70 20 ECID C#CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 942861004 WLPAXHJTYQTCAV-PWSUYJOCSA-N 327.381 0.746 70 20 ECID COC[C@@H](C)S(=O)(=O)N1CCN(Cc2cccc(O)c2)CC1 160779704 ITJOFVKLNZXZDB-CYBMUJFWSA-N 328.434 0.875 70 20 ECID Cc1ccc(N2CC[C@@H](NC(=O)CNC[C@H]3CCCO3)C2=O)cc1 160924566 CICYLZFKQJGSCR-HZPDHXFCSA-N 331.416 0.985 70 20 ECID COC[C@H](O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 159466988 ARMBAJNZZTZDJJ-CJNGLKHVSA-N 333.388 0.339 70 20 ECID NC(=O)NC(=O)C1CCC(NC(=O)Cn2ncc3ccccc32)CC1 159547271 QBAHJIDLPJDTFG-UHFFFAOYSA-N 343.387 0.906 70 20 ECID CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 946316762 IEMZWHASEPVQCI-KOLCDFICSA-N 331.369 0.708 70 20 ECID CO[C@H](C)CN1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 981977398 GGMNDBOWANJJHZ-LLVKDONJSA-N 347.412 0.856 70 20 ECID O=C(N[C@H](CO)Cc1ccc(O)cc1)c1cc(S(=O)(=O)F)c[nH]1 1346642336 RBNKZVVTLHXBEG-JTQLQIEISA-N 342.348 0.712 70 20 ECID CN1C(=O)NCC12CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1520006603 IWVAACIPOFGJKF-UHFFFAOYSA-N 344.368 0.303 70 20 ECID CCN(CC)CCN(CCOC)C(=O)C(=O)Nc1nocc1C 161076320 GOQCMBRMEAMUCR-UHFFFAOYSA-N 326.397 0.738 70 20 ECID Cn1cc(C2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)cn1 161232591 LDHXYELWLHIVIE-AWEZNQCLSA-N 329.408 0.916 70 20 ECID Cc1ccc(C)n1-c1c(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cnn1C 161450328 JMNJHRVSYWCSKS-JSGCOSHPSA-N 345.403 0.590 70 20 ECID C[C@]1(O)CCCN(C(=O)NCc2cccnc2N2CCOCC2)C1 160243333 ORRAWYBXHQGNEZ-KRWDZBQOSA-N 334.420 0.975 70 20 ECID O=C1C[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CCN1 159673830 JLEHLDFABYGDCZ-HZPDHXFCSA-N 331.416 0.530 70 20 ECID CC(C)(C)c1nsc(N2CCN(CCS(N)(=O)=O)CC2)n1 159744147 ZSJXIIIXIIRBLL-UHFFFAOYSA-N 333.483 0.246 70 20 ECID CCCN1CCN(C(=O)c2nc(C)oc2C)[C@@H]2CS(=O)(=O)C[C@@H]21 216679077 LLKHSAHFBNRXFL-QWHCGFSZSA-N 341.433 0.625 70 20 ECID C[C@@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN(CCCO)C1 1046627555 HLYZECYKDFUVRS-CYBMUJFWSA-N 333.385 0.250 70 20 ECID C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CCS(=O)(=O)F)C1=O 883953875 OJYJWKXEVKOXLT-VIFPVBQESA-N 328.321 0.838 70 20 ECID CCS(=O)(=O)CCNC(=O)Cc1ccc(S(=O)(=O)F)cc1 1121074455 VCNXXSMLQPLHCA-UHFFFAOYSA-N 337.394 0.438 70 20 ECID Cc1c(C(=O)N2CCCN(C(N)=O)CC2)cnn1C1CCOCC1 160080269 BZQMCNYTAPVIRW-UHFFFAOYSA-N 335.408 0.770 70 20 ECID Cc1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(N(C)C)n1)CC2 160586863 WUVVDTZXJRCNSX-ZDUSSCGKSA-N 329.408 0.862 70 20 ECID COC[C@H](C)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015719474 NTZFKXQMNXXLEK-VHSXEESVSA-N 333.385 0.512 70 20 ECID CC(=O)N[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1014656873 ZWWBUHPAIFWSIE-KWQFWETISA-N 331.369 0.802 70 20 ECID CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1NCCO 1037931616 FARPZPXLSLESSE-ZYHUDNBSSA-N 347.412 0.496 70 20 ECID Cn1nccc1[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)O 1605567830 IAAISLJKRDIHGG-LLVKDONJSA-N 341.320 0.634 70 20 ECID Cc1conc1NC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 161163765 JQMCYSYVMXNYGB-ZDUSSCGKSA-N 336.392 0.492 70 20 ECID C[C@@H](CO)CNC(=O)CC1(CC(=O)NC[C@@H](C)CO)CCCC1 160530224 SDBBZKFEKMWOOV-ZIAGYGMSSA-N 328.453 0.816 70 20 ECID Cc1cccc([C@H]2CCCN2C(=O)NCCNS(C)(=O)=O)n1 159512916 BFQYKDNLTJPWTM-CYBMUJFWSA-N 326.422 0.786 70 20 ECID O=C(NCC1=CCN(CCCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1001157926 YBKWJERGRGRFBG-UHFFFAOYSA-N 345.396 0.417 70 20 ECID CN(CCO)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1027581882 HPZQIGIVCHJTES-JTQLQIEISA-N 333.385 0.202 70 20 ECID CN(C)C1CCN(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1123741855 DCOOQCLJYNUHDQ-UHFFFAOYSA-N 346.428 0.429 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2CC[C@H]1CN2CCCO 971826755 MVOUQBGEWGZLEA-MNOVXSKESA-N 345.396 0.344 70 20 ECID CC(C)N1C[C@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 978728689 WWJLSKCUAZTKTI-RYUDHWBXSA-N 329.397 0.989 70 20 ECID C[C@@H](CS(C)(=O)=O)NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337755542 DITZFKDBUZNTEP-VIFPVBQESA-N 337.394 0.437 70 20 ECID C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)C[C@H](O)C1CC1 160824116 YAGVNDYCVZJOQV-ZFWWWQNUSA-N 349.431 0.655 70 20 ECID CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 946074227 UDANKBGNDXQGKV-GXSJLCMTSA-N 331.369 0.708 70 20 ECID C[C@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 990132846 BDSBYXUVZWUXMP-OIBJUYFYSA-N 329.353 0.270 70 20 ECID C[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1097873673 PQIMQJPPVVNCKS-MRGUHSIWSA-N 345.396 0.389 70 20 ECID Cc1conc1NC(=O)C(=O)NCCCNC(=O)c1ccc(F)cc1 161136067 VZFIQVFPWWXMKA-UHFFFAOYSA-N 348.334 0.997 70 20 ECID COC[C@@H](O)CNC(=O)c1nnn(-c2cccc3ncccc23)c1C 159518391 VTBSGVRDIZLZQJ-LBPRGKRZSA-N 341.371 0.861 70 20 ECID NC(=O)[C@H]1CCCN1C1CCN(C[C@@H](O)COc2ccccc2)CC1 159369000 QNPOABBBHFIPTD-SJLPKXTDSA-N 347.459 0.840 70 20 ECID CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)F)cc2)n[nH]c1C 864243798 WSDOTPHZTRDUAZ-UHFFFAOYSA-N 340.336 0.988 70 20 ECID C/C=C(/C)C(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355483 QOMFUBGARBGVDA-WTKPLQERSA-N 343.380 0.922 70 20 ECID C/C=C(\C)C(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164062 KYQFOEOJFDCUON-OTVCUZDGSA-N 343.380 0.970 70 20 ECID CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1N(C)C 1346641424 GOVKHQXPSYTDPW-MNOVXSKESA-N 335.426 0.791 70 20 ECID O=C(N[C@@H](CO)CN1CCCCC1)c1cc(S(=O)(=O)F)c[nH]1 1347341099 XSWODNXXUAKURT-SNVBAGLBSA-N 333.385 0.250 70 20 ECID NC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccc(F)cc1 1340626111 VTUKUTWHQRLUTG-NSHDSACASA-N 343.311 0.768 70 20 ECID CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccccc1OC(F)F 161506733 XDZNGRKSJQUHQK-CYBMUJFWSA-N 338.376 0.879 70 20 ECID CC(C)S(=O)(=O)CC(=O)N(C)CC(C)(C)CN1CCOCC1 160068634 UQHKOPVQHUSWQW-UHFFFAOYSA-N 334.482 0.626 70 20 ECID Cc1ccc(NC(=O)C(=O)NCCn2cccc2)cc1-n1cnnn1 160141166 IZQUMUPCKISEFE-UHFFFAOYSA-N 339.359 0.527 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCc1cccnc1 160518252 QINNJAXSDNCMIM-ZIAGYGMSSA-N 325.434 0.848 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C(=O)C2CC2)CC1 1009704181 FYRSBISVZNQILX-UHFFFAOYSA-N 329.353 0.367 70 20 ECID CO[C@H](C)C(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952162899 KGBZGTRNEWPNPL-BDAKNGLRSA-N 347.368 0.039 70 20 ECID Cc1nccnc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133980819 CFXGTNDUZNKZFB-UHFFFAOYSA-N 341.368 0.291 70 20 ECID COCCNCC1(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1167258347 ZCWBPYZLUNSAQT-UHFFFAOYSA-N 347.412 0.809 70 20 ECID O=C(N[C@H]1CN(c2ccccc2)C1=O)c1cc(S(=O)(=O)F)c[nH]1 1348035029 OPXCMASELBTGAN-LBPRGKRZSA-N 337.332 0.818 70 20 ECID CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 161388152 PKHLABBRHWOWPC-OAHLLOKOSA-N 346.431 0.814 70 20 ECID NS(=O)(=O)N1CCC(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CC1 161455736 IGIHFHBXTRIXSG-BZUAXINKSA-N 349.456 0.604 70 20 ECID C[C@H](CS(C)(=O)=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 159745332 UYVXYRKFFCUIEV-CYBMUJFWSA-N 334.482 0.484 70 20 ECID CCn1c(=O)[nH]c2cc(C(=O)Nc3c[nH]c(=O)c(C)c3)ccc2c1=O 159757886 UEDHONUJJSVFIF-UHFFFAOYSA-N 340.339 0.959 70 20 ECID COc1cncnc1NC(=O)c1cncc(OS(=O)(=O)F)c1 1887522463 IBUJKANVKGTTQJ-UHFFFAOYSA-N 328.281 0.726 70 20 ECID N[C@@H](C(=O)N1CCN(CCc2cnccn2)CC1)c1ccccc1 217356048 AAWCFTQJKVSDNG-QGZVFWFLSA-N 325.416 0.863 70 20 ECID COC(=O)Cn1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)n1 864239933 MGVOFDCSCXZKCS-UHFFFAOYSA-N 341.320 0.967 70 20 ECID O=C(NCCNCC[C@H]1CCCCO1)c1cc(S(=O)(=O)F)c[nH]1 1133976565 POTLKQHBLOHIOX-LLVKDONJSA-N 347.412 0.952 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C)S1(=O)=O 1349611929 SYKREFIVGCRYTK-OCAPTIKFSA-N 338.382 0.321 70 20 ECID NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1519746381 VOTFOTCROGVIPY-NMLBEHRDSA-N 329.353 0.399 70 20 ECID CC(C)(O)CN1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 160427796 KWXNEMBNTHOTJL-UHFFFAOYSA-N 338.452 0.240 70 20 ECID CN(C)c1ccc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cn1 160691127 SSAKVSLXZFMMOR-DGCLKSJQSA-N 340.449 0.595 70 20 ECID Cn1cnnc1CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 160722879 OQAYGPXWOXYDAU-HNNXBMFYSA-N 343.387 0.442 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCN(CC#N)CC1 1006004859 RXYOSXCYUKRIRK-UHFFFAOYSA-N 328.369 0.733 70 20 ECID O=C(NC1CN(C[C@H]2CCCCO2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030972022 HRPPLWDGLXTQST-LLVKDONJSA-N 345.396 0.656 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@@]1(C(=O)O)CCOC1 1594707590 LFGVRDAGALSPOS-ZDUSSCGKSA-N 331.321 0.247 70 20 ECID COC[C@H](O)CCNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 161246293 DOTMAXJRUOZFDE-IAGOWNOFSA-N 336.432 0.791 70 20 ECID CN1CCN(c2ncccc2CNC(=O)c2cccc(=O)n2C)CC1 161303810 FMVZDOAZBOVCHO-UHFFFAOYSA-N 341.415 0.462 70 20 ECID CNS(=O)(=O)c1ccc(CNC(=O)[C@]2(C)CCCNC2)s1 161320765 CSZPKTWKBXZUKH-CYBMUJFWSA-N 331.463 0.662 70 20 ECID COC[C@@H](C)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1043897116 XNMDAGFASDWYQM-SECBINFHSA-N 333.385 0.464 70 20 ECID O=C(NCCNCCOCC1CCC1)c1cc(S(=O)(=O)F)c[nH]1 1133981635 WPZHNQTXSCRRMI-UHFFFAOYSA-N 347.412 0.809 70 20 ECID CC1(CC(=O)N2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1 999954491 ICJQMRIKLQLSMQ-UHFFFAOYSA-N 343.380 0.804 70 20 ECID COc1c(C)cc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cc1C 161437563 LVSSMJSIYDAFOA-OAHLLOKOSA-N 330.450 0.903 70 20 ECID Cc1ccc2c(c1)[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)CO2 160130273 MUCQFMVBXKYCCG-TZMCWYRMSA-N 338.429 0.664 70 20 ECID C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(-n2cnnn2)cc1 160609274 XKIRYRVWWDDEFE-VIFPVBQESA-N 328.298 0.991 70 20 ECID O=C(CCCn1cccc1)NCCS(=O)(=O)N1CCSCC1 159445140 MHAFJXYFJFSYQZ-UHFFFAOYSA-N 345.490 0.763 70 20 ECID O=C(N[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CC1 952050257 FGDYZPPLNXGIRW-JTQLQIEISA-N 343.380 0.804 70 20 ECID CCN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C(C)(C)C1=O 1517958748 YTOCCRLVRAIFHU-UHFFFAOYSA-N 331.369 0.756 70 20 ECID C[C@H](N)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 161172363 TYCXUYNUIZKOPG-LBPRGKRZSA-N 325.434 0.444 70 20 ECID Cn1cc(N2CCC[C@H](N3CCN(CC(C)(C)O)CC3)C2=O)cn1 160428996 IKLJVWIUNOSQJG-HNNXBMFYSA-N 335.452 0.304 70 20 ECID COC[C@H](O)CCNC(=O)C(=O)N1CCc2c(Cl)cccc21 159574178 FRUISUGMTMAYII-SNVBAGLBSA-N 326.780 0.743 70 20 ECID CC(C)c1ccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cn1 159797289 GTXRYNZSVKTGCH-UHFFFAOYSA-N 340.449 0.251 70 20 ECID CC(C)S(=O)(=O)CCCN1CCCN(S(C)(=O)=O)CC1 160656788 OVIRAGOTMZRKKN-UHFFFAOYSA-N 326.484 0.167 70 20 ECID CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1000912275 YRDBEQOGPQZCBT-UISBYWKRSA-N 343.380 0.945 70 20 ECID O=C(NC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1 948606755 ZLNCMABHOSZOQE-SECBINFHSA-N 329.353 0.414 70 20 ECID O=C(NCCCc1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1 160066037 LQIHIAMGAGJSFG-QGZVFWFLSA-N 347.459 0.698 70 20 ECID CC1CCC2(CC1)NC(=O)N(CC(=O)N1C[C@@H]3CCC[C@H](C1)N3)C2=O 160716576 NMYBYLHMPUCMKX-MBIJGJCISA-N 348.447 0.840 70 20 ECID O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1Cc2ccccc2CN1 159861140 DOFIMHNTJNIQJL-STQMWFEESA-N 341.333 0.980 70 20 ECID CC(C)C(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938845022 ZWCUMQWYWNYARM-VIFPVBQESA-N 331.369 0.660 70 20 ECID O=C(c1ccc(S(=O)(=O)F)cc1)N1CCOC[C@@]12CCOC2 864241791 LDTGEUDZUCBWMD-AWEZNQCLSA-N 329.349 0.976 70 20 ECID CO[C@H](C)CN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033430166 PWIHLLFKQVIPQU-GHMZBOCLSA-N 347.412 0.854 70 20 ECID O=C(NC[C@H]1CCCCCN1CCO)c1cc(S(=O)(=O)F)c[nH]1 969027465 FFNROKGULJQYGZ-LLVKDONJSA-N 347.412 0.640 70 20 ECID COC[C@H](C)NC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1202531480 HNRCVGBEWAJWFS-JTQLQIEISA-N 347.412 0.902 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N(CCOCCO)C1CCC1 1350013872 FSTSDMFNNOEZND-UHFFFAOYSA-N 334.369 0.677 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](CCO)C(C)C)CC2 160614007 ZBVSHRSKBXYMSY-NEPJUHHUSA-N 325.413 0.446 70 20 ECID C[C@@H](c1cccc(F)c1)N1CCN(CC(=O)N2CCNC(=O)C2)CC1 159474943 KMBANOHWCIQIMW-AWEZNQCLSA-N 348.422 0.463 70 20 ECID CN(C)[S@](C)(=O)=NC(=O)c1cncc(OS(=O)(=O)F)c1 1887522548 PBPFEYIYLMSDEC-LJQANCHMSA-N 325.343 0.389 70 20 ECID CC(C)N1C[C@H](NC(=O)N2CCN(c3ncccn3)CC2)CC1=O 217288922 IRMLNHDYXUAAIQ-CYBMUJFWSA-N 332.408 0.318 70 20 ECID Cc1nc2n(n1)C[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)CC2 1121032117 KIRAEENKFBPZFH-NSHDSACASA-N 338.364 0.990 70 20 ECID C[C@@H](N)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 161172890 TYCXUYNUIZKOPG-GFCCVEGCSA-N 325.434 0.444 70 20 ECID C[C@@H](CNS(=O)(=O)c1ncn(C)c1Cl)CN1CCOCC1 160389627 DUUMFDZKGXASCM-JTQLQIEISA-N 336.845 0.320 70 20 ECID C[C@H](CO)N(C)C(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1 160550387 CFXOLOHCZWWJTP-SBKJXLNCSA-N 338.429 0.980 70 20 ECID Cc1nc2c(c(C)c1CC(=O)N[C@@H](CO)CC(C)C)c(=O)[nH]n2C 160767931 GKIONBUNNPJUFI-GFCCVEGCSA-N 334.420 0.944 70 20 ECID CC(=O)N(C)C1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 159664976 ZILWKEZOISTPMH-INIZCTEOSA-N 333.436 0.858 70 20 ECID O=C(CCN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)F)cc1 273918160 BDEQPOKPOKOEPA-UHFFFAOYSA-N 328.321 0.822 70 20 ECID CC[C@@H](CN1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)OC 1043896393 OUVOSZNWOXFCBN-NSHDSACASA-N 347.412 0.854 70 20 ECID CC[C@@H]1[C@@H](NC(C)=O)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 984371023 QZJLSFKKSJIQLC-CMPLNLGQSA-N 331.369 0.802 70 20 ECID N#Cc1ccc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc1 1094126891 YSNFSALOLQAYKR-UHFFFAOYSA-N 337.336 0.781 70 20 ECID O=S(=O)(OCC(F)(F)Sc1n[nH]c(CO)n1)C(F)(F)F 1328033106 PLRAGQMRNQXMKS-UHFFFAOYSA-N 343.255 0.848 70 20 ECID CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)CCO)c1 161024236 RHYDGZOKRWZNSK-VIFPVBQESA-N 334.825 0.996 70 20 ECID Cn1ccnc1CS(=O)(=O)CC(=O)NCCc1ccc(F)cc1 161181755 JFIJZMSNENJVAL-UHFFFAOYSA-N 339.392 0.833 70 20 ECID CNS(=O)(=O)[C@@H]1CCN(C(=O)C(F)(F)c2ccc(OC)cc2)C1 161266172 ISTPTPRDTYROAE-GFCCVEGCSA-N 348.371 0.937 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)NCC1(O)CCCCC1)CC2 160589741 QLUZUDXZZQXZGQ-GFCCVEGCSA-N 337.424 0.734 70 20 ECID CN(Cc1nnc2n(C)c(=O)c3ccccc3n12)CC(C)(CO)CO 159559716 KJKOVOXJLJQXBL-UHFFFAOYSA-N 345.403 0.004 70 20 ECID O=C(NC[C@H]1CCCN(CCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1023591377 YHYCZCQALYOQIU-LLVKDONJSA-N 347.412 0.497 70 20 ECID Cn1ccnc1CN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1030966092 JLFVVLBFWOEFSA-UHFFFAOYSA-N 341.368 0.021 70 20 ECID CO[C@H](C)CN1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 961792474 WSEUZQMJLYXMSF-FBIMIBRVSA-N 345.396 0.368 70 20 ECID O=C(CO)N1CCN(C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 161474548 GGOGQJYUTMCHOY-UHFFFAOYSA-N 343.387 0.600 70 20 ECID C[C@@H]1Cc2cc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)ccc2O1 161484052 RXSMIYWVKKYMEK-IAQYHMDHSA-N 328.434 0.601 70 20 ECID O=C1C[C@@H](CC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CO1 160031064 VTEBOALBAOZHPK-CQSZACIVSA-N 342.399 0.932 70 20 ECID Cc1ccoc1C(=O)NCCCNS(=O)(=O)c1cn(C)c(C)n1 160251804 CQUOKAXFPLVSCI-UHFFFAOYSA-N 340.405 0.728 70 20 ECID Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@H]1CCCS1(=O)=O 159734965 GYHBQCUGCYVEMX-ZIAGYGMSSA-N 340.449 0.943 70 20 ECID CC(=O)N1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 937143187 IRQZLJZNQXLRQF-JTQLQIEISA-N 331.369 0.804 70 20 ECID COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C1CC1 1130528992 MWARQYRFJYPESF-WDEREUQCSA-N 344.364 0.944 70 20 ECID CCN1CCO[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 1074340832 MSAUHZCBVAXBQV-CHWSQXEVSA-N 345.396 0.608 70 20 ECID COCCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCOCC1 1349545995 HBZPYGTVULINDM-UHFFFAOYSA-N 334.369 0.941 70 20 ECID CCOC[C@@H](C(=O)OC)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1521207306 UKBIXHJXUYGQLN-JTQLQIEISA-N 336.341 0.323 70 20 ECID CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC(O)C1 161487995 HPVKKAHLPCDILH-ZDUSSCGKSA-N 330.381 0.332 70 20 ECID CC(=O)N1CCCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 943538928 CTEZPOGAAJHYFY-JTQLQIEISA-N 331.369 0.804 70 20 ECID CN(C)C(=O)CN(C)C(=O)CCc1ccc(S(=O)(=O)F)cc1 1121174726 JFFRVUOWFDENHG-UHFFFAOYSA-N 330.381 0.824 70 20 ECID CN(C(=O)CC1CC1)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 953506440 XMJOLDZHOITISI-UHFFFAOYSA-N 343.380 0.756 70 20 ECID O=C1C[C@@H](C(=O)NCc2ccc(Br)s2)NC(=O)N1 217213503 KRGGTBYOZGUOCG-LURJTMIESA-N 332.179 0.725 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H]1C(=O)NCC[C@H]1C 1337437855 PAOAQBVVPQWLIK-PRHODGIISA-N 328.365 0.908 70 20 ECID CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccncc2)CC1 161232060 KCSJQTTUGVFQOH-AWEZNQCLSA-N 333.436 0.822 70 20 ECID O=S(=O)(NCCCN1CCOCC1)c1cccc2nonc12 160882223 UKXYSGDOMNYQJN-UHFFFAOYSA-N 326.378 0.223 70 20 ECID CNC(=O)[C@@H]1CCCN1C(=O)NCc1cc(=O)[nH]c2ccccc12 159670881 VEYYWXCYYDJTIE-AWEZNQCLSA-N 328.372 0.948 70 20 ECID Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)[nH]n1 159686058 AOEBCIAECWBXQY-GJZGRUSLSA-N 344.419 0.582 70 20 ECID CC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015581017 YYOGXGNTSUHELU-ZJUUUORDSA-N 331.369 0.708 70 20 ECID O=C(NCCNC[C@@H]1CCCCO1)c1cc(S(=O)(=O)F)c[nH]1 1133981097 HIKKHYQFDZHWJE-JTQLQIEISA-N 333.385 0.561 70 20 ECID O=C(NCCCNCCn1cccn1)c1cc(S(=O)(=O)F)c[nH]1 1166871434 DYKKULNEGVGSNU-UHFFFAOYSA-N 343.384 0.279 70 20 ECID Cc1c(C(=O)N[C@@H](CO)CC(C)C)cnc2c1c(=O)n(C)c(=O)n2C 160938996 WBFIAQZXUJTJFH-LLVKDONJSA-N 348.403 0.077 70 20 ECID CC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1025941824 CNBXUWRCYAERPA-NDMJEZRESA-N 343.380 0.802 70 20 ECID O=S(=O)(F)c1ccc(S(=O)(=O)Nc2cnn(CCO)c2)cc1 771829916 NMWJROAJYLWPIG-UHFFFAOYSA-N 349.365 0.334 70 20 ECID O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)c1cc(S(=O)(=O)F)c[nH]1 1096029283 HJFDQLLFRVWAMJ-CDMKHQONSA-N 345.396 0.390 70 20 ECID O=C(N[C@@H](C[C@H]1CCCOC1)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601409905 IFELTUQUJRMXFF-KCJUWKMLSA-N 348.352 0.673 70 20 ECID CCCc1nccn1CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 161419883 NQOMWJONSHPEMW-CYBMUJFWSA-N 343.449 0.498 70 20 ECID CCN1CCCN(C(=O)NCc2cccc(OCC(N)=O)c2)CC1 159922400 WIGOVGKKHDKPAC-UHFFFAOYSA-N 334.420 0.788 70 20 ECID COc1cc(CNS(N)(=O)=O)cc(Br)c1OC 159778420 FFNQFCHKVHGINA-UHFFFAOYSA-N 325.184 0.759 70 20 ECID C#CCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 1044746103 FTRZGJOBFMGNMI-QWRGUYRKSA-N 327.381 0.889 70 20 ECID Cc1cnc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)o1 1133976715 RLKRJMDMRKMIQQ-UHFFFAOYSA-N 330.341 0.489 70 20 ECID CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(S(=O)(=O)F)c1 1336948865 BTOOOVKTFJSEJV-NWDGAFQWSA-N 328.365 0.989 70 20 ECID CO[C@H](C)CN(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192399290 XYEUEMJFKJQRDG-MNOVXSKESA-N 347.412 0.854 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCOC[C@]12CCOC2 1349677654 BXUPRUBXJZZAOO-OAHLLOKOSA-N 343.376 0.905 70 20 ECID COc1cccc2c1CC[C@H]2NC(=O)c1cn(CC(=O)N(C)C)nn1 160077223 PHWQYUMQCPKYPV-CYBMUJFWSA-N 343.387 0.792 70 20 ECID COCCNC(=O)[C@H](CC(C)C)NC(=O)c1cnc2c(c1)ncn2C 160996969 MVJPSJJQDVAJGH-AWEZNQCLSA-N 347.419 0.875 70 20 ECID COCCCNC(=O)CN(C)[C@H]1CCCN(c2cnn(C)c2)C1=O 159681892 TXNVRUSRIGIZRI-AWEZNQCLSA-N 337.424 0.000 70 20 ECID O=C(N[C@H]1C[C@@H](NC[C@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1022730681 VJBZNYXPIMHVRF-MXWKQRLJSA-N 345.396 0.560 70 20 ECID C=C(C)CN1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035511237 PCKPVJATCPHDLX-NSHDSACASA-N 345.396 0.680 70 20 ECID C[C@H](O)CN1[C@H]2CC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1029478276 HYFOUFOVFNGBOL-DCAQKATOSA-N 345.396 0.343 70 20 ECID CCC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 970028017 JMEJWTOFHDRYPA-AOOOYVTPSA-N 343.380 0.898 70 20 ECID C#CCNCC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1206307289 DUTAWEUHIXFQKR-UHFFFAOYSA-N 327.381 0.748 70 20 ECID CCN[C@@H](C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 979395556 WZINVJKVKNGHJK-JOYOIKCWSA-N 333.385 0.512 70 20 ECID CCN1CC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)F)cc2)C1=O 1337436304 GXAVHJIYJHHWGX-GFCCVEGCSA-N 328.365 0.624 70 20 ECID CC(C)(C)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O 1527566588 VTTGBENYWHNESY-QMMMGPOBSA-N 331.369 0.802 70 20 ECID CCN(Cc1ccccn1)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 161044779 LBXQJUHEFMQOQQ-LLVKDONJSA-N 345.403 0.155 70 20 ECID CCc1cc(O)nc(CN2CCN(CC(=O)N[C@@H](C)CC)CC2)n1 160751853 QLMPOZNYLMZBPO-ZDUSSCGKSA-N 335.452 0.777 70 20 ECID O=C(Cc1cccnc1)NNC(=O)c1ccc(S(=O)(=O)F)cc1 865207654 SJMIMXOAJHLAAM-UHFFFAOYSA-N 337.332 0.744 70 20 ECID CCCCN1CCOC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051117181 UHQQYSMMODQPQZ-NSHDSACASA-N 347.412 0.904 70 20 ECID CC(=O)N[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 964650053 MEDZEBDWVYBGMN-SNVBAGLBSA-N 331.369 0.804 70 20 ECID C[C@H](O)CN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1082749667 QGDMDIPNPRBKSX-VDDIYKPWSA-N 333.385 0.104 70 20 ECID C#CCCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1179550253 UGIWAJVTOXQUIC-JQWIXIFHSA-N 327.381 0.889 70 20 ECID Cn1c(N)nnc1SC(F)(F)COS(=O)(=O)C(F)(F)F 1333279231 QRKNZQPRVINLLT-UHFFFAOYSA-N 342.271 0.948 70 20 ECID CCNC(=O)[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)F)cc1 1262687369 LTWUEXKLWWXDTP-SNVBAGLBSA-N 330.381 0.918 70 20 ECID CC(C)n1nccc1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 161041158 AOBGSSJMHURBBM-UHFFFAOYSA-N 342.359 0.662 70 20 ECID C[C@H](NCC(=O)NCC(F)(F)F)c1cccc(-n2cnnn2)c1 160518589 WCEOTYRTJOWTHL-VIFPVBQESA-N 328.298 0.991 70 20 ECID Cn1cc(C[C@@H]2CCN(C(=O)NC[C@@H]3CCCS3(=O)=O)C2)cn1 159653061 NLIYRKDUHNDWON-JSGCOSHPSA-N 340.449 0.571 70 20 ECID C#CCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1036196377 VMKHPXJETPRMFT-CMPLNLGQSA-N 327.381 0.746 70 20 ECID COC[C@@H](C)N1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033429675 KWNFQNXWNUSYER-GHMZBOCLSA-N 347.412 0.854 70 20 ECID CC(C)COCCNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133976994 WWOHZIYCKZFISY-UHFFFAOYSA-N 335.401 0.665 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2CC[C@H]1[C@H](NCCO)C2 1079044397 CBSVWFXQBQEIOR-NDMJEZRESA-N 345.396 0.248 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1CNCCO 1185154834 CVUHMQHEBPXVJY-QWRGUYRKSA-N 347.412 0.353 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)NCC(=O)NCC(F)F 1338153068 WAHIHTLMWYLAHR-UHFFFAOYSA-N 338.307 0.764 70 20 ECID CCNCC1CCN(C(=O)[C@H](NS(C)(=O)=O)[C@H](C)CC)CC1 161091421 MQERKWINMJQPDG-TZMCWYRMSA-N 333.498 0.798 70 20 ECID CCN1CCO[C@@](C)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1108221336 ZIKAPOPYQHDPJD-ZDUSSCGKSA-N 333.385 0.514 70 20 ECID C=CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958413385 OWDHJUSIYQFVSS-MFKMUULPSA-N 345.396 0.272 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H]1CCS(=O)(=O)C1 1120829462 AEAYUDDTLBGHNV-VIFPVBQESA-N 335.378 0.570 70 20 ECID CC1(C)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1NCCO 996306840 BBAYUFHOIQMFTM-NSHDSACASA-N 333.385 0.105 70 20 ECID CN(CCNCc1cnns1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1753239588 ATFMNKYEUOGAMU-UHFFFAOYSA-N 347.397 0.386 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O 161432327 ZRQAOQZGPWBLCR-WMLDXEAASA-N 347.415 0.729 70 20 ECID CN(C)CCN1CCC(CNC(=O)CN(C)[C@@H]2CCSC2)CC1 160426550 UBKBWEGRUAYPBR-MRXNPFEDSA-N 342.553 0.814 70 20 ECID Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)cn1 160462688 WANBIVPVXSSVAY-UHFFFAOYSA-N 342.355 0.906 70 20 ECID CCCC1(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 160713011 GVBAGNXEHACJGM-QWHCGFSZSA-N 342.461 0.719 70 20 ECID CCn1c(=O)[nH]c2cc(C(=O)N[C@H](CCO)C(C)C)ccc2c1=O 160787794 WWAZJUNHPWGSHF-CYBMUJFWSA-N 333.388 0.847 70 20 ECID C/C=C(/C)C(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938844691 MEBUOBBAIWVGPA-BNFOFFDWSA-N 343.380 0.970 70 20 ECID CC[C@@H](F)C(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164284 QJIMGKRSMPPVGN-PSASIEDQSA-N 349.359 0.752 70 20 ECID C[C@@H](NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1csnn1 1133981678 YQGZYIGKFDIIMA-SSDOTTSWSA-N 347.397 0.605 70 20 ECID CCc1nsc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1094126175 BQBZSMDIILSVLZ-UHFFFAOYSA-N 347.397 0.929 70 20 ECID C[C@@H](CS(C)(=O)=O)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1348647871 WNTKDZLPNAZDPA-ZETCQYMHSA-N 326.371 0.178 70 20 ECID Cc1cc(NC(=O)CN2CCN(C(=O)c3cccc(F)n3)CC2)no1 161200088 CWIYPGXNFNHIGT-UHFFFAOYSA-N 347.350 0.914 70 20 ECID Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H]3CCc4ncnn4C3)C2)no1 161311413 GKERUFLHHSFDCI-QWHCGFSZSA-N 345.407 0.949 70 20 ECID CS(=O)(=O)c1cc(C(=O)NCC(=O)NCC(F)(F)F)cs1 160017941 FPXLWUHPPVIODT-UHFFFAOYSA-N 344.336 0.560 70 20 ECID CCOC(=O)C[C@@H](C)NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C 160053070 PNPQIWGJVBBTQY-SECBINFHSA-N 334.376 0.640 70 20 ECID CN(Cc1cccn1C)C(=O)c1ccc(CNS(C)(=O)=O)o1 160419054 UTEHZFXSTAVJHU-UHFFFAOYSA-N 325.390 0.940 70 20 ECID CCN(CCCN1CCCCC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 160459221 VDGZDCYSPCOFMZ-HNNXBMFYSA-N 345.509 0.488 70 20 ECID N#CCN1C[C@H]2C[C@@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]1C2 1047147154 UQVGWWNRPNCQOI-HBNTYKKESA-N 340.380 0.779 70 20 ECID C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(=O)NCCF 1337438722 WCTXLYBTHHNGRC-SECBINFHSA-N 334.344 0.478 70 20 ECID COC(=O)[C@H](O)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1263760834 MRNPZKFWBDGEKM-LLVKDONJSA-N 348.352 0.059 70 20 ECID N[C@H]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2F)C1 161172962 GUZOVGZCCCLUEW-NWDGAFQWSA-N 343.424 0.880 70 20 ECID O=C(CN1CCS(=O)(=O)CC1)N1CCc2c(F)cccc2C1 160991583 DYEXFJMKNOLQQM-UHFFFAOYSA-N 326.393 0.441 70 20 ECID O=C(N[C@@H]1CN(CC2CCC2)C[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1083785973 CUXRSRUIAOBDTJ-OLZOCXBDSA-N 345.396 0.248 70 20 ECID O=C(NCCS(=O)(=O)C1CC1)c1cccc(S(=O)(=O)F)c1 1337360919 MDZJNPZBBZAKPU-UHFFFAOYSA-N 335.378 0.652 70 20 ECID CC[C@@H](C)[C@@H](NC(=O)CN1CCN(c2ccncc2)CC1)C(=O)OC 161370776 VGUJBAAMTIXEDN-RHSMWYFYSA-N 348.447 0.908 70 20 ECID COCCNC(=O)CNC(=O)c1c[nH]c2c(C)cc(F)cc2c1=O 160026846 RUEVDMRHNVATFU-UHFFFAOYSA-N 335.335 0.468 70 20 ECID Cc1ccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1N 160718496 LCQIFQHJDXINRP-UHFFFAOYSA-N 343.387 0.885 70 20 ECID COC(=O)CNC(=O)[C@H](C)N1CCO[C@]2(CCc3ccccc32)C1 159406172 LSKOPDBOCCXJJV-SCLBCKFNSA-N 332.400 0.838 70 20 ECID CN(CC(=O)NCCc1cc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 159500599 JFFCUPSPEIWMCR-OAHLLOKOSA-N 349.456 0.946 70 20 ECID CN1CCO[C@H]2CN(C(=O)CNC(=O)c3cc4ccccc4[nH]3)C[C@@H]21 159728717 OAMQTULWHDJQLC-HOTGVXAUSA-N 342.399 0.439 70 20 ECID COC[C@](C)(NC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)OC 864242999 WIJAHPBGGDMJBE-ZDUSSCGKSA-N 333.337 0.653 70 20 ECID COC[C@](C)(CC(=O)OC)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1121032369 OUSLJEFNCISGCF-LBPRGKRZSA-N 336.341 0.371 70 20 ECID NC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccc(F)cc1 1340626104 VTUKUTWHQRLUTG-LLVKDONJSA-N 343.311 0.768 70 20 ECID O=C(O)C[C@@]1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCOC1 1608686082 XTCAMRHWSOXMGC-ZDUSSCGKSA-N 331.321 0.708 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N(C)C[C@@H]1CCCCO1)CC2 160552358 GTXNDKJLMINSRW-OLZOCXBDSA-N 337.424 0.950 70 20 ECID C=CCOCCN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1113353904 TVEKVOAIZKLPAY-UHFFFAOYSA-N 345.396 0.633 70 20 ECID N#Cc1cn(CCS(=O)(=O)F)nc1I 883953914 PZSDWQVHROZFKJ-UHFFFAOYSA-N 329.094 0.659 70 20 ECID C#CCN1C[C@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 978727379 SGBJMJDYXWBBTG-RYUDHWBXSA-N 325.365 0.214 70 20 ECID C=CCCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](OC)C1 1082143692 FGOSNRNSYNCNEI-CHWSQXEVSA-N 345.396 0.678 70 20 ECID CC(C)[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC[C@H](C)O 1753840510 GVQZZRXRASYPJV-CABZTGNLSA-N 335.401 0.398 70 20 ECID NC(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 160417422 AKVJRLGRIVRFOH-AWEZNQCLSA-N 332.404 0.395 70 20 ECID Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c(=O)[nH]1 160480323 YYPGAQDQOAGBAX-PWSUYJOCSA-N 327.406 0.131 70 20 ECID Cc1cc(NC(=O)CN2CCC(N3CCC[C@H]3C(N)=O)CC2)n(C)n1 159388872 SSGASTXUXWGKFP-AWEZNQCLSA-N 348.451 0.081 70 20 ECID CC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008358993 QEUILIVCSDAAOM-HZMBPMFUSA-N 343.380 0.804 70 20 ECID C[C@H](O)CN1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1024652804 VYDBVERWQSPWDF-QWRGUYRKSA-N 347.412 0.638 70 20 ECID COC(=O)C[C@@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCOC1 864241194 NAOWDIQJUHEECP-AWEZNQCLSA-N 345.348 0.797 70 20 ECID C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 968336841 XWJDIVAASMUKOF-BXKDBHETSA-N 328.369 0.637 70 20 ECID CC[C@@H](F)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999957095 TVBYVSQAIQYVSX-SECBINFHSA-N 335.332 0.362 70 20 ECID COC(=O)[C@@H]1CSCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1339113258 LDWDMVBLAFYSPP-VIFPVBQESA-N 336.366 0.404 70 20 ECID COC[C@H](O)CCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 161201760 UGYSSUKXPUARTO-HZPDHXFCSA-N 334.416 1.000 70 20 ECID Cc1cnccc1CCNC(=O)NCCCN1CCC[C@H](C(N)=O)C1 161384747 GCQMPUPJCUAPRO-INIZCTEOSA-N 347.463 0.819 70 20 ECID CC(C)(C)S(=O)(=O)CC(=O)NCCNC(=O)c1cccs1 160861012 SRIKBESZHROJTF-UHFFFAOYSA-N 332.447 0.807 70 20 ECID O=C(NC[C@@H]1CCCS1(=O)=O)N1CCO[C@@H](c2ccco2)C1 159648627 GLXKKHQDTLRZPY-WCQYABFASA-N 328.390 0.940 70 20 ECID CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1cnn(C)c1 159475701 RHCGXVMIQFFHKQ-UHFFFAOYSA-N 330.454 0.399 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nnnn1C1CC1 1347084400 XDSUVHIZWAJLHL-LURJTMIESA-N 328.329 0.485 70 20 ECID O=C1NCCC[C@@H]1C(=O)NCCN1CCN(Cc2ccccc2)CC1 216631544 XSGOANQVTSROGX-KRWDZBQOSA-N 344.459 0.447 70 20 ECID CC(=O)N1CCC(NC(=O)CN2CCN(c3ccncc3)CC2)CC1 161373303 UDARSYFCPDIPTB-UHFFFAOYSA-N 345.447 0.331 70 20 ECID O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1)C1CCC1 274580363 FCYXOLSEOLEYEK-UHFFFAOYSA-N 336.366 0.454 70 20 ECID CCN(Cc1ccccn1)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 161198261 LLCFULHCWXRHCT-GXTWGEPZSA-N 325.434 0.595 70 20 ECID CNC(=O)[C@H]1CCCN1C(=O)NCc1cc(=O)[nH]c2ccccc12 159671026 VEYYWXCYYDJTIE-CQSZACIVSA-N 328.372 0.948 70 20 ECID C[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H](c2ccccc2)O1 216869246 NBRKUJPAXZSRCU-GXTWGEPZSA-N 331.372 0.917 70 20 ECID C[C@@]1(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)CCS(=O)(=O)C1 1120814536 CARAMTPEFOJJOA-CYBMUJFWSA-N 349.405 0.581 70 20 ECID C[C@@H](O)CNC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 997015563 VAZLNBLXZMMSOZ-SECBINFHSA-N 333.385 0.248 70 20 ECID O=C(N[C@H]1CCN(CC2CC2)C[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1090576875 OCAFAFURRDILOI-WCQYABFASA-N 345.396 0.248 70 20 ECID CS(=O)(=O)C[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1 1340626306 ZCVQSNWHCAKNEF-SNVBAGLBSA-N 349.405 0.852 70 20 ECID Cc1c(C(=O)Nc2nccs2)cnc2c1c(=O)n(C)c(=O)n2C 160030604 YJLWHRRQQOVTTA-UHFFFAOYSA-N 331.357 0.649 70 20 ECID CCC(N)(CC)CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 160430939 DLXBFCSLGRAQAE-LBPRGKRZSA-N 327.450 0.987 70 20 ECID CC(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)n(C)c1 160718761 MWNVICLPELVHPE-AAEUAGOBSA-N 341.433 0.675 70 20 ECID CN(C)C(=O)NCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1 160827765 KRQJHTQFLXHHJP-UHFFFAOYSA-N 341.220 0.938 70 20 ECID C#CCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 942861002 WLPAXHJTYQTCAV-CMPLNLGQSA-N 327.381 0.746 70 20 ECID CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1083196534 WNJNVAIOWLAQEB-QWHCGFSZSA-N 345.396 0.608 70 20 ECID CC1(C(=O)N2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1 999956983 RSUGWXAKGBVMEP-UHFFFAOYSA-N 329.353 0.414 70 20 ECID O=C(NCCCNC[C@@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1166879732 PGJUFGVIRNUAAB-JTQLQIEISA-N 333.385 0.419 70 20 ECID O=c1onc(-c2cccnc2)n1CCNS(=O)(=O)c1ccccc1 161293087 TWLYMEVMKBMQJP-UHFFFAOYSA-N 346.368 0.877 70 20 ECID CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccc2oc(=O)ccc2c1 161504793 JMQCFGQEFDYZOS-OAHLLOKOSA-N 340.401 0.384 70 20 ECID CN(CCc1ccccn1)C(=O)CNC(=O)N(C)C[C@H]1CCC[C@@H]1O 160610995 WPNKUGNTAWZSPX-ZBFHGGJFSA-N 348.447 0.885 70 20 ECID C[C@H](C(=O)N(C)CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)n1cccn1 159824527 XBDODNMGAIFDHE-ISTRZQFTSA-N 342.399 0.677 70 20 ECID O=C(NC[C@@H]1CCN(CCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1028808717 NNMQKGRCYRXYRE-JTQLQIEISA-N 333.385 0.107 70 20 ECID CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(S(=O)(=O)F)cc1 865207312 LZHMNYJLSOMOCX-LLVKDONJSA-N 346.405 0.948 70 20 ECID CC1(C(=O)N2CC[C@@H]2CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 952164524 WHVKQWFFBGVHJK-SECBINFHSA-N 343.380 0.804 70 20 ECID CCN(C(=O)Cc1ccc(S(=O)(=O)F)cc1)[C@@H]1CCNC1=O 1337437881 PULNRPFLXUDOAC-GFCCVEGCSA-N 328.365 0.624 70 20 ECID C[C@H](C(=O)N(C)Cc1cccn1C)N1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 160498519 NUBMLVAQCCFVIL-BFYSQQLMSA-N 345.399 0.534 70 20 ECID O=C(CNC(=O)c1ccc(S(=O)(=O)F)cc1)NCC(F)(F)F 864240002 NDDNZZNCYOUMOX-UHFFFAOYSA-N 342.270 0.753 70 20 ECID CC(C)N1CC[C@@H](NC(=O)NC[C@H](C)CN2CCOCC2)C1=O 160025196 GUWYQAFAYPISGD-UONOGXRCSA-N 326.441 0.263 70 20 ECID CC(C)(C)N1C[C@H](NC(=O)N2CCC[C@H]2C(=O)NC2CC2)CC1=O 159560274 NQDSNJHGPYEIPW-OLZOCXBDSA-N 336.436 0.838 70 20 ECID CN(C)c1nc(CNC(=O)NCC2(CO)CCOCC2)cs1 159386457 YNLLUPNZKWENRF-UHFFFAOYSA-N 328.438 0.797 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCN(CCO)C1 1033951115 BABALSNUSQDCNP-JTQLQIEISA-N 333.385 0.202 70 20 ECID CC[C@H](F)C(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355104 DSSDKGXASVASTG-JTQLQIEISA-N 349.359 0.704 70 20 ECID Cc1nc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)co1 1133981634 WNXGDSHQBLYLQJ-UHFFFAOYSA-N 330.341 0.489 70 20 ECID CC(C)(C)C(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999375337 YPOGHRARVFQOBK-UHFFFAOYSA-N 331.369 0.660 70 20 ECID COc1ccnc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1094126285 HIRUEHIDZWEBJP-UHFFFAOYSA-N 343.340 0.313 70 20 ECID CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)NC(=O)NC2CC2)C1 161289224 MEDLPOQESRWDSM-RYUDHWBXSA-N 334.424 0.854 70 20 ECID C[C@@H](CNC(=O)NCC1(N(C)C)CCOCC1)CN1CCOCC1 159957802 CARZHZZHDZCPQU-HNNXBMFYSA-N 342.484 0.365 70 20 ECID CC(=O)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C 1018431430 YPBBBCODESYSLY-SCZZXKLOSA-N 331.369 0.802 70 20 ECID O=C(CCc1ccc(S(=O)(=O)F)cc1)NCC(=O)NCC1CC1 1121089627 AUFBQGHKOCRMIA-UHFFFAOYSA-N 342.392 0.920 70 20 ECID C[C@H]1C(=O)N(C)CCN1C(=O)CCc1ccc(S(=O)(=O)F)cc1 1262791423 SMJAGHCLCDZLBU-NSHDSACASA-N 342.392 0.967 70 20 ECID Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@H]2CN)no1 160380685 ZHGUYNILLUUNFG-MNOVXSKESA-N 326.422 0.993 70 20 ECID CN1CC[C@H](NS(=O)(=O)Cc2cc(-c3ccccc3)no2)C1=O 160470101 SNFJFYBLXSRAPT-ZDUSSCGKSA-N 335.385 0.992 70 20 ECID CC(C)C(=O)NC1[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]12 1012796858 JDMWCMOWDJQZSJ-NXEZZACHSA-N 343.380 0.516 70 20 ECID C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CN1CCOCC1 1348646408 HODWIOCMPIAHEZ-SNVBAGLBSA-N 333.385 0.371 70 20 ECID C[C@@](O)(CNC(=O)NCCCN1CCOCC1)c1cccs1 160847556 GEZZDVRFOXKXTR-OAHLLOKOSA-N 327.450 0.977 70 20 ECID CNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 159854165 URWUAKXKKHRWSP-VXGBXAGGSA-N 345.403 0.969 70 20 ECID O=C(NC[C@@H]1CCCN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1023590859 IFOBWLSLRIYQCA-JTQLQIEISA-N 333.385 0.107 70 20 ECID CS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1 864241678 GPQQBJDBPYOAMY-JTQLQIEISA-N 349.405 0.852 70 20 ECID O=C(NCC1(NCCO)CCCCC1)c1cc(S(=O)(=O)F)c[nH]1 1115734553 SJTXTVMTZOJSKZ-UHFFFAOYSA-N 347.412 0.688 70 20 ECID CC1CC(C(=O)NC2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 990755907 SEMDKFWMBXNWOS-UHFFFAOYSA-N 343.380 0.660 70 20 ECID CC(C)[C@@H](C)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999954511 IONZFQWXVXPADZ-SECBINFHSA-N 345.396 0.906 70 20 ECID C[C@@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1527977528 SWZBMQUOOVJXGO-NXEZZACHSA-N 333.385 0.200 70 20 ECID O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@H](CN2CCOCC2)C1 161193956 FSOYIDNJJKZCRS-CABCVRRESA-N 348.451 0.347 70 20 ECID CC(=O)NC1CCC(NCCN2CCN(c3ncccn3)CC2)CC1 161315010 RMAMRWIBDFCLIY-UHFFFAOYSA-N 346.479 0.636 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)co1 160342632 XCGWTLUDVHPLGO-ZYHUDNBSSA-N 328.390 0.829 70 20 ECID CC(C)(C)OC(=O)NCCNC(=O)NCCN1C(=O)CSC1=O 217263849 DTDGNNNIZXBWBA-UHFFFAOYSA-N 346.409 0.506 70 20 ECID C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164549 WULYWRVRRVFINK-NGZCFLSTSA-N 343.380 0.660 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC2(CC1)C[C@H](O)CCO2 1124047396 AGQOTGPTOAWACB-SNVBAGLBSA-N 346.380 0.819 70 20 ECID C#CCN1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1C 1071828538 QAWXCCLWTCNXLY-WDEREUQCSA-N 327.381 0.889 70 20 ECID CC(C)(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)S(C)(=O)=O 1337491065 MSHHLKXPKICTSS-UHFFFAOYSA-N 340.398 0.616 70 20 ECID COCCNC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1752951705 KVLVLSNILOLFBF-JTQLQIEISA-N 333.385 0.371 70 20 ECID CCN(C(=O)[C@H](C)N(C)Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 161063038 RRQOFCKEALFMJA-JSGCOSHPSA-N 342.465 0.276 70 20 ECID CN(C)c1n[nH]c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n1 460097402 SUZDNALZWVXYTN-UHFFFAOYSA-N 349.369 0.330 70 20 ECID C#CCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 947727563 YZVJZUSSCDKPIU-GHMZBOCLSA-N 327.381 0.889 70 20 ECID O=c1c([N+](=O)[O-])cc(Br)cn1CCS(=O)(=O)F 883953971 UADBOOVJVXOLBP-UHFFFAOYSA-N 329.103 0.818 70 20 ECID Cc1cnc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)s1 1133976657 QGWRNNDIFVDZJO-UHFFFAOYSA-N 346.409 0.957 70 20 ECID C[C@@H](CCS(C)(=O)=O)NC(=O)c1cccc(S(=O)(=O)F)c1 1340081471 BVUYHIOFBMCNJE-VIFPVBQESA-N 337.394 0.898 70 20 ECID CNC(=O)[C@@]1(C)CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1 1354954230 SEZPFKFJIDMVQG-HNNXBMFYSA-N 342.392 0.872 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1CO)CC2 160879944 JHZOXASFPUXENM-UPJWGTAASA-N 337.424 0.590 70 20 ECID O=S1(=O)CC[C@@H](NS(=O)(=O)Cc2noc3ccccc23)C1 218381053 JJHFFDOSVGDMAT-SECBINFHSA-N 330.387 0.434 70 20 ECID O=C(OC[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)F)c1 1119615203 RGCHLBWYEQEKSE-VIFPVBQESA-N 336.362 0.936 70 20 ECID CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)ccc2Cl)C1=O 1338080378 SMZHAMHPLXISAJ-JTQLQIEISA-N 334.756 0.959 70 20 ECID C#CCN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)F)c(OC)c1 1588419174 WBIARJGHTFYKPA-UHFFFAOYSA-N 329.305 0.513 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 161179769 JFEVZNZXVQZGOI-IRXDYDNUSA-N 348.443 0.981 70 20 ECID Cc1c(NC(=O)C(=O)NCC(=O)N(C)C)cnn1-c1ccccc1 160054938 ZFCLWHXHRFPSJE-UHFFFAOYSA-N 329.360 0.324 70 20 ECID O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)NC1CC=CC1 160361205 ZULNGCMWTNRITD-LLVKDONJSA-N 330.431 0.901 70 20 ECID O=C(Cc1ccc(-n2cnnn2)cc1)NCC1CCN(CCO)CC1 160674872 LKBJBQKXTLCCQQ-UHFFFAOYSA-N 344.419 0.025 70 20 ECID Cc1ccc(NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)cn1 160886114 VSQQQNFRKLPXSF-UHFFFAOYSA-N 346.431 0.899 70 20 ECID CCN(CC)CC(=O)N1CCN(Cc2nsc(N(C)C)n2)CC1 159839423 WXVJPQBCIZOLRE-UHFFFAOYSA-N 340.497 0.590 70 20 ECID O=C(NCC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CC1 1000600484 CHXFZJQHZOCPKZ-UHFFFAOYSA-N 329.353 0.271 70 20 ECID O=C(N[C@@H]1CCN(Cc2cnon2)C1)c1cc(S(=O)(=O)F)c[nH]1 1015716043 NLVBELISRPFNHL-MRVPVSSYSA-N 343.340 0.060 70 20 ECID O=C(NC[C@@H]1CCN1C(=O)C1CCC1)c1cc(S(=O)(=O)F)c[nH]1 952164316 RALPKRQHKDGUHE-JTQLQIEISA-N 343.380 0.804 70 20 ECID O=C(N[C@H]1CCC[C@H](NCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 981340907 PZGKMGIQJXPGQT-UWVGGRQHSA-N 333.385 0.296 70 20 ECID O=C(NC1CN(C(=O)CC2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 999956250 XFQHLFHDOAGOAO-UHFFFAOYSA-N 329.353 0.414 70 20 ECID O=C(NCCCNc1cc(F)ncn1)c1cc(S(=O)(=O)F)c[nH]1 1094800823 DEENAOOTBJGAOW-UHFFFAOYSA-N 345.331 0.834 70 20 ECID C[C@H](NC(=O)N[C@H](C)CN1CCOCC1)c1nnc2n1CCCC2 160595742 ORYHZGOBIUOJHV-OLZOCXBDSA-N 336.440 0.695 70 20 ECID C[C@@H](O)CN1CC[C@@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046627798 ITTVLLHQDMGJOM-NOZJJQNGSA-N 333.385 0.248 70 20 ECID CC(=O)N1CC[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 953225965 SUJFASYLARFKLE-MFKMUULPSA-N 343.380 0.756 70 20 ECID O=C(NCCNCc1csnn1)c1cc(S(=O)(=O)F)c[nH]1 1133977215 YXBKOBWXBYGOFS-UHFFFAOYSA-N 333.370 0.044 70 20 ECID C[C@@H](O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1085335813 PZDIXLDLKHWAMT-YUSALJHKSA-N 347.412 0.684 70 20 ECID C[C@H]1C[C@@H]1C(=O)N(C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1756069726 BUQQWWXSEPSYHY-NGZCFLSTSA-N 345.396 0.906 70 20 ECID C[C@H](CO)N(C)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 160382948 XALJHCWCWUJNGT-LLVKDONJSA-N 326.418 0.852 70 20 ECID CCC(=O)N1CCCC[C@@H]1C(=O)NCC1CCN(CCO)CC1 160583725 PSDJUEZHLOIHNA-OAHLLOKOSA-N 325.453 0.598 70 20 ECID CCN1CCN(CC(=O)N2CCc3c(F)cccc3C2)C(=O)C1=O 160921530 ZKSWRJLYVDVWSP-UHFFFAOYSA-N 333.363 0.401 70 20 ECID O=C1C[C@@H](C(=O)NC[C@H](c2cccs2)N2CCOCC2)CCN1 159676293 AWTZOQQXLYIISL-QWHCGFSZSA-N 337.445 0.764 70 20 ECID CCC[C@@H](C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)N(C)C 159482847 RAJJNOFESBACIJ-AWEZNQCLSA-N 345.451 0.742 70 20 ECID NS(=O)(=O)N1CCC(C(=O)NCCNC2CCCCCC2)CC1 159701047 HBVWQQZQSJAHFO-UHFFFAOYSA-N 346.497 0.331 70 20 ECID C#CCN1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@H]21 1036822990 AMRJXFAAPYDNKS-SMDDNHRTSA-N 339.392 0.843 70 20 ECID C[C@@H]1CC[C@@H](CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1133976987 WUMLKTDGZSADOH-ZJUUUORDSA-N 333.385 0.560 70 20 ECID CC(C)C(=O)N[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 966840159 INCQBEITWJMXPT-SKDRFNHKSA-N 345.396 0.906 70 20 ECID C#CCNC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C 1133125868 MWMIZBVPGGOMIB-NEPJUHHUSA-N 341.408 0.994 70 20 ECID CC#CCN1C[C@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 978719514 MJJVTRNMZMZQDY-STQMWFEESA-N 339.392 0.604 70 20 ECID C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2 159824814 VNEYKCZLEPBXGE-MCIONIFRSA-N 337.445 0.706 70 20 ECID Cn1nnc2c1CC[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C2 864243351 CSNMZTKWGONERO-JTQLQIEISA-N 338.364 0.761 70 20 ECID CC1(C)C[C@@H]1C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999950878 AQQVMAABJHBTPO-SNVBAGLBSA-N 343.380 0.660 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C[C@@H]2CCCO2)CC1 1527391726 UWIPYFHHTYGRPZ-NSHDSACASA-N 345.396 0.610 70 20 ECID O=C(NCC1CCN(CCO)CC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 160620968 DJLGZDQJPZBRJY-OAHLLOKOSA-N 349.431 0.449 70 20 ECID Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCC[C@@H]2OCC[C@H]12 159921568 YFESQHMPBHZZBT-USWWRNFRSA-N 328.390 0.923 70 20 ECID Cc1nc2ccccn2c1CN1CCC[C@H](CNS(N)(=O)=O)C1 159588500 NKMFAIFHLQSWBV-CYBMUJFWSA-N 337.449 0.648 70 20 ECID C=CCN1CCO[C@@](C)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1108219411 FMWGSINSPUNEPI-AWEZNQCLSA-N 345.396 0.680 70 20 ECID O=C(CCN1CCC[C@@H](c2nnc3n2CCC3)C1)N1CCOCC1 161396835 FJJYHLDDLBTQSS-CQSZACIVSA-N 333.436 0.653 70 20 ECID CCc1noc(C)c1NC(=O)C(=O)N1CCN(c2ncccn2)CC1 160146717 AEORZRTVEKAZNZ-UHFFFAOYSA-N 344.375 0.623 70 20 ECID CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC(N)(CC)CC)CC1=O 160433109 NUAIFALZEIPJJR-HUUCEWRRSA-N 338.496 0.953 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 160699061 FXQFWIHXFAHPHU-KOLCDFICSA-N 326.422 0.346 70 20 ECID O=C(NCCNc1ncncc1Cl)c1cc(S(=O)(=O)F)c[nH]1 1094126697 TUVPHWLWQDXVCX-UHFFFAOYSA-N 347.759 0.958 70 20 ECID C[C@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)[C@@H]1CN(C)CCO1 1338013488 UMOITMQQPKUYKB-FZMZJTMJSA-N 344.408 0.723 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 160698950 FXQFWIHXFAHPHU-MWLCHTKSSA-N 326.422 0.346 70 20 ECID CC(=O)N[C@H]1CCCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 943013427 QQWFOKKNIQMYNV-JTQLQIEISA-N 331.369 0.804 70 20 ECID C=C(C)CN1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 958413467 PAPTUGZMFCQHMQ-GWCFXTLKSA-N 345.396 0.272 70 20 ECID C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337578162 QSOCGSHEHCITAT-NOZJJQNGSA-N 328.365 0.528 70 20 ECID C[C@H]1CN(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)CO1 1347256711 ROPCZBDBZWEWTK-ZJUUUORDSA-N 333.385 0.512 70 20 ECID O=C(NCc1nnc2n1CCCCC2)c1cc(S(=O)(=O)F)c[nH]1 1345451479 KMZQYOKYOUSWHI-UHFFFAOYSA-N 341.368 0.921 70 20 ECID CCN[C@]1(CO)CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1755089135 IZGWKGQWXSEBDW-CYBMUJFWSA-N 333.385 0.250 70 20 ECID CS(=O)(=O)CCCCN1CCc2cc(S(N)(=O)=O)ccc21 161306798 NVEKTYSXAVVKRQ-UHFFFAOYSA-N 332.447 0.521 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)NCC(C)(C)C(=O)NC)c1CC 160135845 NGVHLCWCXVPIJF-UHFFFAOYSA-N 337.424 0.466 70 20 ECID C[C@H]1[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1CCCO 993819167 GBNJUPCLIJEPJZ-CMPLNLGQSA-N 347.412 0.638 70 20 ECID CO[C@H](C)CN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185730371 AUZWRTSQZFCIFA-NXEZZACHSA-N 333.385 0.512 70 20 ECID CO[C@H](C)CNC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC1 1754986972 BAHIMFOANSIWLO-SNVBAGLBSA-N 347.412 0.950 70 20 ECID O=c1cc(NCCNS(=O)(=O)c2cccnc2)nc2ccccn12 161229166 JMAXUAXBWGJYKL-UHFFFAOYSA-N 345.384 0.480 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 161472409 JXXWMUCCIWNFHN-JYVUQVBGSA-N 326.437 0.927 70 20 ECID CN(C)c1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cn1 160690744 SSAKVSLXZFMMOR-AAEUAGOBSA-N 340.449 0.595 70 20 ECID Cc1cccc(F)c1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 160816562 GOGDNUKGKFEYKT-UHFFFAOYSA-N 327.337 0.332 70 20 ECID CC1(C)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCO 1519746142 SGKSKDPOXIOADS-UHFFFAOYSA-N 333.385 0.202 70 20 ECID O=C(NCCn1cccc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 160080416 YAEDGDRFXZPIEF-AWEZNQCLSA-N 331.376 0.619 70 20 ECID CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@H]3CN)ccc21 160192738 SRXVCSRVLNZKNJ-AWEZNQCLSA-N 337.445 0.962 70 20 ECID COC[C@@H](O)CNS(=O)(=O)c1cc(F)ccc1Br 160897447 OJHJLHGNWWGTKS-QMMMGPOBSA-N 342.186 0.874 70 20 ECID COC[C@@H](O)CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl 160911559 LFZXKBVQOKDMJG-VIFPVBQESA-N 340.804 0.753 70 20 ECID Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H](CO)Cc1ccccc1 159962569 NGWUVRHRBUTDHT-CQSZACIVSA-N 340.383 0.593 70 20 ECID COC[C@@H](C)N[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209678363 LYGRFYMOLDJJKU-GHMZBOCLSA-N 347.412 0.902 70 20 ECID O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)NC1CC=CC1 160361314 ZULNGCMWTNRITD-NSHDSACASA-N 330.431 0.901 70 20 ECID CN[C@H]1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)C1 160707647 GCXZOAFPAGEOOU-RISCZKNCSA-N 337.445 0.831 70 20 ECID C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccnc2c(C(N)=O)cnn12 159834400 IXVKWOSXXPJMFI-SNVBAGLBSA-N 339.355 0.895 70 20 ECID Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(C(C)C)CC2)c1 159720281 RVFGEIGKGRRCNQ-UHFFFAOYSA-N 325.434 0.809 70 20 ECID C=C(C)CN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1083786244 QGHVSWFDNMMQOK-NEPJUHHUSA-N 331.369 0.024 70 20 ECID C[C@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1CC#N 993824368 LAXGDRIFTQGIMZ-ONGXEEELSA-N 328.369 0.779 70 20 ECID O=C(NC1CN(C(=O)C=C2CCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 999952724 NUKCMOALNRSLLZ-UHFFFAOYSA-N 341.364 0.724 70 20 ECID C#CCNC[C@]1(C)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1182645092 OQPDVVAUXGGXGD-IAQYHMDHSA-N 341.408 0.994 70 20 ECID O=C(N[C@H]1CCOC12CCOCC2)c1cc(S(=O)(=O)F)c[nH]1 1347755270 MDEUNZBFOAQCRJ-NSHDSACASA-N 332.353 0.741 70 20 ECID CCCNC(=O)CN(C)C(=O)CN1CCN(c2ccncc2)CC1 161362495 VMRNCJZIBVFXRV-UHFFFAOYSA-N 333.436 0.188 70 20 ECID CCCCn1c(N)c(N(C)C(=O)c2ccnn2C(C)C)c(=O)[nH]c1=O 160249983 XGMGYOFPSMBKOQ-UHFFFAOYSA-N 348.407 0.973 70 20 ECID NC(=O)[C@@H]1CCCN1C1CCN(CC(=O)N2CCCCCC2)CC1 159375365 UWTXYJDRVODUPL-INIZCTEOSA-N 336.480 0.803 70 20 ECID O=C(N[C@H]1CCCN(C(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 949629967 MPNQIZCURHONMC-JTQLQIEISA-N 343.380 0.804 70 20 ECID CCC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 977209171 YHBJGUNOJURJFL-GDGBQDQQSA-N 329.353 0.270 70 20 ECID CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 980742036 YYOGXGNTSUHELU-VHSXEESVSA-N 331.369 0.708 70 20 ECID Cc1nnc(CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)o1 1166871582 KLSGORLXTZMJBR-UHFFFAOYSA-N 345.356 0.274 70 20 ECID COCCOC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1347457261 ANMKTHGTLDWLAT-UHFFFAOYSA-N 334.369 0.941 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 161432189 ZRQAOQZGPWBLCR-YOEHRIQHSA-N 347.415 0.729 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N(C)CCCn2ccnc2)co1 160068697 KDVXLTGGQYCTPE-UHFFFAOYSA-N 326.378 0.547 70 20 ECID CCC(=O)N1C[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 970976492 GMWFBAGFKYRIGV-BXKDBHETSA-N 343.380 0.756 70 20 ECID COCCCNC(=O)CN(C)[C@H](C)C(=O)NCc1ccccc1F 159463191 XZYIIJGQWJKEOX-CYBMUJFWSA-N 339.411 0.915 70 20 ECID NS(=O)(=O)c1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cs1 159879018 LLYSESBBXUFPRE-DGCLKSJQSA-N 338.410 0.784 70 20 ECID CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCO)s2)CC1 159498911 JHSPXMQWQHRVAE-UHFFFAOYSA-N 332.447 0.891 70 20 ECID O=C1C[C@@H](C(=O)NCc2cccc(Br)c2)NC(=O)N1 217129296 MQNBZTJRYCRPDI-VIFPVBQESA-N 326.150 0.663 70 20 ECID O=S(=O)(F)c1ccc(S(=O)(=O)N2CCN3CC[C@H]2C3)cc1 864242268 ZVCNGAIWYKXJLP-JTQLQIEISA-N 334.394 0.423 70 20 ECID O=C(NCCNC[C@@H]1CCCOC1)c1cc(S(=O)(=O)F)c[nH]1 1133977048 XRXDKIRNODQOSZ-JTQLQIEISA-N 333.385 0.419 70 20 ECID C[C@H](O)CN(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 972360185 WNHIFZNCSVHVMN-UWVGGRQHSA-N 333.385 0.200 70 20 ECID O=C(N[C@@H]1CCc2ncnn2C1)N1CCO[C@@H](c2nccs2)C1 161122894 DBVOYVZDYFIMHY-GHMZBOCLSA-N 334.405 0.833 70 20 ECID CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCCNC1)CC2 160030042 KLXAHSWSBAFLBH-ZDUSSCGKSA-N 337.445 0.826 70 20 ECID O=C1CC[C@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)N1 159803162 IFFUVEFVAPLXNE-VXGBXAGGSA-N 339.754 0.979 70 20 ECID CN(CC1CC1)C(=O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 159461146 TZGCUGZVFFXNAR-UHFFFAOYSA-N 332.404 0.001 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)COC[C@H]1CCCO1 159712312 VKJDRGLMQUPTRI-OAHLLOKOSA-N 328.453 0.999 70 20 ECID CC(=O)N1CC=C(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1017741880 ANQBEQWWPVFEAP-UHFFFAOYSA-N 329.353 0.581 70 20 ECID O=[N+]([O-])c1ccc(N[C@@H](CO)c2cnn[nH]2)c(CS(=O)(=O)F)c1 1578049298 VPBHEGBFNLMAOJ-NSHDSACASA-N 345.312 0.658 70 20 ECID O=S(=O)(NCC1(O)CCCCC1)c1cccc(-n2cnnn2)c1 159824193 CRHIZCLBSINEOS-UHFFFAOYSA-N 337.405 0.636 70 20 ECID CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)o1 159912315 YCGLGKNSYVNICL-GMTAPVOTSA-N 328.390 0.875 70 20 ECID C[C@@H]1[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)CCS1(=O)=O 864243460 KFVGLXZKEIWIGW-LDYMZIIASA-N 335.378 0.650 70 20 ECID C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NCCn1cccn1)C2=O 161040522 DADKWTAGMUOHAF-STQMWFEESA-N 347.419 0.746 70 20 ECID CC(C)(C)NC(=O)CNC(=O)CNc1ccc(-n2cnnn2)cc1 161194751 HFKHPOSGRLVLOF-UHFFFAOYSA-N 331.380 0.105 70 20 ECID C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccnc2)CC1 161462210 SFAZRQXWPAMLAM-CYBMUJFWSA-N 327.450 0.795 70 20 ECID CC(=O)NCCc1ccc(S(=O)(=O)N(C)C[C@@H](O)C2CC2)cc1 161470973 KAIKLTQVRBPMJL-MRXNPFEDSA-N 340.445 0.757 70 20 ECID CN(CC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccccc1 159461947 XENISUPQGYLCCE-ZDUSSCGKSA-N 325.434 0.521 70 20 ECID O=S1(=O)CC[C@H](NS(=O)(=O)Cc2c(F)cccc2F)C1 159951694 VTAMDLCZFUKMBO-QMMMGPOBSA-N 325.358 0.571 70 20 ECID COCCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028140984 CDDMNBBOWNWVPY-SNVBAGLBSA-N 333.385 0.514 70 20 ECID Cn1nnc2c1CC[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C2 1338944922 ULVQNEGMDJFYSZ-JTQLQIEISA-N 338.364 0.761 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@]1(C)CCS(=O)(=O)C1 1515459550 QWQXQRNUJCBOIG-CYBMUJFWSA-N 349.405 0.960 70 20 ECID CCOC(=O)CN(CC(N)=O)C(=O)Cc1c[nH]c2cc(F)ccc12 161336203 JLFFBELSMJYMEH-UHFFFAOYSA-N 335.335 0.727 70 20 ECID CCCC(O)(CCC)CC(=O)NCCN1CCS(=O)(=O)CC1 159915691 RXOCBMQUSJCZCI-UHFFFAOYSA-N 334.482 0.554 70 20 ECID Cc1oc(C(=O)N[C@H]2CCC[C@@H]3OCC[C@H]23)cc1S(N)(=O)=O 159799464 ZRLPCHKOZJQLRS-VWYCJHECSA-N 328.390 0.923 70 20 ECID C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1CNCCO 1133124531 BEBVHDGNQSWLSL-QWRGUYRKSA-N 347.412 0.353 70 20 ECID CN(CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)[C@H]1CCSC1 160585943 LCDOOCHMRFWZTD-GJZGRUSLSA-N 333.457 0.863 70 20 ECID CC(C)(F)C(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 939076217 XYCGKJGUYKEOLO-MRVPVSSYSA-N 349.359 0.752 70 20 ECID CCO[C@H]1C[C@](O)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1(C)C 1519746387 VPOYZWFLIOPCGN-FZMZJTMJSA-N 348.396 0.969 70 20 ECID COC(=O)c1cc(CN(C)C[C@H](O)CN2CCOCC2)oc1C 159409632 PQXPUVDKOMEKPJ-ZDUSSCGKSA-N 326.393 0.500 70 20 ECID CS(=O)(=O)N1CC[C@H](CNC(=O)/C=C/c2cncc(F)c2)C1 159705804 ZEUPEAKFCRVYHS-QAVQXKDTSA-N 327.381 0.632 70 20 ECID COC[C@H](O)CCNC(=O)C(=O)Nc1cccc(Br)c1 159530853 XYCFIIPSBIMBKX-LLVKDONJSA-N 345.193 0.901 70 20 ECID C[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 159362886 XDNGNOQVSURBOG-HOTGVXAUSA-N 337.464 0.816 70 20 ECID COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(Br)cc1 159583841 TYJQHQUMFQFXNQ-LLVKDONJSA-N 345.193 0.901 70 20 ECID CC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1018459301 MBCORNVXQGDRPP-KOLCDFICSA-N 345.396 0.907 70 20 ECID COc1cc(Br)ccc1C(=O)N[C@H]1CC(=O)N(C)C1=O 160689213 UJRLHTDKLSQNPI-VIFPVBQESA-N 341.161 0.945 70 20 ECID CC(C)N1C[C@@H](NC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O 217289093 HKQBAFMPDNKLDK-ZDUSSCGKSA-N 348.403 0.756 70 20 ECID CS(=O)(=O)Nc1ccc(NC(=O)N2CCN(CCO)CC2)cc1 217282704 KZARVAKKGXUQGN-UHFFFAOYSA-N 342.421 0.200 70 20 ECID CC(C)CN1C[C@@H](O)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958413696 SQHNQFJLOVDTNP-GXFFZTMASA-N 347.412 0.351 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)NC[C@@H](C)S(C)(=O)=O 1338030925 XWXPBWHHZFBZKN-SECBINFHSA-N 337.394 0.816 70 20 ECID O=C1N[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]2CO1 1349622345 KVUQZCIJABMKNG-APPZFPTMSA-N 331.325 0.243 70 20 ECID CN(CCCO)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192394634 DKYIQJLBDFDCKI-SNVBAGLBSA-N 333.385 0.202 70 20 ECID NC(=O)CN1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1 160845554 WPEVXVMKGGDPET-UHFFFAOYSA-N 333.417 0.285 70 20 ECID CCc1nn(C)c(Cl)c1C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 159608890 GEGONARSCJJRQL-MRVPVSSYSA-N 334.829 0.400 70 20 ECID CCN1CCCN(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 159918584 UMELNFOMRNTATQ-CQSZACIVSA-N 348.451 0.653 70 20 ECID C#CCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1044746101 FTRZGJOBFMGNMI-GHMZBOCLSA-N 327.381 0.889 70 20 ECID O=C(NCc1nnnn1CC1CC1)c1ccc(S(=O)(=O)F)cc1 864241264 PSVCDRVLFZBYCD-UHFFFAOYSA-N 339.352 0.671 70 20 ECID COc1cccc(N2C(=O)C(=O)N(CCS(=O)(=O)F)C2=O)c1 883953966 SWSWNRPROKCXME-UHFFFAOYSA-N 330.293 0.290 70 20 ECID C#CCCN1C[C@H]2CC[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 971827791 YNKKVBMBOOTZOD-NWDGAFQWSA-N 339.392 0.985 70 20 ECID O=C(NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)c1ccoc1 990240486 NAUJSGGQZSGIMR-UHFFFAOYSA-N 341.320 0.520 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@]1(C(=O)O)CCOC1 1605219550 DSQBJCLEQPRUCQ-CYBMUJFWSA-N 331.321 0.627 70 20 ECID Cc1c(NC(=O)C(=O)N2CCNC(=O)C2)cnn1-c1ccccc1F 160294289 ZAYKJMGGWLMZIZ-UHFFFAOYSA-N 345.334 0.217 70 20 ECID Cn1cc(N2CC[C@H](NC(=O)[C@H]3CCCCCC[C@@H]3N)C2=O)cn1 159611857 GETPTKURWFENSJ-KKUMJFAQSA-N 333.436 0.939 70 20 ECID C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1ncccn1 1098288548 PRVMFHKPWMQWMT-QMMMGPOBSA-N 327.341 0.693 70 20 ECID CNC(=O)C[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)F)cc1 1339060238 RCKJHMPJMGPSKL-JTQLQIEISA-N 330.381 0.918 70 20 ECID CN(C)CCn1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1262732739 SKOVACCTTXZSJR-UHFFFAOYSA-N 329.357 0.683 70 20 ECID Cc1cc(C[C@H](C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n[nH]1 161230713 VPHSVHRQNJEWJE-JQWIXIFHSA-N 328.438 0.437 70 20 ECID CCCN(CC1CC1)S(=O)(=O)NC[C@@H](C)CN1CCOCC1 160389319 KJUWUEHMEWSIAG-CQSZACIVSA-N 333.498 0.911 70 20 ECID CC(C)C[C@@H](C)NC(=O)NCCNS(=O)(=O)Cc1ccon1 159382352 YRNRUTZBAAEMBE-LLVKDONJSA-N 332.426 0.828 70 20 ECID CC(C)(N)CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 159981729 MJBAGBNOBYQTPI-UHFFFAOYSA-N 335.376 0.487 70 20 ECID CCS(=O)(=O)N1CCC(C(=O)NC[C@](C)(O)CSC)CC1 217677643 XBZNLGWHEACTKM-ZDUSSCGKSA-N 338.495 0.278 70 20 ECID CCN(C(=O)N[C@@H]1CC(=O)N(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 217288647 RZIGEJUDIKOXBN-NEPJUHHUSA-N 331.438 0.214 70 20 ECID NC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccccn1 864240825 CNRWVXOXQMNHEJ-LBPRGKRZSA-N 337.332 0.696 70 20 ECID C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942442567 TWMTWAPFNCNYEK-NGZCFLSTSA-N 343.380 0.660 70 20 ECID CC#CCN1CCC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1072990270 VOZNZPYOCIDIOK-UHFFFAOYSA-N 339.392 0.844 70 20 ECID O=C(NC[C@H](C(=O)O)[C@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1601457369 SZIVVJWNLDLMQX-CBAPKCEASA-N 334.325 0.140 70 20 ECID C[C@H]1Cc2cc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)ccc2O1 161484179 RXSMIYWVKKYMEK-XHDPSFHLSA-N 328.434 0.601 70 20 ECID Cn1cnc(S(=O)(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1Cl 160182427 MGLCCCQWDBZVOK-RKDXNWHRSA-N 332.813 0.363 70 20 ECID O=C(c1cc[nH]c(=O)c1)N1CCN(C(=O)c2ccccc2O)CC1 160517814 KWTPDZYPHZWEFY-UHFFFAOYSA-N 327.340 0.679 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(N2CCCC2)nn1 160613829 WMGBTMSZEKZSFK-CQSZACIVSA-N 333.436 0.653 70 20 ECID Cc1noc(C)c1CC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 160714836 LJQQWDBRSKAVNO-WCQYABFASA-N 329.422 0.668 70 20 ECID CC(C)C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 160791133 GQORHOUUDXJOTN-QWHCGFSZSA-N 328.434 0.877 70 20 ECID CC(=O)N1CC[C@H](NC(=O)[C@H](c2ccccc2)N2CCN(C)CC2)C1 159411900 GVYSIXNQNCOVQE-ROUUACIJSA-N 344.459 0.712 70 20 ECID Cc1c[nH]c(=O)n1-c1ccc([C@H](C)N[C@@H](C)C(=O)NC(N)=O)cc1 159854507 PTFWJRFIHUTZOJ-QWRGUYRKSA-N 331.376 0.708 70 20 ECID CNC(=O)[C@@H](NC(=O)CN(C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 159480722 XEKFQTFWJJGVTM-ZOBUZTSGSA-N 333.432 0.683 70 20 ECID Cc1ccc(S(=O)(=O)N2CCN(Cc3cnnn3C)CC2)cc1C 159500108 GFKHSSHOBJLNQL-UHFFFAOYSA-N 349.460 0.938 70 20 ECID C[C@@H](O)CN1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C(C)(C)C1 975044486 AZNHTWRGDVRMHZ-SKDRFNHKSA-N 347.412 0.494 70 20 ECID CO[C@H](C)CN[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209679153 QRIZHXFLUQVOFO-GHMZBOCLSA-N 347.412 0.902 70 20 ECID CN1CC[C@H](N(C)C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1=O 1340648983 UPAFAMAPAPOWJW-LBPRGKRZSA-N 328.365 0.576 70 20 ECID CCCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CC(=O)N(C)C1=O 1347339848 IUNAJHCCFCUSLS-SNVBAGLBSA-N 345.352 0.282 70 20 ECID O=C(Nc1cccnc1-n1cncn1)c1cc(S(=O)(=O)F)c[nH]1 1354461458 KWYRRKQFQRJEOC-UHFFFAOYSA-N 336.308 0.901 70 20 ECID C=C(C)CN1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035511235 PCKPVJATCPHDLX-LLVKDONJSA-N 345.396 0.680 70 20 ECID CO[C@H](C)CN1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1043896406 OXEZOLWGKIYRSE-SECBINFHSA-N 333.385 0.464 70 20 ECID Cc1noc(C)c1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133977181 YFHBHRIOWAXFPE-UHFFFAOYSA-N 344.368 0.797 70 20 ECID CN(C)C(=O)CN1CCC(NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)CC1 161092693 GTYVVDVDKFTHDN-ZFWWWQNUSA-N 340.468 0.341 70 20 ECID Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C[C@@H]2CCCN2)cc1 161406901 LGQXJDYCKPHRAB-AWEZNQCLSA-N 339.461 0.874 70 20 ECID C[C@H]1C[C@H](C)CN(S(=O)(=O)NCC2CCN(CCO)CC2)C1 161410516 AKCRXGXKFNJOML-KBPBESRZSA-N 333.498 0.503 70 20 ECID CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)CN1CCCCC1 160161160 RVRHSJKOACBIQA-CABCVRRESA-N 340.468 0.532 70 20 ECID Cc1ccoc1C(=O)NCCCNS(=O)(=O)C[C@@H]1CCOC1 160258401 UVDOAIKQVCUMMV-GFCCVEGCSA-N 330.406 0.664 70 20 ECID CCC[C@@H](NC(N)=O)C(=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1 160354386 GZCNZURHFCWGAE-QLFBSQMISA-N 340.468 0.708 70 20 ECID CC(C)[C@H](CCO)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 160525967 CONPCIBQUWPWKV-AWEZNQCLSA-N 333.388 0.603 70 20 ECID O=C1CCN(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)C(=O)N1 275011189 XGSMNBGULNQVPC-UHFFFAOYSA-N 329.309 0.225 70 20 ECID CC[C@H](CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)OC 1015716603 ZEHPMKABCBCKQT-WDEREUQCSA-N 347.412 0.902 70 20 ECID CO[C@@H](C)C(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952162901 KGBZGTRNEWPNPL-IUCAKERBSA-N 347.368 0.039 70 20 ECID CC(C)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1051829017 RKUIFJYPQFRVNY-SNVBAGLBSA-N 333.385 0.512 70 20 ECID O=C1CN(S(=O)(=O)CCCS(=O)(=O)F)c2ccccc2N1 170608105 DUVOFWTVXMTOTR-UHFFFAOYSA-N 336.366 0.464 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(c2ncc[nH]2)CC1 1349612231 WKXDGFRAPNBZCH-UHFFFAOYSA-N 327.341 0.358 70 20 ECID C[C@@H](O)[C@H]1CCCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 160962914 MDKXHZLKUCTIKA-MNOVXSKESA-N 330.406 0.763 70 20 ECID CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2cnc(C(F)(F)F)nc2)O1 159897308 QYILNCVZDHFJBJ-VHSXEESVSA-N 346.309 0.861 70 20 ECID O=C(NC[C@H]1CCN1C[C@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1038710840 RCVAXDWLTBMGDN-GHMZBOCLSA-N 345.396 0.514 70 20 ECID CCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 959303820 YYQBRGRYKISTHW-ZJUUUORDSA-N 345.396 0.907 70 20 ECID O=C(NCCCNCc1cnns1)c1cc(S(=O)(=O)F)c[nH]1 1166871456 FSKFCRNHJPBPPM-UHFFFAOYSA-N 347.397 0.434 70 20 ECID C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(Cc2ccncc2)CC1 161181192 IBGARUVESHOCQE-WBVHZDCISA-N 332.448 0.883 70 20 ECID O=C(CCN1CCCC1=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 160321912 NHMDQQCJADICMB-CVEARBPZSA-N 337.464 0.883 70 20 ECID C[C@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)N1C(=O)NC2(CCCC2)C1=O 160646865 UCBLLUPLKHYGRA-UPJWGTAASA-N 334.420 0.592 70 20 ECID COCCCn1ccc(NC(=O)N[C@H](C)[C@H]2CN(C)CCO2)n1 159902262 PGAQFSFHVYSTLA-CHWSQXEVSA-N 325.413 0.760 70 20 ECID Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CCCS1(=O)=O 159734823 GYHBQCUGCYVEMX-UONOGXRCSA-N 340.449 0.943 70 20 ECID O=S(=O)(N1CCOCC1)N1CCO[C@@]2(CCc3ccccc32)C1 159772947 OVCCNVTXUMZSBQ-INIZCTEOSA-N 338.429 0.737 70 20 ECID CC(C)N1CCO[C@@](C)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1108221109 TXBZRRDUSFCCGM-AWEZNQCLSA-N 347.412 0.902 70 20 ECID Cc1cc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)no1 1133976119 IVFDQZRMFKBNFH-UHFFFAOYSA-N 330.341 0.489 70 20 ECID C[C@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1CCO 993824852 MCGOVDABUQAGKN-ONGXEEELSA-N 333.385 0.248 70 20 ECID COC[C@H](C)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1080466094 LKYYZPXRJAWWFO-GBIKHYSHSA-N 347.412 0.758 70 20 ECID O=C(O)[C@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)CCO1 849343910 WSAHWELYABRCCD-RXMQYKEDSA-N 343.226 0.231 70 20 ECID CCCC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 948097365 RFMSYJQUYCAWAH-WLTAIBSBSA-N 343.380 0.802 70 20 ECID COCCN1CCC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1072989432 ITENHZBHMWJUPT-UHFFFAOYSA-N 345.396 0.467 70 20 ECID C[C@@H](O)CN1CC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085819927 LVNYXRINUZINBV-ZJUUUORDSA-N 333.385 0.200 70 20 ECID COC(=O)C[C@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOC1 1337361463 SBWNFPUQBZNEGV-GFCCVEGCSA-N 334.325 0.125 70 20 ECID O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(S(=O)(=O)F)c[nH]1 1519746721 ZOWKWJXZEQMSQH-UHFFFAOYSA-N 331.285 0.208 70 20 ECID Cn1cnnc1CN1CCN(CC(=O)NCc2ccccc2)CC1 160739746 SVCNQBJZKMWAPR-UHFFFAOYSA-N 328.420 0.249 70 20 ECID C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](O)Cc1ccccc1 160963098 ITRAGQMYWWWDCQ-IACUBPJLSA-N 326.418 0.465 70 20 ECID Cc1cc(N[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nn1C 159676961 IOENIWNJCIUCHW-JTQLQIEISA-N 337.405 0.815 70 20 ECID CC(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1077691109 NVWHWSJYHVGKFD-CHWSQXEVSA-N 347.412 0.494 70 20 ECID CO[C@@H](C)CN1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 981977399 GGMNDBOWANJJHZ-NSHDSACASA-N 347.412 0.856 70 20 ECID CCC(N)(CC)CNC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C 160454375 UBJRESBDJVSBFJ-JTQLQIEISA-N 346.453 0.592 70 20 ECID CN(C(=O)N[C@H]1CCN(C2CCCC2)C1)[C@@H]1CCS(=O)(=O)C1 160905688 YPSTXBHJJOIQBN-GXTWGEPZSA-N 329.466 0.832 70 20 ECID CNS(=O)(=O)c1cc(C(=O)NCc2cn3ccccc3n2)co1 159493934 OFQPXMMNCUMCMO-UHFFFAOYSA-N 334.357 0.765 70 20 ECID CO[C@@H](C)CN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141901 UJFGIRXOLPJNKO-QWRGUYRKSA-N 347.412 0.902 70 20 ECID O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(S(=O)(=O)F)c[nH]1 1121185492 RGFFOPPFVAGVFN-GZMMTYOYSA-N 329.353 0.556 70 20 ECID COCCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 993825938 PLTCEGSBLNKFLQ-ZYHUDNBSSA-N 347.412 0.902 70 20 ECID O=C(N[C@H]1CCC[C@@H]1CNCCO)c1cc(S(=O)(=O)F)c[nH]1 1753893634 KQDHWRPLZIJQAB-KOLCDFICSA-N 333.385 0.153 70 20 ECID CNC(=O)CN1CCN(C(=O)Nc2ccn(CCC(C)C)n2)CC1 161389803 AKYLJWXOJSPFBS-UHFFFAOYSA-N 336.440 0.825 70 20 ECID Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3nncs3)ccc21 160554826 VZKSIVYAHMXBFK-UHFFFAOYSA-N 325.375 0.529 70 20 ECID CCCC(=O)N1CCC[C@@H](C(=O)NCC2CCN(CCO)CC2)C1 160646319 GLTQNXCHCDJGDO-MRXNPFEDSA-N 339.480 0.846 70 20 ECID CCOC(=O)c1ccc(N2CCN(Cc3nncn3C)CC2)nc1 160761717 DFSAMLVYVJVJSV-UHFFFAOYSA-N 330.392 0.709 70 20 ECID COC[C@@H](O)CNC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 159442691 JBGDNANBBXITQL-CJNGLKHVSA-N 339.411 0.460 70 20 ECID COCCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CC1=O 460093557 PSWIZGQRTZSFSA-SNVBAGLBSA-N 344.364 0.778 70 20 ECID CCN1CCO[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 1074340838 MSAUHZCBVAXBQV-QWHCGFSZSA-N 345.396 0.608 70 20 ECID Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]2CCC[C@@H]2N)cc1 161403412 YSYMKCLGKDNHRF-CABCVRRESA-N 339.461 0.859 70 20 ECID CC[C@@H]1CN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C[C@H](C)O1 160550963 LTJAASLYWJCUMP-YNEHKIRRSA-N 337.424 0.948 70 20 ECID CC(C)(C)N1C[C@@H](NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1=O 159560144 NQDSNJHGPYEIPW-QWHCGFSZSA-N 336.436 0.838 70 20 ECID COC(=O)[C@@H](O)CNC(=O)CCOc1cccc(Br)c1 217735224 NKCHKYRVDIXGIB-NSHDSACASA-N 346.177 0.868 70 20 ECID O=C(NNC(=O)[C@H]1CCCCO1)c1ccc(S(=O)(=O)F)cc1 865210963 IDZJLVHOGXNRHW-LLVKDONJSA-N 330.337 0.675 70 20 ECID CC(C)=CC(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355561 SRPRDQPEPRWCNS-UHFFFAOYSA-N 343.380 0.922 70 20 ECID C[C@@H](O)CN1C[C@H]2CC[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 971826160 AOHPNHUOXLKZTJ-OUAUKWLOSA-N 345.396 0.343 70 20 ECID C[C@@H]1C[C@@H]1CC(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999957313 WKVCIQPCMSJUSP-RKDXNWHRSA-N 343.380 0.660 70 20 ECID O=C(N[C@]12CCC[C@H]1N(CCO)CC2)c1cc(S(=O)(=O)F)c[nH]1 992191703 RONIQWXULGXXPZ-OCCSQVGLSA-N 345.396 0.392 70 20 ECID COc1cc(CCC(=O)N2CCN(CC(N)=O)CC2)ccc1Cl 161126607 ATGDXIRMMZKJBL-UHFFFAOYSA-N 339.823 0.911 70 20 ECID COc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1C 161419591 SCKOGLUZUAANHL-UHFFFAOYSA-N 342.461 0.986 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)c1ccccc1)CC2 160576772 HCRALWHULICOOJ-UONOGXRCSA-N 345.403 0.772 70 20 ECID Cc1oc(C(=O)N[C@@H](CO)CC(C)C)cc1S(=O)(=O)N(C)C 160718689 IGBRLBRJOOCGRA-LLVKDONJSA-N 332.422 0.975 70 20 ECID Cc1nc2ccccn2c1CN1CCC[C@@H](CNS(N)(=O)=O)C1 159588659 NKMFAIFHLQSWBV-ZDUSSCGKSA-N 337.449 0.648 70 20 ECID C#CCCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1017958439 HUUVDOQXDCGCLE-TXEJJXNPSA-N 339.392 0.985 70 20 ECID COCCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)CC1=O 460093555 PSWIZGQRTZSFSA-JTQLQIEISA-N 344.364 0.778 70 20 ECID CCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1006984319 LKXLOFMHQSOFGS-VHSXEESVSA-N 343.380 0.898 70 20 ECID O=C(CN1CSCC1=O)Nc1ccc(S(=O)(=O)F)c(F)c1 857674442 JZLQIRLUKDZJDM-UHFFFAOYSA-N 336.341 0.955 70 20 ECID C[C@H](CNc1ncc(F)cn1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1108115272 XZYIGMWRBNEOCY-SSDOTTSWSA-N 345.331 0.832 70 20 ECID O=C(NCCNC[C@H]1CCCOC1)c1cc(S(=O)(=O)F)c[nH]1 1133977049 XRXDKIRNODQOSZ-SNVBAGLBSA-N 333.385 0.419 70 20 ECID O=C(N[C@H](CO)Cc1ccncc1)c1cc(S(=O)(=O)F)c[nH]1 1346928891 JARJMRQEHAJPLL-JTQLQIEISA-N 327.337 0.401 70 20 ECID Cc1nc(CCNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)sc1C 160092009 JWEAHPGPSKTURI-LBPRGKRZSA-N 345.490 0.538 70 20 ECID CC(C)(CO)CCCNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 160367166 YBWKTVUWHVBEEE-UHFFFAOYSA-N 347.415 0.995 70 20 ECID CCc1cc(O)nc(CN2CCC(C(=O)N3CCOCC3)CC2)n1 160548072 IQMBGIUSXDJEAH-UHFFFAOYSA-N 334.420 0.815 70 20 ECID CC(=O)c1cn(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)nn1 865205558 YPVKITNNNVWHSO-UHFFFAOYSA-N 326.309 0.778 70 20 ECID CC(=O)NCC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOCC1 1070256847 VGCPXJHNBAILPJ-UHFFFAOYSA-N 347.368 0.088 70 20 ECID COC[C@H](C)N1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 981978433 XGQUIBLGHLWZAI-NSHDSACASA-N 347.412 0.856 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN2CC(F)(F)C[C@H]2C1 1340966418 PLHZMJCKQBVVLZ-QMMMGPOBSA-N 337.323 0.838 70 20 ECID Cn1cc(S(=O)(=O)NC[C@H](O)Cc2ccccc2)cc1C(N)=O 161075643 XXGGUPAUDBPXJD-GFCCVEGCSA-N 337.401 0.006 70 20 ECID CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H](C)CO)cc2C[C@H]1C 159702338 CHDSBHJYXITEHE-GHMZBOCLSA-N 326.418 0.891 70 20 ECID CC[C@@H]1CCC[C@@H]1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O 159525623 WRTRSBYKXQUZBE-SCZZXKLOSA-N 344.209 0.994 70 20 ECID Cc1ccc(NC(=O)C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cn1 159926719 YMHKAGLONJQZEH-KBPBESRZSA-N 334.420 0.944 70 20 ECID O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCO)c1cc(S(=O)(=O)F)c[nH]1 1097873812 XCBUWTWCEBFUOD-UISBYWKRSA-N 331.369 0.000 70 20 ECID CS(=O)(=O)c1nc(C(=O)N[C@H]2CCC[C@@H](N)C2)c2ccccn12 161068484 QHJLQUKLMBMNPQ-MNOVXSKESA-N 336.417 0.738 70 20 ECID CCN(C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 217285901 MYWFTYUSKVYZLY-NEPJUHHUSA-N 345.465 0.604 70 20 ECID CCOCCN1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 1114849127 KXPWGPDKCPZEKD-PJXYFTJBSA-N 345.396 0.369 70 20 ECID O=C(NCCNCc1cccnc1)c1cc(S(=O)(=O)F)c[nH]1 1133976016 GSKNWQRMLQAXAZ-UHFFFAOYSA-N 326.353 0.588 70 20 ECID CC(C)N(CCS(C)(=O)=O)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1340086978 DSJNSPQSLMETNV-UHFFFAOYSA-N 340.398 0.568 70 20 ECID C[C@@H](CCO)CNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 160970364 NIBLLJVKVJBJOD-IINYFYTJSA-N 336.367 0.380 70 20 ECID COC(=O)[C@@H](O)CNC(=O)COc1ccc(Br)cc1 217676239 YCDLPCBITVDSFR-JTQLQIEISA-N 332.150 0.478 70 20 ECID CCOC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)CC1 217287957 MVBYBCAWNJEDQC-ZDUSSCGKSA-N 325.409 0.980 70 20 ECID CCn1c(S)nnc1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123523874 IGCXUOXEJTXJGO-UHFFFAOYSA-N 333.370 0.503 70 20 ECID C#CCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C(C)(C)C1 975047491 JBUBELAOWBIPRW-GFCCVEGCSA-N 327.381 0.746 70 20 ECID N#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1085335566 CLBCHDSKYCDDSE-GHMZBOCLSA-N 328.369 0.827 70 20 ECID O=C(NCCCNc1ncccn1)c1cc(S(=O)(=O)F)c[nH]1 1094800808 CQGUCTWEARRIDI-UHFFFAOYSA-N 327.341 0.695 70 20 ECID CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1336961913 QAZSKMLPGRMUKZ-KCJUWKMLSA-N 347.368 0.039 70 20 ECID O=C(Cc1ccncc1)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1516701566 MDHDDBLNSZULSU-UHFFFAOYSA-N 326.309 0.072 70 20 ECID C[C@H](NC(=O)c1cccc2c1oc(=O)n2C)C(=O)N1CCOCC1 161510592 BPNOOCCGKKELRV-JTQLQIEISA-N 333.344 0.109 70 20 ECID CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1ccc(Cl)nc1 159585431 QJNOESRQHGVXFL-UHFFFAOYSA-N 338.838 0.933 70 20 ECID NS(=O)(=O)CCCOC(=O)c1ccc(S(=O)(=O)F)cc1 490538267 ZMPFFJMFHORDDL-UHFFFAOYSA-N 325.339 0.180 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](NC[C@@H]2CCOC2)C1 1019397204 OKQWLWLNPYMPLG-QWRGUYRKSA-N 345.396 0.514 70 20 ECID C[C@H](O)CN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1052716266 LBRNMXRENAFVRW-WDEREUQCSA-N 347.412 0.638 70 20 ECID CCOCCN[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209679186 RFURKOZSXZEDDR-NSHDSACASA-N 347.412 0.904 70 20 ECID COC[C@H](C)N[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209678372 LYGRFYMOLDJJKU-WDEREUQCSA-N 347.412 0.902 70 20 ECID COCCN1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 981978208 VJYHPSXHLIEGEQ-UHFFFAOYSA-N 333.385 0.467 70 20 ECID O=C(NCCCOC[C@@H]1CCCO1)c1cc(S(=O)(=O)F)c[nH]1 1351022964 MSPXUOFRBXHUJN-JTQLQIEISA-N 334.369 0.988 70 20 ECID C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F)C(=O)O 1593416945 ITGYAKZRLUTALJ-LLVKDONJSA-N 336.297 0.642 70 20 ECID O=C(NCCN1C(=O)c2ccccc2C1=O)[C@H]1CCn2ccnc2C1 160375171 RJRYUYCREAGSDQ-LBPRGKRZSA-N 338.367 0.858 70 20 ECID Cc1noc(C)c1S(=O)(=O)N1CCC(Cn2ccnn2)CC1 159487036 GARRTVGPJQPZES-UHFFFAOYSA-N 325.394 0.984 70 20 ECID O=C(NC/C=C/CNc1ncccn1)c1cc(S(=O)(=O)F)c[nH]1 1107512658 UNGSHFCLUXAAOU-OWOJBTEDSA-N 339.352 0.861 70 20 ECID CCC(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 946476122 NSXVPTBXBMARFS-HNBZJPLGSA-N 329.353 0.412 70 20 ECID O=C(N[C@@H]1[C@H]2C[C@H]1N(C(=O)C1CC1)C2)c1cc(S(=O)(=O)F)c[nH]1 948096427 IYUDQQQCCXRQRE-XXILOJSOSA-N 341.364 0.412 70 20 ECID C=CCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090576631 NEVNXQDVTHBLAX-PWSUYJOCSA-N 331.369 0.024 70 20 ECID CN(Cc1cccn1C)C(=O)CN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 161007437 SKUFIERYOWTELC-NEBZKDRISA-N 331.372 0.146 70 20 ECID Cc1ccc(F)c(S(=O)(=O)N(CCOCCO)CCN(C)C)c1 161305724 JRAHIHBBIVAJGZ-UHFFFAOYSA-N 348.440 0.695 70 20 ECID CN(C)C[C@](C)(O)CNS(=O)(=O)c1c(F)cc(F)cc1F 161440129 HQXNMHJIKRCLAV-GFCCVEGCSA-N 326.340 0.695 70 20 ECID CCC(CC)[C@@H](CNC(=O)C1(NC(N)=O)CC1)N1CCOCC1 160055418 ZDTNORCYBUEVOU-CYBMUJFWSA-N 326.441 0.441 70 20 ECID COC[C@@H](O)CCNC(=O)c1nc(N2CCCC2)ncc1Cl 160904347 DEPKMRDUHGZDSX-JTQLQIEISA-N 328.800 0.857 70 20 ECID CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CCC[C@@H](N)C3)ccc21 160933662 GBXQBDCBSONGHK-VXGBXAGGSA-N 330.388 0.709 70 20 ECID COCCN(CC(=O)O)C(F)(F)COS(=O)(=O)C(F)(F)F 849343606 OEGPYCFMIULDQX-UHFFFAOYSA-N 345.242 0.478 70 20 ECID O=C(NCC1CN(C[C@@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1031983765 LKBQVDABXIDUGL-JTQLQIEISA-N 345.396 0.371 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(Cc2cnon2)CC1 950561498 FGZRFMLBRHXUJG-UHFFFAOYSA-N 343.340 0.014 70 20 ECID Cn1ncc2c1CCCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1121184789 HZIVSHCJCZQGJW-UHFFFAOYSA-N 326.353 0.995 70 20 ECID CC[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1C(C)=O 985504975 LFTGDJBEVCRTNE-CMPLNLGQSA-N 331.369 0.802 70 20 ECID CC#CCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1080465615 CTSBUHBPQIWGGK-ZWNOBZJWSA-N 327.381 0.746 70 20 ECID O=C(NCC(=O)N1C[C@@H]2CCC[C@H](C1)N2)NCc1ccc(F)cc1 160061033 OFEDGFPYTWEASB-GASCZTMLSA-N 334.395 0.978 70 20 ECID Cc1cc(C)n(CC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)n1 160239930 RGOXYRXHELMUJU-OLZOCXBDSA-N 328.438 0.334 70 20 ECID CC(C)CN(Cc1nncn1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 160742100 GYCNQAFMNFGBGD-UHFFFAOYSA-N 349.439 0.566 70 20 ECID Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCNCC3)c2C)n1 159429856 GDZCIVYWPWSQMJ-UHFFFAOYSA-N 328.420 0.870 70 20 ECID COCCO[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1520007490 SIZQKHZRDQMVBY-JTQLQIEISA-N 334.369 0.941 70 20 ECID CO[C@H]1C[C@H](c2nncn2C)N(c2ccc(S(=O)(=O)F)cn2)C1 1550623475 WXTMBYQZPQWSOD-GXSJLCMTSA-N 341.368 0.835 70 20 ECID CNC[C@@H]1CCCN1C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 161366817 LFRKMLOJUVUBON-XFMPKHEZSA-N 340.493 0.923 70 20 ECID CC1CCN(C(=O)CN2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1 159431800 AYXOFRUQQQYPDT-UHFFFAOYSA-N 346.431 0.391 70 20 ECID CC(C)(CS(C)(=O)=O)NC(=O)c1cccc(S(=O)(=O)F)c1 1338390283 PDRRAKTUIUNFNC-UHFFFAOYSA-N 337.394 0.898 70 20 ECID Cn1cc(S(=O)(=O)NC[C@H](O)COc2ccc(F)c(F)c2)cn1 161271544 PBFFZWTYSALVSB-VIFPVBQESA-N 347.343 0.417 70 20 ECID CC[C@H](NC(=O)CN1CCN(CC)C(=O)C1=O)c1c(C)noc1C 160289636 QCILYOINXMAEBF-LBPRGKRZSA-N 336.392 0.549 70 20 ECID Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@@H]3N)C2=O)cn1 159611571 GETPTKURWFENSJ-ILXRZTDVSA-N 333.436 0.939 70 20 ECID CN(C)S(=O)(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 159954912 HRYFFSZVNWAIFK-SNVBAGLBSA-N 342.339 0.841 70 20 ECID CCN1CCCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)CC1 159977710 REORJCSIZDWGLJ-CYBMUJFWSA-N 336.440 0.477 70 20 ECID C[C@@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004488125 GFKOBVKTWDVSPX-KCJUWKMLSA-N 343.380 0.517 70 20 ECID COCC(=O)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1012172360 NAOJGKRAFHWXFZ-BDAKNGLRSA-N 347.368 0.039 70 20 ECID C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1CCCO 993819173 GBNJUPCLIJEPJZ-PWSUYJOCSA-N 347.412 0.638 70 20 ECID COCCCN(C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1755315938 AGFLMSLAIJPFKG-SNVBAGLBSA-N 335.401 0.760 70 20 ECID Cc1c(/C=C/C(=O)NCCCn2nc3n(c2=O)CCCC3)cnn1C 160037543 ORBJEYHOHYPQMK-BQYQJAHWSA-N 344.419 0.643 70 20 ECID Cc1ccoc1C(=O)NCCCNS(=O)(=O)C[C@H]1CCOC1 160258528 UVDOAIKQVCUMMV-LBPRGKRZSA-N 330.406 0.664 70 20 ECID C[C@H](NC(=O)NC[C@@H](C)N1CCOCC1)c1nnc2n1CCCC2 159893015 BRHGCKBXCXBQCJ-OLZOCXBDSA-N 336.440 0.695 70 20 ECID C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)CC(C)(CO)CO 159571406 KRNZKQSUTONJHU-JTQLQIEISA-N 336.392 0.106 70 20 ECID CSCC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938844499 AYSBZBQIBJVLEM-QMMMGPOBSA-N 349.409 0.367 70 20 ECID CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1 864241380 TYIILWQTCILXRY-NWDGAFQWSA-N 328.365 0.989 70 20 ECID COC[C@H](C)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1038711504 ZHVRUGWUVBNFIQ-UWVGGRQHSA-N 333.385 0.512 70 20 ECID CC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 959303503 ZGRIHADGQFFMSH-PSASIEDQSA-N 331.369 0.517 70 20 ECID COC[C@@H](C)N(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192399051 UXTWGDGJGSIDFD-MNOVXSKESA-N 347.412 0.854 70 20 ECID O=C(O)Cn1cnc(NC(=O)c2ccc(S(=O)(=O)F)cc2)n1 1595160729 VGWDQBHREGZPCB-UHFFFAOYSA-N 328.281 0.273 70 20 ECID CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)Cc1ccccn1 161144333 XVFLDKMKBQAHLT-UHFFFAOYSA-N 342.403 0.351 70 20 ECID Cn1nnnc1SCCC(=O)N[C@H]1CCN(c2ccccn2)C1 161295704 CLWVAWCDLTXUBQ-NSHDSACASA-N 333.421 0.482 70 20 ECID Cc1noc(CCCC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)n1 160370825 KCIZIKSDZVIOBD-NWDGAFQWSA-N 344.437 0.535 70 20 ECID CCNS(=O)(=O)c1ccc(/C=C/C(=O)N(C)[C@@H](C)CO)cc1 160547341 UUMCGSGXBYYBAK-PMDBQALLSA-N 326.418 0.837 70 20 ECID COC[C@@H](O)CCNC(=O)CCn1cnc2sccc2c1=O 160894420 CXEGXONXVVIYIX-JTQLQIEISA-N 325.390 0.362 70 20 ECID CC1CCN(CCCNC(=O)NC[C@@H]2CCCS2(=O)=O)CC1 159869791 PHSXZSDMEJWJMA-AWEZNQCLSA-N 331.482 0.985 70 20 ECID CC(=O)N1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 1015237777 FAJXKROAXYPPFZ-GZMMTYOYSA-N 331.369 0.802 70 20 ECID O=C(CCc1ccc(S(=O)(=O)F)cc1)N[C@H]1CCS(=O)(=O)C1 1120913962 GIWBDYSTWGUCRT-NSHDSACASA-N 349.405 0.581 70 20 ECID Cc1cc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nn1C 1133976759 SQPQONVIGZQCLP-UHFFFAOYSA-N 343.384 0.234 70 20 ECID CC1CC(C(=O)N2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 999952255 KNRAXERORQWHFZ-UHFFFAOYSA-N 343.380 0.660 70 20 ECID C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346795438 DZVKIIPNHZBAOX-QMMMGPOBSA-N 338.382 0.322 70 20 ECID CC(C)OC[C@H](C(=O)O)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1591709878 QBQXXEHSOBGXNF-SNVBAGLBSA-N 336.341 0.623 70 20 ECID CS(=O)(=O)N1CCCN(C(=O)c2ccnc(Cl)c2F)CC1 161331039 XLFYUQMOVANLIX-UHFFFAOYSA-N 335.788 0.982 70 20 ECID CN(C)CCCC1CCN(C(=O)NCCNS(C)(=O)=O)CC1 160157126 DBYRWIPERXOCLB-UHFFFAOYSA-N 334.486 0.299 70 20 ECID C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C[C@@H]3CCCN3)cn2)C[C@@H](C)O1 160712369 PNCAWWBHUTWVGY-MCIONIFRSA-N 349.435 0.600 70 20 ECID CN[C@@H]1CCN(C(=O)CCc2c(C)nc3c(c2C)c(=O)[nH]n3C)C1 160754190 PWXWXECPZHWKTQ-GFCCVEGCSA-N 331.420 0.631 70 20 ECID O=C(N[C@@H]1CCN(C[C@@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1015715803 GKRXODAHPNVYKP-WDEREUQCSA-N 345.396 0.514 70 20 ECID O=C1c2cccc(Cl)c2S(=O)(=O)N1CCS(=O)(=O)F 883953799 LJQGPLAMFYHVDV-UHFFFAOYSA-N 327.742 0.784 70 20 ECID CC[C@@H](CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1)OC 950561408 CBJDEXJPONXCNP-NSHDSACASA-N 347.412 0.856 70 20 ECID CS(=O)(=O)c1ccc2ncn(CCS(=O)(=O)F)c(=O)c2c1 883953888 OSZFOVJCDWWPSF-UHFFFAOYSA-N 334.350 0.099 70 20 ECID CC(=O)NCC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1060414239 KAJJKZRHJDCNPH-JTQLQIEISA-N 331.369 0.661 70 20 ECID C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 973831288 GHHOQEPQKHIJIS-CKEKPRIKSA-N 343.380 0.706 70 20 ECID NC(=O)COc1cccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1 1346209792 UJSZOJWRPUUBHS-UHFFFAOYSA-N 341.320 0.789 70 20 ECID C[C@H](CCNCc1ccon1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1754001823 MGWYJMRQBLDSCR-SECBINFHSA-N 344.368 0.959 70 20 ECID CCS(=O)(=O)c1cccc(CC(=O)NCC(C)(C)C(=O)NC)c1 161304174 GYNCLAQKRHQCSX-UHFFFAOYSA-N 340.445 0.911 70 20 ECID CC(C)N1CC[C@H](NC(=O)NC[C@@H](C)CN2CCOCC2)C1=O 160024820 GUWYQAFAYPISGD-KGLIPLIRSA-N 326.441 0.263 70 20 ECID Cn1cc(S(=O)(=O)N[C@H](CN)C2CCCCC2)cc1C(N)=O 160158070 NPIFIZCLCYRCDA-GFCCVEGCSA-N 328.438 0.310 70 20 ECID C[C@@H](O)[C@@H]1CCCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 160962675 MDKXHZLKUCTIKA-GHMZBOCLSA-N 330.406 0.763 70 20 ECID CC(=O)N[C@]12CCC[C@@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1014120853 LHZVGUWBOOTDLQ-JSGCOSHPSA-N 343.380 0.946 70 20 ECID Cc1ccc(NS(=O)(=O)N2CCOCC2)cc1S(=O)(=O)F 853042520 BQQUMBSOFRVJAK-UHFFFAOYSA-N 338.382 0.642 70 20 ECID O=C(NC[C@H]1CCN1Cc1ccon1)c1cc(S(=O)(=O)F)c[nH]1 1038707347 DQUGRQYSVREJNU-SNVBAGLBSA-N 342.352 0.665 70 20 ECID CCC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 976006529 KPGPVTKLUZVVJH-GDGBQDQQSA-N 329.353 0.270 70 20 ECID CN(C)[C@@]1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCSC1 1263716700 KTANITGUGLTHJG-GFCCVEGCSA-N 335.426 0.840 70 20 ECID COCCCNC(=O)CN(C)[C@@H](C)c1nnnn1-c1ccccc1 159478303 NXYWBJXRTRTQMY-ZDUSSCGKSA-N 332.408 0.808 70 20 ECID CN(C(=O)NCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 217263746 OUMQUPBVMXGUTH-SNVBAGLBSA-N 335.426 0.340 70 20 ECID O=C(NCC1CCN(CCCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1001837170 RMVQNNMNAHLAHW-UHFFFAOYSA-N 347.412 0.497 70 20 ECID CCN1CC2(CC[C@@H](CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)O2)C1 1053659999 CWUGSQBPJBKUQR-JTQLQIEISA-N 345.396 0.656 70 20 ECID CC[C@H](C)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999955856 UBXLRMZESZEBHT-QMMMGPOBSA-N 331.369 0.660 70 20 ECID Cc1cc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n(C)n1 1348404870 HZLSZQKKQPJJOY-UHFFFAOYSA-N 329.357 0.557 70 20 ECID CN(C)[C@@H]1CN(c2ccc(S(=O)(=O)F)cn2)C[C@@H]1n1ccnn1 1550634888 RXWOGZQCWWLVPC-NEPJUHHUSA-N 340.384 0.323 70 20 ECID C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2cnn(C)c2)CC1 161426545 BLZZQTBRZXVISM-LBPRGKRZSA-N 330.454 0.133 70 20 ECID CN(CCCNC(=O)COc1ccc2[nH]ccc2c1)S(C)(=O)=O 160023690 NEUNUTUKNAGZRV-UHFFFAOYSA-N 339.417 0.944 70 20 ECID O=C(Cc1ccc(Br)c(F)c1)NCc1n[nH]c(=O)[nH]1 160118836 KOVSQYJZGNOWNS-UHFFFAOYSA-N 329.129 0.859 70 20 ECID CCC(N)(CC)CNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 160426960 FNEQFTOMJYDVPQ-UHFFFAOYSA-N 347.419 0.188 70 20 ECID Cc1cnn(CCC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1 160438603 PWRDKNZLPVCWOV-QWHCGFSZSA-N 328.438 0.416 70 20 ECID CN1CCC[C@@H]2CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC[C@H]21 159484456 QFFCZSIAEYHTMW-MGPQQGTHSA-N 345.509 0.893 70 20 ECID CCc1noc(C)c1NC(=O)C(=O)NCC(C)(C)N1CCOCC1 159976408 SFNWKZXHWFKTKC-UHFFFAOYSA-N 338.408 0.711 70 20 ECID COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)c1ccccc1 217484990 MPBWOUJIORCGKZ-CYBMUJFWSA-N 330.344 0.040 70 20 ECID C[C@H](O)CN[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1000236111 NYXNMXLRYUUEFS-VHSXEESVSA-N 333.385 0.248 70 20 ECID O=C(NNC(=O)[C@@H]1CCCCO1)c1ccc(S(=O)(=O)F)cc1 865210964 IDZJLVHOGXNRHW-NSHDSACASA-N 330.337 0.675 70 20 ECID C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCCO 1088864512 ORAYRLQPGCGCGN-KOLCDFICSA-N 333.385 0.248 70 20 ECID CC(C)(C)NC(=O)CNC(=O)CNc1ccc(C(C)(C)C(N)=O)cc1 161489340 NTRDLCIDNAPOKM-UHFFFAOYSA-N 348.447 0.892 70 20 ECID CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1scnc1C 160607645 MOUOXPFKHOTXTI-NSHDSACASA-N 331.463 0.577 70 20 ECID CCN1CCCN(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1 159584853 WMFOEVDXYVYSKO-KRWDZBQOSA-N 339.528 0.996 70 20 ECID C[C@@H]1C(=O)N(C)CCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1121102646 MNMNIEQCLHXDEQ-SNVBAGLBSA-N 328.365 0.576 70 20 ECID CC(C)CN1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961789212 MKHGMYDOJGSZBT-PJXYFTJBSA-N 329.397 0.989 70 20 ECID CCOC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1349546257 HSYRVTVNCXKKMW-QMMMGPOBSA-N 333.341 0.634 70 20 ECID COCCN(CCO)S(=O)(=O)c1cnn(-c2ccccc2)c1 161010022 GPOGKNGQFGAWLA-UHFFFAOYSA-N 325.390 0.502 70 20 ECID C[C@@H](CNC(=O)c1csc(S(C)(=O)=O)c1)N1CCN(C)CC1 160157825 RJVFMKHCYDLJAO-NSHDSACASA-N 345.490 0.517 70 20 ECID O=S(=O)(C[C@@H]1CCCCO1)N1CCC(Cn2ccnn2)CC1 159472321 NSNCTLFYACOZJU-AWEZNQCLSA-N 328.438 0.889 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)C1 159691612 FNCYIQYZCGHLBE-QWHCGFSZSA-N 333.363 0.916 70 20 ECID CC(C)[C@@H]1CN(C)CCN1C(=O)NCC(C)(C)NS(C)(=O)=O 159525827 ODIWDOYPOBXSSV-LBPRGKRZSA-N 334.486 0.296 70 20 ECID C[C@@]12CN(CC#N)C[C@@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1092023176 RSPWDECVKGMWQY-YGRLFVJLSA-N 340.380 0.590 70 20 ECID O=C(N=c1cc[nH]cc1-c1nn[nH]n1)c1ccc(S(=O)(=O)F)cc1 1593255920 XGSIOBDDAMQABI-UHFFFAOYSA-N 348.319 0.594 70 20 ECID Cc1c(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)cnn1-c1ccccc1 161078805 XVLVZYYKBNUJNW-LBPRGKRZSA-N 341.371 0.453 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 161472645 JXXWMUCCIWNFHN-HXSCFSKGSA-N 326.437 0.927 70 20 ECID O=C(CN1CCOCC1=O)Nc1ccc(S(=O)(=O)F)c(F)c1 857673196 VMRCNMJLSZAWEK-UHFFFAOYSA-N 334.300 0.281 70 20 ECID CO[C@H](C)CN1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1038703964 BGLMWROYAQRUES-ZJUUUORDSA-N 333.385 0.512 70 20 ECID CCN1CCN([C@@H](C)CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1123617190 TYMHHMVEQLTASY-NSHDSACASA-N 346.428 0.429 70 20 ECID C[C@H](O)CNC1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999420768 JSEHCSAKTQGQOI-IDKOKCKLSA-N 333.385 0.246 70 20 ECID CN(C)C(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1347358130 OKNLMZPWOCHKMO-VIFPVBQESA-N 331.369 0.613 70 20 ECID C[C@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)C1CC1 1756497134 QNQWASLPEUIZIN-MRVPVSSYSA-N 331.369 0.660 70 20 ECID COc1ccc(C(=O)N[C@H](C)C(N)=O)c(I)c1 160179501 GUFAGZLMRFSVDR-ZCFIWIBFSA-N 348.140 0.903 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@@H](C(=O)NC)C2)c1CC 160411329 OUBYQFYZXLBEQS-LLVKDONJSA-N 349.435 0.562 70 20 ECID CCCCN(Cc1nncn1C)c1c(N)n(CCCC)c(=O)[nH]c1=O 160741373 FQCFVRGFVRREKD-UHFFFAOYSA-N 349.439 0.854 70 20 ECID CCCN(C(=O)[C@H](C)N(C)C[C@H](O)C1CC1)[C@@H]1CCS(=O)(=O)C1 160815178 CVWHOGWJMHCITH-CFVMTHIKSA-N 346.493 0.503 70 20 ECID CN(C(=O)N[C@H]1CCN(C2CCCC2)C1)[C@H]1CCS(=O)(=O)C1 160905815 YPSTXBHJJOIQBN-JSGCOSHPSA-N 329.466 0.832 70 20 ECID O=C(NCCNCc1nccs1)c1cc(S(=O)(=O)F)c[nH]1 1133975981 FXBZFLPOGLBNIE-UHFFFAOYSA-N 332.382 0.649 70 20 ECID CC(C)(C)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999955665 PONPZRCAXYVDEW-UHFFFAOYSA-N 331.369 0.660 70 20 ECID O=C(NC[C@H]1CCCS(=O)(=O)C1)c1cccc(S(=O)(=O)F)c1 1517957183 PVPDMMLEIGFYQC-SNVBAGLBSA-N 349.405 0.899 70 20 ECID COCCO[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1520007499 SIZQKHZRDQMVBY-SNVBAGLBSA-N 334.369 0.941 70 20 ECID NC(=O)c1ccc(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)cc1 161065315 FQVUNUDELUTCMQ-AWEZNQCLSA-N 334.397 0.667 70 20 ECID CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 161125837 CPJSKLSPAYFKLA-SMDDNHRTSA-N 342.465 0.970 70 20 ECID N[C@H]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2)C1 161162832 VPDQMPDRZICHFL-QWHCGFSZSA-N 325.434 0.741 70 20 ECID O=C(NCCn1cccc1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 160080558 YAEDGDRFXZPIEF-CQSZACIVSA-N 331.376 0.619 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@H]2C(=O)NC)c1CC 160317853 AIXDWPHNHREXNX-ZDUSSCGKSA-N 335.408 0.315 70 20 ECID C[C@@H](CO)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 160400723 BHMJKRMQDNHDOW-NSHDSACASA-N 346.474 0.914 70 20 ECID CC(=O)N[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)C1CCCC1 160622412 UYLVXYWIYFUXPO-HZPDHXFCSA-N 325.453 0.644 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCCC2 160684334 JTZQSGPWMLOPLQ-JQWIXIFHSA-N 340.449 0.736 70 20 ECID C#CCN[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1034735096 ADDOXKQHMRYTDY-XYPYZODXSA-N 327.381 0.937 70 20 ECID CC1(C(=O)N2CC[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1 938850913 KYTZGKANVAOFRU-VIFPVBQESA-N 343.380 0.804 70 20 ECID O=C(N[C@H]1[C@H]2C[C@H]1N(CCCF)C2)c1cc(S(=O)(=O)F)c[nH]1 1037584698 LKKRUPOWGZUEDW-AXTRIDKLSA-N 333.360 0.835 70 20 ECID CC(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 945530483 OVOYLNFIRVDATA-KWQFWETISA-N 331.369 0.660 70 20 ECID C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263761067 RACSCDUOKDFVDV-SNVBAGLBSA-N 347.412 0.590 70 20 ECID COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H](C)N2CCN(C)CC2)c1C 160509505 IBZZOIQKBONHHX-LLVKDONJSA-N 336.436 0.784 70 20 ECID COC[C@H](O)CNS(=O)(=O)c1ccc(F)c(Br)c1 160923119 SMPNYFXASZECDZ-SSDOTTSWSA-N 342.186 0.874 70 20 ECID O=C(NCCNC(=O)N1CCCN(CC(F)F)CC1)c1ccco1 160140946 GVAKMHNERFHORA-UHFFFAOYSA-N 344.362 0.992 70 20 ECID CCN1CCCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 159852726 NUJIXLBWEKAMOV-NSHDSACASA-N 336.358 0.887 70 20 ECID CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1C[C@]1(C)CC 159483416 RPCNGGODOHDWGK-JMSVASOKSA-N 330.450 0.574 70 20 ECID NC(=O)[C@H]1CCCN1C1CCN(C[C@H](O)COc2ccccc2)CC1 159369140 QNPOABBBHFIPTD-FUHWJXTLSA-N 347.459 0.840 70 20 ECID CN(c1cnn(C)c1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460087267 AEYTWFSDWKXZJW-UHFFFAOYSA-N 333.366 0.903 70 20 ECID O=C(OC[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)F)cc1 490535806 DRTALCQQSZFZDT-VIFPVBQESA-N 336.362 0.936 70 20 ECID CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cnn(CC(C)C)c2)C1 161434619 IAPVPGLNSKSOHL-LBPRGKRZSA-N 335.408 0.605 70 20 ECID Cc1cc(C)n(CC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)n1 160240182 RGOXYRXHELMUJU-CHWSQXEVSA-N 328.438 0.334 70 20 ECID CCN1CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)CC1=O 1337346614 XQQIRUVSUAPOLE-UHFFFAOYSA-N 328.365 0.578 70 20 ECID COC[C@H](C)N1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1003642982 JMDDOCCJYQYJDE-JTQLQIEISA-N 347.412 0.902 70 20 ECID NC(=O)Cn1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)n1 1337726971 VXHXLPQJQFTSDJ-UHFFFAOYSA-N 326.309 0.279 70 20 ECID COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263760582 HEEZJHATVRFWRU-KCJUWKMLSA-N 348.352 0.466 70 20 ECID Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2nnc3ccccn23)c1 161073531 IWCVPKJUTJJFKH-UHFFFAOYSA-N 331.357 0.937 70 20 ECID CNC(=O)COc1cccc(CC(=O)N2CCN(C(C)C)CC2)c1 161181466 GHRKVGZXZNZGTH-UHFFFAOYSA-N 333.432 0.907 70 20 ECID C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)Cn1ccc(=O)[nH]c1=O 161246756 DZXNRBZVKRZMMT-JTQLQIEISA-N 333.319 0.453 70 20 ECID Nc1ccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 160717290 HYZHZMZIZUSVMU-UHFFFAOYSA-N 329.360 0.576 70 20 ECID COC[C@H](O)CNC(=O)c1nnn(-c2ccc3ncccc3c2)c1C 159533210 PWJKJEJRHFSOHH-CQSZACIVSA-N 341.371 0.861 70 20 ECID CC(C)CN(CC(N)=O)C(=O)CCn1cnc2sccc2c1=O 159751933 MXTRIQMUFRBZFK-UHFFFAOYSA-N 336.417 0.818 70 20 ECID O=C(N[C@@H](CC(F)(F)F)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601407548 XRSSGDMOXCRVST-LURJTMIESA-N 332.231 0.808 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)Nc1ccnn1C1CNC1 1580570171 PCWYWKPTMFGUIZ-UHFFFAOYSA-N 338.364 0.867 70 20 ECID COC[C@@H](O)CCNC(=O)CCC(=O)N1CCc2sccc2C1 161285153 BXWFINFAUVBFMH-ZDUSSCGKSA-N 340.445 0.927 70 20 ECID CC(=O)NCCc1ccc(S(=O)(=O)N(C)C[C@@H](O)C2CC2)s1 161449875 FXHLZLYEKLBHNW-CYBMUJFWSA-N 346.474 0.818 70 20 ECID COc1ccc(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)nn1 160680107 PTFUMDLPEIRUTK-GJZGRUSLSA-N 334.420 0.983 70 20 ECID CC(C)[C@H](OC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)NC(N)=O 838087903 KYSINFFWQFVJDO-JTQLQIEISA-N 346.336 0.721 70 20 ECID O=C(NC1CN(Cc2cncs2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030971979 FIFNZNPNRZMBIQ-UHFFFAOYSA-N 344.393 0.744 70 20 ECID CCCN1C[C@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958412414 DAGXXKXPTYOVDL-SKDRFNHKSA-N 333.385 0.105 70 20 ECID C[C@@H]1C[C@H]1CC(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999957308 WKVCIQPCMSJUSP-BDAKNGLRSA-N 343.380 0.660 70 20 ECID C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355377 NAWGQUWSCIXWHB-MRVPVSSYSA-N 342.352 0.115 70 20 ECID O=C(CC1CC1)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 990045953 VFVQTQHQCGEROJ-UHFFFAOYSA-N 329.353 0.414 70 20 ECID COCCN1CCC(NC(=O)c2cccc3c2oc(=O)n3C)CC1 161182811 UWCRKZFSWOZYSG-UHFFFAOYSA-N 333.388 0.972 70 20 ECID CN[C@H]1CCN(C(=O)CCn2cc(Br)ccc2=O)C1 160521821 RGKFXNOITBOLOW-NSHDSACASA-N 328.210 0.821 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCCC2 160683949 JTZQSGPWMLOPLQ-ZYHUDNBSSA-N 340.449 0.736 70 20 ECID COC[C@H](O)CNS(=O)(=O)c1ccc(-c2coc(C)n2)cc1 160900304 YZYXRRDAXLCOQI-GFCCVEGCSA-N 326.374 0.936 70 20 ECID CCS(=O)(=O)N(C)CC(=O)N(C)CCOCc1ccccc1 159443950 KWKFMPNAIWUDNS-UHFFFAOYSA-N 328.434 0.943 70 20 ECID CCN1CCCN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 159842431 KHWJOYNGANUZPQ-UHFFFAOYSA-N 339.484 0.276 70 20 ECID C[C@@H](CNc1ncc(F)cn1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1108702701 XZYIGMWRBNEOCY-ZETCQYMHSA-N 345.331 0.832 70 20 ECID O=C(NC1CN(C(=O)C2(CF)CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 999955655 PJTGDCOCVCCYRA-UHFFFAOYSA-N 347.343 0.363 70 20 ECID Cc1cccc(NC(=O)NCC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1 159657953 OVVMTPACAQRTMB-HUUCEWRRSA-N 332.404 0.658 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1cc2c([nH]c1=O)CCCC2 159959737 MLPQEGIAONUJQK-CQSZACIVSA-N 333.432 0.830 70 20 ECID O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN([C@H]2CCOC2)CC1 864243346 GYFRAXXTUYYTTF-ZDUSSCGKSA-N 342.392 0.892 70 20 ECID N#CCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1201418479 AOTXWQXEAWYNOO-SNVBAGLBSA-N 344.368 0.017 70 20 ECID C#CCN[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C12CCC2 1078729134 UFTHDWMZROPARB-STQMWFEESA-N 339.392 0.937 70 20 ECID CN(C[C@H]1CCN1CCCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085820179 RYCDIUKZDKWBKA-SNVBAGLBSA-N 333.385 0.202 70 20 ECID CCNC(=O)c1ccc(N[C@@H]2CCc3nc(COC)nn3C2)nc1 161341569 HHPNXVPRFPNPSG-GFCCVEGCSA-N 330.392 0.996 70 20 ECID O=C(CNC(=O)CC1CCCCC1)NCC1CCN(CCO)CC1 160727547 MEZHWSFXECNECN-UHFFFAOYSA-N 339.480 0.894 70 20 ECID CNC(=O)c1ccc(S(=O)(=O)N2CCC([C@@H](C)O)CC2)cc1 160859046 FOZYYBLFLLDVRF-LLVKDONJSA-N 326.418 0.828 70 20 ECID CC(=O)NCCNC(=O)C(=O)Nc1cccnc1-c1ccccc1 159974266 HMBOKNSEUDERGW-UHFFFAOYSA-N 326.356 0.939 70 20 ECID CC(C)COC[C@@H](O)CNC(=O)c1sccc1-n1cnnn1 159394652 TUBIJKYSPBIDNU-JTQLQIEISA-N 325.394 0.487 70 20 ECID COC1([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOCC1 1338816518 MFGQMJVRSNLDNJ-SECBINFHSA-N 334.369 0.987 70 20 ECID CNC(=O)C1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1336961945 RFAQSDHGYJYJBU-UHFFFAOYSA-N 331.369 0.708 70 20 ECID CO[C@@H](C)CN(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192399291 XYEUEMJFKJQRDG-QWRGUYRKSA-N 347.412 0.854 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H](N2CCNC2=O)C1 1527341548 QLXWCLIZQBHMSA-SECBINFHSA-N 344.368 0.303 70 20 ECID O=C(N[C@@H]1CNCC2(CCOCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1580622392 JFDREBZBBFGCFP-JTQLQIEISA-N 345.396 0.561 70 20 ECID C[C@H](C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)C1CCOCC1 161225948 VLSPGTZINZUXNB-KBPBESRZSA-N 337.464 0.860 70 20 ECID C[C@H]1CCC[C@H](C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 160490052 HLXFOTIXNVJTDS-RWMBFGLXSA-N 330.450 0.622 70 20 ECID Cc1ccc(O)c(CN2CCN(S(=O)(=O)c3cccnc3)CC2)n1 159864016 MNOCKVQSJRWJHG-UHFFFAOYSA-N 348.428 0.997 70 20 ECID CCCNC(=O)CNC(=O)c1cc(CS(C)(=O)=O)c(C)s1 159482546 KHKLAQRPGRWWOA-UHFFFAOYSA-N 332.447 0.857 70 20 ECID COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)c1ccccc1 217485069 MPBWOUJIORCGKZ-ZDUSSCGKSA-N 330.344 0.040 70 20 ECID COCCN1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1003643843 YXAPURYFVBHTKJ-UHFFFAOYSA-N 333.385 0.514 70 20 ECID CC(=O)NC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 974416338 YFXLGMPYTPVCMR-SNVBAGLBSA-N 331.369 0.661 70 20 ECID C#CCCN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1215571140 AQXOOMLBNLJSRA-ZWNOBZJWSA-N 327.381 0.746 70 20 ECID C[C@@H](O)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1088864622 VTWKFWBRXOVFES-KKZNHRDASA-N 333.385 0.246 70 20 ECID C[C@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)[C@H]1CN(C)CCO1 1338013490 UMOITMQQPKUYKB-SMDDNHRTSA-N 344.408 0.723 70 20 ECID COC[C@H](O)CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 161201640 KICKZXZEMVLYPF-CZUORRHYSA-N 336.436 0.914 70 20 ECID COCCNC(=O)c1ccc(N2CCC(n3ccnn3)CC2)nc1 160215822 VWZYXAGUFREZJU-UHFFFAOYSA-N 330.392 0.891 70 20 ECID CCN1CCN(CCCNC(=O)CS(=O)(=O)C(C)(C)C)CC1 160363756 BFLKHZFZRXVDGB-UHFFFAOYSA-N 333.498 0.344 70 20 ECID CC(=O)NCC(=O)NCC(=O)NCCc1csc(C(C)(C)C)n1 160604140 AEFYOIMKYNWOER-UHFFFAOYSA-N 340.449 0.352 70 20 ECID CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@H](C)C[C@H](C)C1 159679672 BXOMLIGXKUBCEL-RYUDHWBXSA-N 326.484 0.624 70 20 ECID CNC(=O)CN1CCC(NC(=O)N2CCOC3(CCCC3)C2)CC1 159979013 BEFVJTUGNYPSKY-UHFFFAOYSA-N 338.452 0.551 70 20 ECID CC[C@H](CCO)NC(=O)[C@@H](CCSC)NS(=O)(=O)CC 160118033 OLCONFUEOOCAIW-GHMZBOCLSA-N 326.484 0.325 70 20 ECID CC(=O)NC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1020812739 NKUCTERZADPHRZ-GXSJLCMTSA-N 345.396 0.907 70 20 ECID Cc1nc2n(n1)C[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)CC2 864240442 WAYRXTCXTGWZIM-NSHDSACASA-N 338.364 0.990 70 20 ECID C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 942859963 QBWCJCGDGIQBEQ-ONGXEEELSA-N 328.369 0.637 70 20 ECID COCCN1CC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085819818 JMOWDSSELFKRNQ-JTQLQIEISA-N 333.385 0.466 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@]1(C)CNCC#N 1182645701 YSZBMUFIZJNDPM-QMTHXVAHSA-N 342.396 0.884 70 20 ECID CS(=O)(=O)CCCCN1CCCC[C@@H]1CCNS(C)(=O)=O 161502240 HSBGPOBNAZEAIJ-CYBMUJFWSA-N 340.511 0.605 70 20 ECID Cc1cccc2c(=O)n(CC(=O)N(CC(N)=O)CC(C)C)cnc12 159762010 UPYJNJAQEIEZLQ-UHFFFAOYSA-N 330.388 0.675 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C(=O)C2CCC2)C1 955355455 PTEXGIXOLCUOBB-UHFFFAOYSA-N 343.380 0.756 70 20 ECID CS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1 1123569055 XTMUIIUQHLMIOJ-UHFFFAOYSA-N 347.349 0.724 70 20 ECID COC[C@@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085820183 SEMWSXLXTOYTMO-MNOVXSKESA-N 347.412 0.854 70 20 ECID C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)F)c1 1516701914 PEAOMRICAIVTKF-UHFFFAOYSA-N 335.378 0.675 70 20 ECID CN(Cc1cccn1C)C(=O)CN1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 161007166 SKUFIERYOWTELC-JURCDPSOSA-N 331.372 0.146 70 20 ECID Cc1cc(C[C@@H](C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)n[nH]1 159697852 DTBAAMBWANZWME-SKDRFNHKSA-N 330.454 0.729 70 20 ECID CN(c1cnccn1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460089787 DZPVUZSCDXZQJQ-UHFFFAOYSA-N 331.350 0.960 70 20 ECID C[C@@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004488133 GFKOBVKTWDVSPX-LDYMZIIASA-N 343.380 0.517 70 20 ECID O=C(NC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCC1 948640067 KHVSPBIBVHUREM-SNVBAGLBSA-N 343.380 0.804 70 20 ECID Cn1ncc(CCCNC(=O)Cc2ccc(S(=O)(=O)F)cc2)n1 1121126122 ICGIELGHKOCICF-UHFFFAOYSA-N 340.380 0.765 70 20 ECID C=CCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090575677 HABWPOVEYHRHHI-DGCLKSJQSA-N 345.396 0.414 70 20 ECID CCN(C(=O)[C@@H](C)N(C)Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 161062793 RRQOFCKEALFMJA-OCCSQVGLSA-N 342.465 0.276 70 20 ECID CCCN(C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 160208159 MSQSPCSNTNLEHF-KBPBESRZSA-N 331.482 0.937 70 20 ECID C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 968334200 HNFQPGGHPGPNRJ-MFKMUULPSA-N 327.381 0.746 70 20 ECID C[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)[C@H](C)C#N 1078505841 BFYXQXSCJHCGKY-BDAKNGLRSA-N 344.368 0.457 70 20 ECID C[C@@H](CCNC(=O)C(F)F)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1075262347 SCUQEIPOWJQQCX-LURJTMIESA-N 341.311 0.563 70 20 ECID Cn1nnc2c1CC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1338066497 BEECCNHFXJOXSF-ZETCQYMHSA-N 327.341 0.089 70 20 ECID CNC[C@H]1CCCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 161194967 BXIKBDUYNBGMQL-DYVFJYSZSA-N 330.388 0.565 70 20 ECID Cc1nn(C)c(=O)c(C(=O)NCC(=O)OCc2ccccc2)c1C 161210057 WMIZLSHCRFMBPU-UHFFFAOYSA-N 329.356 0.870 70 20 ECID Cc1conc1NC(=O)C(=O)NC[C@@H](CC(C)C)N1CCOCC1 160126733 HISNDYWXDDLSQM-CYBMUJFWSA-N 338.408 0.785 70 20 ECID COc1ccccc1S(=O)(=O)NC[C@@H](C)CN1CCOCC1 160382652 MTBQBZLBPBFVPE-CYBMUJFWSA-N 328.434 0.942 70 20 ECID CC[C@H](CCO)NC(=O)CCNS(=O)(=O)c1ccccc1F 159371488 LTJRERLKCUMCSQ-LLVKDONJSA-N 332.397 0.771 70 20 ECID Cc1nc(CN2CCN(C(=O)CN3CCCCCCC3=O)CC2)n[nH]1 217234852 RNHNKQYFZPYIHD-UHFFFAOYSA-N 348.451 0.550 70 20 ECID COC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc1 1123829421 MWENCSAHLNPSBA-UHFFFAOYSA-N 341.320 0.785 70 20 ECID CC(C)N[C@@H](C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 979385037 FMCNPWOARCPTPH-GXFFZTMASA-N 347.412 0.900 70 20 ECID CC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 983395101 LYBOFFLTKOVOMN-NXEZZACHSA-N 331.369 0.850 70 20 ECID Cc1nonc1CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166871457 FTDFNBFWYRJAAH-UHFFFAOYSA-N 345.356 0.274 70 20 ECID C[C@H](CN1CCOCC1)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1349532249 JJQGQCBXXMZONN-SNVBAGLBSA-N 333.385 0.466 70 20 ECID Cc1nc([C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)n[nH]1 1351947719 ZTOIAHVRMBJKMM-QMMMGPOBSA-N 327.341 0.729 70 20 ECID COCCNC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1752951706 KVLVLSNILOLFBF-SNVBAGLBSA-N 333.385 0.371 70 20 ECID C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1 160430147 VLUYEWAKYBKAPX-GDBMZVCRSA-N 333.432 0.768 70 20 ECID C[C@@H]1CCC[C@H](C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 160492674 UVCPBVQHQQVNEF-FRRDWIJNSA-N 330.450 0.574 70 20 ECID CCCC1(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 160712888 GVBAGNXEHACJGM-CHWSQXEVSA-N 342.461 0.719 70 20 ECID CC(=O)N1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1C 1018431432 YPBBBCODESYSLY-WCBMZHEXSA-N 331.369 0.802 70 20 ECID COc1cc(Br)ccc1C(=O)N[C@@H]1CC(=O)N(C)C1=O 160689335 UJRLHTDKLSQNPI-SECBINFHSA-N 341.161 0.945 70 20 ECID COc1ccc([C@@]2(C)NC(=O)N(CCS(=O)(=O)F)C2=O)cc1 916622921 RMFPMZYGQORNPF-CYBMUJFWSA-N 330.337 0.762 70 20 ECID COC[C@@](C)(CC(=O)OC)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1121032368 OUSLJEFNCISGCF-GFCCVEGCSA-N 336.341 0.371 70 20 ECID O=C(NC1CN(C(=O)c2ccoc2)C1)c1cc(S(=O)(=O)F)c[nH]1 999955717 QSHLUTLKXYIYJS-UHFFFAOYSA-N 341.320 0.520 70 20 ECID N#CCN1CC[C@@]2(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CCC[C@H]12 992188252 KXNAIFJLANMCFY-JSGCOSHPSA-N 340.380 0.923 70 20 ECID N#CCNC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1317192819 QOVADPJNNIFVRH-JTQLQIEISA-N 328.369 0.781 70 20 ECID CC[C@@H](COC)NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 160311912 JIYQZIBACRULKE-NSHDSACASA-N 329.422 0.954 70 20 ECID CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 159854240 URWUAKXKKHRWSP-NWDGAFQWSA-N 345.403 0.969 70 20 ECID CC(=O)N[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C 1004290303 KUQZJVJFIANVCS-PELKAZGASA-N 331.369 0.660 70 20 ECID Cc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1S(=O)(=O)F 857675745 ZMEHALOLWQCXQM-UHFFFAOYSA-N 338.382 0.483 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CN(C)CCN1C 1123690054 RZEXZPWKMUPISX-CABZTGNLSA-N 332.401 0.037 70 20 ECID COC[C@](C)(NC(=O)c1ccc(S(=O)(=O)F)cc1C)C(=O)OC 1338751662 HOCHDTXFCGKHMY-AWEZNQCLSA-N 347.364 0.961 70 20 ECID CCN(C(=O)c1cccc(S(=O)(=O)F)c1)[C@@H]1CCS(=O)(=O)C1 1354032030 OUVDOSWMLDPRDE-LLVKDONJSA-N 349.405 0.994 70 20 ECID O=C(O)C[C@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCOC1 1601931417 AZOXVSVVVKMKSO-CYBMUJFWSA-N 331.321 0.708 70 20 ECID CC(C)C[C@H]1CCCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)C1 161030965 CVVZYGQTDHYPTF-GFCCVEGCSA-N 328.438 0.815 70 20 ECID NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cccnc2N2CCCCC2)O1 161214155 BHUSUNQRSUQYPH-OCCSQVGLSA-N 332.404 0.835 70 20 ECID O=C(CN1CCN(c2ccncc2)CC1)NC(=O)NCC(F)(F)F 161373652 BFALLCMKEXNMQI-UHFFFAOYSA-N 345.325 0.592 70 20 ECID CCN1CCCN(C(=O)NCC(=O)N(C)CCc2ccccn2)CC1 159808334 GKXYCBCHAKHQRM-UHFFFAOYSA-N 347.463 0.820 70 20 ECID COC[C@H](O)CNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 159493160 VKCGJEOOUAYCFI-KGLIPLIRSA-N 326.368 0.704 70 20 ECID CO[C@@H](C)CN1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1038703961 BGLMWROYAQRUES-UWVGGRQHSA-N 333.385 0.512 70 20 ECID CN(C(=O)C1CC1)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 953478994 RTMYJACNORPDTE-UHFFFAOYSA-N 329.353 0.366 70 20 ECID CO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C(=O)O)C1 1599122104 ZIJZJLIAEIOTNK-OIBJUYFYSA-N 334.325 0.377 70 20 ECID COC(=O)c1ccc2[nH]cc(C(=O)CN3CCN(C)C(=O)C3)c2c1 161215715 FXTXFVSHKHWTRT-UHFFFAOYSA-N 329.356 0.911 70 20 ECID CN(C)S(=O)(=O)c1cc(C(=O)NCC2(CCO)CCC2)co1 160479773 KZSKNGWHGMQYNJ-UHFFFAOYSA-N 330.406 0.812 70 20 ECID CCOC(=O)C[C@@H](C)NC(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C 160523789 NOXBCQOTXFDDJX-SECBINFHSA-N 348.403 0.879 70 20 ECID CNS(=O)(=O)c1csc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)c1 160626422 WPYRGPVJECWZHD-AOOOYVTPSA-N 329.447 0.623 70 20 ECID O=C(CCNC(=O)Cc1ccccc1)NC[C@@H](O)CN1CCCCC1 159971403 ABACYQWILRBBDE-QGZVFWFLSA-N 347.459 0.698 70 20 ECID O=C(N[C@@H]1[C@H]2C[C@H]1N(CC1CC1)C2)c1cc(S(=O)(=O)F)c[nH]1 1037584395 HZLDSIGHJOFAAR-ZWKOPEQDSA-N 327.381 0.885 70 20 ECID C[C@H]1CN(CCO)CC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 942859663 ONNWGYVZZGHKFT-GXSJLCMTSA-N 333.385 0.105 70 20 ECID Cc1csc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1133976337 MDVWAULHPJZLTP-UHFFFAOYSA-N 346.409 0.957 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCN(C)C(=O)[C@H]1C 1262790948 FZLZRRJPDXWDPY-SNVBAGLBSA-N 328.365 0.956 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1cc(S(=O)(=O)F)c[nH]1 1346850796 ZKOBGJOJNFNRBM-SNVBAGLBSA-N 333.385 0.250 70 20 ECID CN[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cc(C)ccc2C)C1 160508378 OLOMCMDPHQMVRV-AWEZNQCLSA-N 339.461 0.792 70 20 ECID CCc1cc(O)nc(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 160621203 JOXNHFVMLKLHLJ-LBPRGKRZSA-N 333.436 0.529 70 20 ECID C#CCN1CC[C@H](N(CC)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033954319 STRWRHQWEFDQOS-NSHDSACASA-N 327.381 0.843 70 20 ECID CC(C)N1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035511591 QGDGNQPOZGFWCV-SNVBAGLBSA-N 333.385 0.512 70 20 ECID CCn1cccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1=O 1337361535 UIUQDCDZJWNSDI-UHFFFAOYSA-N 327.337 0.785 70 20 ECID C#CCN(CC(=O)O)C(=O)CCc1ccc(S(=O)(=O)F)cc1 1588402043 JYBHLXMIKPEISP-UHFFFAOYSA-N 327.333 0.824 70 20 ECID C[C@@H]1C[C@@H](NCCCO)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1755687531 YSKKAFRRRBTCJP-NXEZZACHSA-N 333.385 0.248 70 20 ECID CO[C@H](C)CNC/C=C\CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1754183826 QLQSHZHGOGUEDW-UMBAGQNISA-N 333.385 0.583 70 20 ECID Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CC(O)C1 161477656 MEJFSVQHYINAAH-UHFFFAOYSA-N 334.401 0.646 70 20 ECID CC(=O)N1CC[C@H](NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 159673185 VUKLWMTYZHXXEE-HOTGVXAUSA-N 329.400 0.772 70 20 ECID CN(Cc1ccccc1Br)C(=O)CCNC(=O)CN 159525407 IFQRPKRUHQTNPQ-UHFFFAOYSA-N 328.210 0.873 70 20 ECID O=S(=O)(Cc1cccc(F)c1)NCC1CCN(CCO)CC1 161421256 BKKOSKZLDWYLIB-UHFFFAOYSA-N 330.425 0.949 70 20 ECID CCOCCC1(C(=O)NC2CCN(CC(=O)NC)CC2)CCC1 161429056 SEJUOAOTBDEZNQ-UHFFFAOYSA-N 325.453 0.910 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 161478419 FHGDJMHDWXMEEU-HOTGVXAUSA-N 340.395 0.713 70 20 ECID COc1ccc(C(=O)N2CCN(Cc3nncn3C)CC2)cc1OC 160748271 LHSIUAZXSDXBNX-UHFFFAOYSA-N 345.403 0.790 70 20 ECID CN[C@H]1CCN(C(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)C1 160809911 LQUZJHXDKIRKCF-QWRGUYRKSA-N 349.460 0.882 70 20 ECID COc1ccsc1S(=O)(=O)N1CCN(CC(C)(C)O)CC1 160823691 XZLJALYSNPIXDE-UHFFFAOYSA-N 334.463 0.834 70 20 ECID CCOC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 490535730 AOGDWOOLOMPTDE-UHFFFAOYSA-N 326.327 0.284 70 20 ECID O=C(NC[C@@H]1CCCN(CCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1023591378 YHYCZCQALYOQIU-NSHDSACASA-N 347.412 0.497 70 20 ECID CN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nccnc1F 1100330247 JQHZRRUJSUPNPY-UHFFFAOYSA-N 345.331 0.468 70 20 ECID COC[C@@](C)(NC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)OC 864242998 WIJAHPBGGDMJBE-CYBMUJFWSA-N 333.337 0.653 70 20 ECID O=C(N[C@@H]1CCN(C(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 942442510 QJEMDBJPVCQXEI-SECBINFHSA-N 329.353 0.414 70 20 ECID C[C@@H]1CC[C@H](CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1166871676 NOXOCXNDRCIBPA-GHMZBOCLSA-N 347.412 0.950 70 20 ECID CC(C)(C)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1=O 1337475909 XICZVBKNQORMOQ-SECBINFHSA-N 331.369 0.802 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H](C)CS(C)(=O)=O 1340344258 BLGMPNDCAIPYFN-SECBINFHSA-N 337.394 0.816 70 20 ECID C[C@@H](O)CCCN1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1754581249 DNBPFPBSEUKBRV-SNVBAGLBSA-N 347.412 0.590 70 20 ECID Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CC[C@@H](N)C3)cc12 160323537 MKAQADZIXWSWRV-VHSXEESVSA-N 335.433 0.621 70 20 ECID O=C(N[C@H]1C[C@H](NC[C@@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1020599321 VJBZNYXPIMHVRF-DCAQKATOSA-N 345.396 0.560 70 20 ECID CC1(C)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1NCCO 996306838 BBAYUFHOIQMFTM-LLVKDONJSA-N 333.385 0.105 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)NCCN1CCNC1=O 1337510163 PPLKDJNWGZORHH-UHFFFAOYSA-N 329.353 0.029 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1C(=O)NCC[C@H]1C 1337437854 PAOAQBVVPQWLIK-PELKAZGASA-N 328.365 0.908 70 20 ECID Cc1nc(C)n(C2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)n1 1349611832 QRCKYSKOVDDKHI-UHFFFAOYSA-N 327.341 0.578 70 20 ECID CCCN1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O 1347349712 JAHAWXPAOOTSOA-VIFPVBQESA-N 331.369 0.661 70 20 ECID N#Cc1nccnc1NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1094126541 NIGKYBAVUSAZJG-UHFFFAOYSA-N 338.324 0.176 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CC[C@](C)(C(N)=O)C1 1338914045 VSPHXRMAKNEDIC-AWEZNQCLSA-N 328.365 0.991 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 161179510 JFEVZNZXVQZGOI-SJORKVTESA-N 348.443 0.981 70 20 ECID CC(C)c1cc(=O)n(CC(=O)N[C@H](C)C(=O)N2CCCCC2)cn1 160704946 RMAFIODAOBCYGG-CYBMUJFWSA-N 334.420 0.884 70 20 ECID CC(C)(N)CNC(=O)c1sccc1S(=O)(=O)N1CCCC1 159954922 SCYQGRGFBQBGLE-UHFFFAOYSA-N 331.463 1.000 70 20 ECID CC(=O)N1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1015237785 FAJXKROAXYPPFZ-KCJUWKMLSA-N 331.369 0.802 70 20 ECID CN(C[C@@H](O)COCc1ccccc1)S(=O)(=O)c1c[nH]cn1 159909552 VTVRFXYGPCMOMG-CYBMUJFWSA-N 325.390 0.608 70 20 ECID CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)F)cc1 838087740 HWEXCXYSJJOCMQ-ZETCQYMHSA-N 332.309 0.346 70 20 ECID CCCCN1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035510939 OKIKUGADTFXICJ-LLVKDONJSA-N 347.412 0.904 70 20 ECID CO[C@@H](C)CN1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1043896421 OXEZOLWGKIYRSE-VIFPVBQESA-N 333.385 0.464 70 20 ECID O=C(NCCNCCC[C@@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1133981718 ZMZZHRJTTZIPLU-LLVKDONJSA-N 347.412 0.809 70 20 ECID C[C@@H](O)CN1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 981977329 BUHYRINAMCHCPQ-SNVBAGLBSA-N 333.385 0.202 70 20 ECID CN(C)C[C@@](C)(C#N)NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337447196 DJZZVBIXTZQBLE-CQSZACIVSA-N 327.381 0.847 70 20 ECID COC(=O)C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)F)c1 1338943922 POJKPNKUXOGXNF-LLVKDONJSA-N 345.348 0.749 70 20 ECID O=C(CCc1ccc(S(=O)(=O)F)cc1)NCC(=O)NC1CC1 1337808895 HGGIOMVSALJMOT-UHFFFAOYSA-N 328.365 0.672 70 20 ECID C[C@H]1C[C@@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1756482870 CTUUWFQLICAFSC-NGZCFLSTSA-N 345.396 0.906 70 20 ECID Cc1cnn(Cc2cc(C(=O)N3CCC[C@@H]3C(=O)N(C)C)no2)c1 161054817 FAWQBJNDIYDXHT-CQSZACIVSA-N 331.376 0.921 70 20 ECID Cn1ccc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 160410941 AXIQEHYOCOUOTI-NSHDSACASA-N 343.391 0.760 70 20 ECID CN(C)C(=O)CCCC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 160506388 RLNGZZIMQBDDLW-IAGOWNOFSA-N 347.459 0.997 70 20 ECID CN(CC(=O)N1CCOCC1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 160811568 KKQPXJFKLRFMNY-CQSZACIVSA-N 338.452 0.504 70 20 ECID C[C@H]1C[C@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@H](C)CN1C 160986230 WKZBOYQIEDBHAB-WWGRRREGSA-N 332.448 0.720 70 20 ECID Cn1cc(N2CCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)CC2)cn1 159700370 SECOALGUONMQBC-UHFFFAOYSA-N 340.387 0.563 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1cn(Cc2ccccc2)nn1 159950369 FBFZJQYUDDBKNY-MRXNPFEDSA-N 343.431 0.903 70 20 ECID C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1049726963 HOVHQAPHKREBQZ-ZIAGYGMSSA-N 339.392 0.985 70 20 ECID C[C@H](CNc1cnc(F)cn1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1108115259 XPXYNYXZOSYDPP-SSDOTTSWSA-N 345.331 0.832 70 20 ECID CO[C@@H](C)CN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141902 UJFGIRXOLPJNKO-WDEREUQCSA-N 347.412 0.902 70 20 ECID CO[C@@H](C)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 950558801 IYYQGIGKLIQOEG-JTQLQIEISA-N 333.385 0.466 70 20 ECID CCCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](OC)C1 1082143845 HXKJLGXGTUKFDL-VXGBXAGGSA-N 333.385 0.512 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)NCCO[C@@H]1CCOC1 1339050377 YMZZIIIAUYIROR-GFCCVEGCSA-N 331.365 0.809 70 20 ECID O=C1C[C@@H](C(=O)N2CCN(Cc3cccc(F)c3)CC2)NC(=O)N1 216845177 DWWUAOYBRNSWNX-ZDUSSCGKSA-N 334.351 0.068 70 20 ECID C#CCN1CC[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 1042238429 TYZJCZSHBWJMMQ-FZMZJTMJSA-N 339.392 0.843 70 20 ECID C[C@@H](O)CN[C@H]1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1086478930 GUPUMCTUYPBWHU-OPRDCNLKSA-N 333.385 0.152 70 20 ECID CC(C)(C)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1=O 1337475910 XICZVBKNQORMOQ-VIFPVBQESA-N 331.369 0.802 70 20 ECID NC(=O)c1cccc(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1 1338389602 KTIFLWWZQRJMPS-UHFFFAOYSA-N 339.348 0.744 70 20 ECID COC(=O)c1ncsc1S(=O)(=O)NC[C@@]1(OC)CCOC1 160014735 YLAJBWDKZUPIGD-NSHDSACASA-N 336.391 0.014 70 20 ECID CN(C)Cc1ccc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)cc1 160030262 QDDQRBVTTLHBBC-UHFFFAOYSA-N 346.475 0.984 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)co1 160422606 NGGMUSVXEODKFN-TZMCWYRMSA-N 336.369 0.576 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cn[nH]c2C1 160475266 POBJNIATUAEGOG-NTZNESFSSA-N 340.449 0.349 70 20 ECID O=C1O[C@H]2C[C@H]1N(C(=O)CCc1ccc(S(=O)(=O)F)cc1)C2 1121125789 CTGLRTYABUUUHN-CMPLNLGQSA-N 327.333 0.804 70 20 ECID O=C(NCCNCCc1ccns1)c1cc(S(=O)(=O)F)c[nH]1 1133981541 RSRDVIUSPJHHEU-UHFFFAOYSA-N 346.409 0.692 70 20 ECID C#CCN[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C12CCC2 1078729131 UFTHDWMZROPARB-CHWSQXEVSA-N 339.392 0.937 70 20 ECID O=C(NCCCNCc1ccccn1)c1cc(S(=O)(=O)F)c[nH]1 1166871469 GDBFRHJHWPHFHU-UHFFFAOYSA-N 340.380 0.978 70 20 ECID O=C(NCCN1C(=O)CSC1=O)c1cc(S(=O)(=O)F)c[nH]1 1346040896 RJRWCWKZKSMTNL-UHFFFAOYSA-N 335.338 0.098 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)COc1ccccc1 160537911 LBGHFFXWUVMWJG-GXTWGEPZSA-N 326.418 0.900 70 20 ECID CCN1CCCN(C(=O)NCCCCN2CCN(C)CC2)CC1 159884397 HNXRUWDLWBFGQY-UHFFFAOYSA-N 325.501 0.751 70 20 ECID CCNC(=O)CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 159997196 GVERDQUJXHRHLF-UHFFFAOYSA-N 326.356 0.939 70 20 ECID CC[C@H](F)C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004490241 STFDNZNWTTXMQW-JTQLQIEISA-N 349.359 0.609 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCN(C(=O)C2CC2)CC1 939958061 YSHMLZFEJYOOCP-UHFFFAOYSA-N 343.380 0.757 70 20 ECID C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CC[C@@H](N)C1)C2=O 160286035 SGRQMGFAJIWSLU-JKDFXYPNSA-N 336.436 0.683 70 20 ECID COC[C@H](O)CNS(=O)(=O)c1cc(F)ccc1Br 160897317 OJHJLHGNWWGTKS-MRVPVSSYSA-N 342.186 0.874 70 20 ECID CC#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1037585290 TXMVXDBAOAOZDH-ICCXJUOJSA-N 325.365 0.499 70 20 ECID CN(C)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1346796994 TYPNJFYYQYGQHQ-UHFFFAOYSA-N 332.357 0.112 70 20 ECID N[C@@H]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2F)C1 161173225 GUZOVGZCCCLUEW-VXGBXAGGSA-N 343.424 0.880 70 20 ECID CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CC(O)C2)cc1 161438553 VNNCKJKBYKYYGU-JXMROGBWSA-N 338.429 0.933 70 20 ECID C[C@H]1C[C@@H](NC(=O)N2CCO[C@H](C(N)=O)C2)CN1Cc1ccccc1 160092185 DXSQGOUVWSPJRD-IMJJTQAJSA-N 346.431 0.545 70 20 ECID CNC(=O)[C@@H](NC(=O)Cn1cnc(C(C)C)cc1=O)c1ccccc1 160917805 MSKAVVQJLOZOPD-KRWDZBQOSA-N 342.399 0.970 70 20 ECID N#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1039438432 WPHFQLYMLOYXGI-MNOVXSKESA-N 340.380 0.875 70 20 ECID C[C@H]1C[C@@H](NCCO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1044745845 DYMGNVYVLOQTRA-UWVGGRQHSA-N 333.385 0.248 70 20 ECID O=C(N[C@H]1COC2(C1)CN(CCF)C2)c1cc(S(=O)(=O)F)c[nH]1 1053926843 MROHLZBXUVUYNN-SECBINFHSA-N 349.359 0.216 70 20 ECID C[C@H]1CCN(CCCO)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 968333934 CANGDDMPRDTZNM-GWCFXTLKSA-N 347.412 0.496 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN([C@@H]2CCOC2)CC1 1354885252 LBADKIXXKWIJJJ-SNVBAGLBSA-N 331.369 0.220 70 20 ECID C[C@]1(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CCNC1 160977509 GLVBBOHDKSPQSB-KSSFIOAISA-N 331.416 0.782 70 20 ECID CC(=O)N1CC2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 1018651862 IMVQHQDXYBDFNM-UHFFFAOYSA-N 329.353 0.367 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1CCNCCO 1104692992 ZHPBWBMBPOEQDB-GHMZBOCLSA-N 347.412 0.353 70 20 ECID CC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 952467737 RJMWUMIMGCNUSV-QWRGUYRKSA-N 343.380 0.898 70 20 ECID CC(=O)N=c1cc[nH]cc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1262732365 FGOOIXXERAAOSC-UHFFFAOYSA-N 326.309 0.701 70 20 ECID CN(Cc1nnc2n1CCC2)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346040923 SPOMOFLTMDHTAL-UHFFFAOYSA-N 327.341 0.483 70 20 ECID O=C(N[C@H]1CCN(CC(F)F)C1)c1cc(S(=O)(=O)F)c[nH]1 1346848103 GRWQLPLIBBLEQW-ZETCQYMHSA-N 325.312 0.742 70 20 ECID COC[C@H](O)CCNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 161041792 BAKZRQFWPGLZED-GFCCVEGCSA-N 339.783 0.507 70 20 ECID CCN1CCC[C@@H]1CNC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 161091219 DTHUMJYMSWFSOD-RDTXWAMCSA-N 344.415 0.955 70 20 ECID Cc1c(CNC(=O)NCc2cccnc2N2CCOCC2)cnn1C 159549500 PZAUVTDPJGMGJH-UHFFFAOYSA-N 344.419 0.960 70 20 ECID CS(=O)(=O)Nc1ccc(NC(=O)NCCN2CCOCC2)cc1 217282645 OXHRGKIJWROHPB-UHFFFAOYSA-N 342.421 0.512 70 20 ECID Cc1cc(CN2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)no1 1030966714 YALDCLXNAKQZJF-UHFFFAOYSA-N 342.352 0.584 70 20 ECID CCN(CCNCC#CCOC)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1754067987 RCOXPJAJPCXQNG-UHFFFAOYSA-N 345.396 0.374 70 20 ECID CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H](C(=O)OC)C1)CC2 160056791 CTLGQSIQSUGMIC-NEPJUHHUSA-N 335.408 0.750 70 20 ECID CCC[C@@H](NC(N)=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 160313645 NAHVTNJSKPOUJK-CYBMUJFWSA-N 328.457 0.640 70 20 ECID CC[C@](C)(O)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 160326721 LKGIPBKIDWWNBQ-AWEZNQCLSA-N 329.422 0.690 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CCCC2 160684071 JTZQSGPWMLOPLQ-PWSUYJOCSA-N 340.449 0.736 70 20 ECID CCN(C(=O)[C@H](C)Nc1cc(C)n(C)n1)[C@H]1CCS(=O)(=O)C1 159629541 CHLVIPQIBRPSQW-RYUDHWBXSA-N 328.438 0.565 70 20 ECID COCC(=O)NC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC1 1064571678 SEIULDSNOHBTCV-UHFFFAOYSA-N 347.368 0.088 70 20 ECID CC(=O)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1C 1018642363 YWJRENUHVRLXFK-GXSJLCMTSA-N 345.396 0.907 70 20 ECID CC(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 955825623 SGTOIVKRRCPYIO-WPRPVWTQSA-N 331.369 0.802 70 20 ECID Cc1cc(C(=O)N[C@@H](CO)CC(C)C)nc2c1c(=O)n(C)c(=O)n2C 160683807 OMJGEJQMECLYIW-LLVKDONJSA-N 348.403 0.077 70 20 ECID O=C(NCc1nnnn1C1CC1)c1ccc(S(=O)(=O)F)cc1 864239759 OECFONOJGQNTJB-UHFFFAOYSA-N 325.325 0.596 70 20 ECID CO[C@H](C)CNC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1202531750 NOPOXKVXNCRWAG-SNVBAGLBSA-N 347.412 0.902 70 20 ECID CN1CCN(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C 1347340081 LTJVLTVXNAFZJM-UHFFFAOYSA-N 346.428 0.429 70 20 ECID CCOCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1713957423 VOYADKVJPVUVJQ-JTQLQIEISA-N 333.385 0.514 70 20 ECID O=S(=O)(NCCNc1ccc2nccnc2n1)c1cccnc1 161213192 QGRRPGWEVIBBJL-UHFFFAOYSA-N 330.373 0.810 70 20 ECID CC[C@@H](O)CCNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 161281656 NASRXLKBSGOOKI-OAHLLOKOSA-N 348.447 0.788 70 20 ECID COC[C@H](O)CCNC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 161472790 JXXWMUCCIWNFHN-OOJKYFRXSA-N 326.437 0.927 70 20 ECID Cn1c(C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cccc1=O 160385614 CTBFDXZJEGITRV-GFCCVEGCSA-N 341.433 0.319 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)NCC[C@@H](O)C(C)C)CC2 160732514 JWEDUHUIRUWOGO-VXGBXAGGSA-N 325.413 0.446 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N(C)CCN1CCCC1)CC2 160966399 NRDBEYUYRFGVJT-CYBMUJFWSA-N 336.440 0.477 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 160978782 JXFGUSUUJVUYJE-OFQRWUPVSA-N 338.379 0.859 70 20 ECID CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCNCC2)cc1 159399104 YFDQFEDVGUKXPY-UHFFFAOYSA-N 325.434 0.666 70 20 ECID COC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(-n2cccn2)c1 159789997 NULVHBUBTTYRAX-HNNXBMFYSA-N 328.372 0.736 70 20 ECID Cc1oc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)cc1S(N)(=O)=O 159799094 ZRLPCHKOZJQLRS-GMTAPVOTSA-N 328.390 0.923 70 20 ECID COCC(=O)N(C)CC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1 857674803 QOMZMMQZSDLZRN-UHFFFAOYSA-N 336.316 0.527 70 20 ECID CO[C@H](C)CN1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808165 CSGJLBNWKMABDA-GHMZBOCLSA-N 347.412 0.760 70 20 ECID CC(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 973665684 HOWRIXVPUVJSIF-QWRGUYRKSA-N 343.380 0.945 70 20 ECID N#CCN[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 981340580 OGPVHTLNVRQLNU-VHSXEESVSA-N 328.369 0.827 70 20 ECID C[C@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)[C@@H]1CN(C)CCO1 160049221 DVDRGOAMSTUGOU-QEJZJMRPSA-N 337.424 0.903 70 20 ECID CCNC(=O)CN1CCCN(C(=O)CCNC(=O)CC(C)C)CC1 160275039 PZKFCSMWGJWPSW-UHFFFAOYSA-N 340.468 0.209 70 20 ECID CC[C@H](CN1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)OC 1031983559 DCYWIZUJKTYXFO-LLVKDONJSA-N 347.412 0.760 70 20 ECID C#CCN1CCC2(CC1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1050670682 PLSYNZYBOZIDCE-UHFFFAOYSA-N 339.392 0.844 70 20 ECID CN(C)c1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)c(F)c1 161120290 HYHKOKXNVMOLSL-UHFFFAOYSA-N 343.424 0.352 70 20 ECID C[C@H](CN1CCOCC1)NC(=O)N[C@H](C)c1nnc2n1CCCC2 160595945 ORYHZGOBIUOJHV-CHWSQXEVSA-N 336.440 0.695 70 20 ECID CCN1CC[C@@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@H](C)C1 160975077 NJAXCSVTOCWUOY-CZUORRHYSA-N 332.448 0.722 70 20 ECID CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@H]1CCN(C(C)=O)C1 159551297 NKIHMLVYCPWHGS-QEJZJMRPSA-N 338.452 0.944 70 20 ECID CN(CCO)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 985653906 XMUJCSLERKDTAS-UHFFFAOYSA-N 333.385 0.202 70 20 ECID C[C@H](O)CNCCCCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1179617368 QCQAWZVJDIFULY-NSHDSACASA-N 349.428 0.934 70 20 ECID C#CCCN(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192397698 LXIOXFOGBJKAON-LLVKDONJSA-N 327.381 0.843 70 20 ECID CN(C)CCCN(CCC#N)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1527342080 WWNDCVQUQMGRPV-UHFFFAOYSA-N 330.385 0.980 70 20 ECID C[C@H](CNC(=O)CN1CCNCC1=O)Oc1cccc(Cl)c1 161403281 FCTQJAMFTYYDHE-LLVKDONJSA-N 325.796 0.655 70 20 ECID CN[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 160554364 ZODCVDYZYLMGOZ-JTQLQIEISA-N 347.387 0.454 70 20 ECID Cc1ccc(-c2nnn(CC(=O)N3C[C@H](CO)OC[C@@H]3C)n2)cc1 159891446 DUWNSBPRYKUJGD-GXTWGEPZSA-N 331.376 0.257 70 20 ECID NC(=O)[C@H]1CCCN1C1CCN(CC(=O)N2CCCCCC2)CC1 159375229 UWTXYJDRVODUPL-MRXNPFEDSA-N 336.480 0.803 70 20 ECID C[C@H]1C[C@@H]1C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004488130 GFKOBVKTWDVSPX-KWQFWETISA-N 343.380 0.517 70 20 ECID CC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1009761400 VMKJAQFQDWPZLK-PELKAZGASA-N 347.368 0.039 70 20 ECID C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 942859961 QBWCJCGDGIQBEQ-KOLCDFICSA-N 328.369 0.637 70 20 ECID CC1(C)C[C@@H]1C(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 990887297 WDHYAAHCKXEBKL-SNVBAGLBSA-N 343.380 0.660 70 20 ECID O=C(NC1CN(C(=O)c2ccc[nH]2)C1)c1cc(S(=O)(=O)F)c[nH]1 999955205 NJDDZNDVCBFJRH-UHFFFAOYSA-N 340.336 0.255 70 20 ECID Cc1c(-c2nc([C@@H]3CCOC3)no2)cnc2c1c(=O)n(C)c(=O)n2C 161027305 UNSPYSKIFLSYSW-SECBINFHSA-N 343.343 0.495 70 20 ECID CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C 161391993 ZBWBESMRYKYSLR-FQUUOJAGSA-N 333.498 0.795 70 20 ECID COC(=O)Cn1cc(CCN2CCC[C@H]2[C@H](O)C(F)(F)F)nn1 160100797 LNLWXOLWZMWGQS-JQWIXIFHSA-N 336.314 0.381 70 20 ECID CC[C@@H](NC(=O)CN1CCN(CC)C(=O)C1=O)c1c(C)noc1C 160289752 QCILYOINXMAEBF-GFCCVEGCSA-N 336.392 0.549 70 20 ECID CCC[C@@](C)(CO)NC(=O)N[C@@H]1CCc2nc(COC)nn2C1 160688720 SPLQDLIXKJMJHU-ABAIWWIYSA-N 325.413 0.590 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1CCS[C@H](C)C1)CC2 160777874 HBIYBLXMOYEZGM-GHMZBOCLSA-N 325.438 0.886 70 20 ECID CN(CCOCc1ccccc1)C(=O)Cn1ccc(=O)n(C)c1=O 159368015 FPAWQMGCFMIMGU-UHFFFAOYSA-N 331.372 0.222 70 20 ECID O=C(N[C@H]1[C@H]2C[C@H]1N(C(=O)C1CC1)C2)c1cc(S(=O)(=O)F)c[nH]1 948096425 IYUDQQQCCXRQRE-AXTRIDKLSA-N 341.364 0.412 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C[C@H]2CCOC2)C1 1043895020 BWDLUBWWOOLCGX-SNVBAGLBSA-N 345.396 0.466 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCS(=O)(=O)C1 1123829314 LWDQBDZWVQLMHG-QMMMGPOBSA-N 338.382 0.180 70 20 ECID COCCN1CC([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970423077 GZIMUQGPQYNLAA-VIFPVBQESA-N 333.385 0.369 70 20 ECID CCC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1011338110 FYKIJVPWJQAXSU-PSASIEDQSA-N 331.369 0.802 70 20 ECID C[C@@H](O)CNC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1091235952 GUPUMCTUYPBWHU-XNWIYYODSA-N 333.385 0.152 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1cnc2ccccn2c1=O 160690302 BXDRRONLLPQXRE-CYBMUJFWSA-N 330.388 0.271 70 20 ECID O=S1(=O)CC[C@@H](NS(=O)(=O)Cc2c(F)cccc2F)C1 159951564 VTAMDLCZFUKMBO-MRVPVSSYSA-N 325.358 0.571 70 20 ECID CC#CCN1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808816 OLMBKLZDARKIFH-NSHDSACASA-N 327.381 0.748 70 20 ECID CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC[C@@H](N(C)C)C1 217139776 KPGWVYNDZYBQCZ-CABCVRRESA-N 325.453 0.957 70 20 ECID C#CCN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1079044581 IAAKTSSXMNGUGT-SCDSUCTJSA-N 339.392 0.889 70 20 ECID O=C(N[C@H]1CCN(CC2CC2)C[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1090576873 OCAFAFURRDILOI-AAEUAGOBSA-N 345.396 0.248 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN([C@H]2CCC[C@H]2O)CC1 1345746749 FBQGKNQAMCYIAS-QWHCGFSZSA-N 345.396 0.344 70 20 ECID CN(C)C(=O)CN1CCC(NC(=O)N(C)C[C@H]2CCC[C@@H]2O)CC1 161092798 GTYVVDVDKFTHDN-HIFRSBDPSA-N 340.468 0.341 70 20 ECID CC(C)[C@@H](CNC(=O)N1CCC[C@@](C)(O)C1)N1CCN(C)CC1 160133760 WXRUSECJCOHMFU-NVXWUHKLSA-N 326.485 0.815 70 20 ECID CCCN(C(=O)CN1CCNCC1=O)[C@@H]1C[C@H](OCC)C1(C)C 160631743 WLKBNTFSVRIIFL-KGLIPLIRSA-N 325.453 0.860 70 20 ECID Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@@H](CO)CC(C)C 160696457 OKNLVWIRBUCVJK-GFCCVEGCSA-N 334.424 0.779 70 20 ECID C[C@H]1CN(C(=O)Cn2cc(NC(=O)C[C@@H]3CCCN3)cn2)C[C@@H](C)O1 160712137 PNCAWWBHUTWVGY-MJBXVCDLSA-N 349.435 0.600 70 20 ECID C#CCN1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1023590738 FANQYGAJEBGJLH-NSHDSACASA-N 327.381 0.748 70 20 ECID C[C@H](O)CN[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1000236102 NYXNMXLRYUUEFS-UWVGGRQHSA-N 333.385 0.248 70 20 ECID COC[C@H](C)N1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008547466 NTHBNWTZRVXESC-QWRGUYRKSA-N 347.412 0.902 70 20 ECID COCC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1011393003 XCGDDXUGSUPGME-PSASIEDQSA-N 347.368 0.039 70 20 ECID CCC(=O)N1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 939926962 OYKUOZAWWAEXKI-UHFFFAOYSA-N 331.369 0.757 70 20 ECID O=C(NCCS(=O)(=O)C1CC1)c1ccc(S(=O)(=O)F)cc1 865211632 XFJKRVLZTFUFFE-UHFFFAOYSA-N 335.378 0.652 70 20 ECID CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C 161391866 ZBWBESMRYKYSLR-RQJABVFESA-N 333.498 0.795 70 20 ECID CCOC(=O)C1CCN(C(=O)[C@@H](C)N(C)C[C@H](O)C2CC2)CC1 160731672 DRPQSERVRWAXCC-DOMZBBRYSA-N 326.437 0.879 70 20 ECID CC[C@@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)c1c[nH]cn1 160829861 WYNYQCIWPHOFRV-NSHDSACASA-N 343.430 0.941 70 20 ECID O=C1C[C@@H](Cc2ccc(C(=O)N3C[C@@H]4CCC[C@H](C3)N4)cc2)C(=O)N1 159657224 LLMHCUWBLWKSGX-OAGGEKHMSA-N 341.411 0.858 70 20 ECID COC1(CNC(=O)Cn2nnc(-c3ccccc3)n2)CCOCC1 159373268 UAQZZEIIXCUDRH-UHFFFAOYSA-N 331.376 0.652 70 20 ECID COCCN1CC=C(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1001156072 HKXRJGBHAACTBU-UHFFFAOYSA-N 345.396 0.681 70 20 ECID Cc1nc([C@@H](C)NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n[nH]1 1133981342 OJRFEFIBYLWCBO-SSDOTTSWSA-N 344.372 0.180 70 20 ECID C[C@H](CCCCNCC(N)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1175317221 MXFNLIZUWXWABV-SECBINFHSA-N 348.400 0.036 70 20 ECID O=C(N[C@H]1COc2ccccc2[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1347341003 WINRFRGJGVKSRZ-WCQYABFASA-N 340.332 0.897 70 20 ECID Cn1nccc1[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1355078984 XTKJPJKHJNKSEE-GFCCVEGCSA-N 342.352 0.620 70 20 ECID Cn1cnnc1[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1518678675 LLLCYEVBONRFCL-VIFPVBQESA-N 341.368 0.821 70 20 ECID COCCn1nnc2c1CCN(c1ccc(S(=O)(=O)F)cn1)C2 1550625247 UCNSGIRJWWDAPW-UHFFFAOYSA-N 341.368 0.540 70 20 ECID O=S(=O)(F)c1ccc(N2CC[C@H]3[C@@H]2CCCN3CCO)nc1 1551207414 XGFANKFQGNNBNH-STQMWFEESA-N 329.397 0.775 70 20 ECID CN(CCNCc1ccnn1C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1753232740 JOQHVFZKKFGYRZ-UHFFFAOYSA-N 343.384 0.268 70 20 ECID CC(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC[C@H](C)O 1753840511 GVQZZRXRASYPJV-JOYOIKCWSA-N 335.401 0.398 70 20 ECID CN1CCN(c2ncccc2CNC(=O)N2CCC[C@](C)(O)C2)CC1 161130940 FKAWJPCOHDYAHM-SFHVURJKSA-N 347.463 0.890 70 20 ECID Cn1cnc(-c2ccc(NC(=O)N3CCN4C(=O)NC[C@@H]4C3)cc2)n1 161365527 HOEHZIWJYPBFBB-CYBMUJFWSA-N 341.375 0.723 70 20 ECID CNC(=O)CCCN(C)CC(=O)NC[C@H](c1ccccc1)N(C)C 159490525 VYEPVYBZPTVSBW-MRXNPFEDSA-N 334.464 0.864 70 20 ECID C[C@H](c1ccccc1)N1C(=O)C(=O)N(CCS(=O)(=O)F)C1=O 883953874 OJYJWKXEVKOXLT-SECBINFHSA-N 328.321 0.838 70 20 ECID COCCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1052715976 KEXGHTFOOFGWSG-LLVKDONJSA-N 347.412 0.904 70 20 ECID C[C@@H](CCCCNC[C@@H](C)O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1175317890 SVPBUIMZPLAZBX-WDEREUQCSA-N 349.428 0.932 70 20 ECID CCOCCNC(=O)COC(=O)c1cccc(S(=O)(=O)F)c1 1339912195 DPPQEPHOBJXHSY-UHFFFAOYSA-N 333.337 0.654 70 20 ECID CNC(=O)[C@]12CCOC[C@@H]1CN(c1ccc(S(=O)(=O)F)cn1)C2 1551409836 OHDHDLNXSQWAKL-HZMBPMFUSA-N 343.380 0.329 70 20 ECID CCC(O)(CC)CNC(=O)N[C@H]1CCc2nc(COC)nn2C1 160639810 XIYFPEMEDRENNN-NSHDSACASA-N 325.413 0.590 70 20 ECID CC(C)(C)OC(=O)NCCNC(=O)NCCCN1CCOCC1 217263658 KYWXYOKXWPVDFU-UHFFFAOYSA-N 330.429 0.533 70 20 ECID O=C(N[C@H]1CC[C@H](NCCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1034737182 SWENRUPIUXJZOH-MGCOHNPYSA-N 333.385 0.296 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCN(C(C)=O)C1 942975407 WMTYKVJEXMMWHX-JTQLQIEISA-N 331.369 0.756 70 20 ECID C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CC#N 947725934 GBWNHEWCJZDYES-ZJUUUORDSA-N 328.369 0.779 70 20 ECID O=C(NC[C@@H]1CCN1C(=O)C1CC1)c1cc(S(=O)(=O)F)c[nH]1 952163847 FVRGEYDNFLMACU-VIFPVBQESA-N 329.353 0.414 70 20 ECID O=C(NCCCNc1cnc(F)cn1)c1cc(S(=O)(=O)F)c[nH]1 1094800992 FYWPIZWXLVKXLN-UHFFFAOYSA-N 345.331 0.834 70 20 ECID CN(C(=O)c1cccc(S(=O)(=O)F)c1)[C@H]1CCS(=O)(=O)C1 1337726360 NKZQXQDVKATVKG-JTQLQIEISA-N 335.378 0.604 70 20 ECID COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263760584 HEEZJHATVRFWRU-LDYMZIIASA-N 348.352 0.466 70 20 ECID Cn1cc([C@H]2CN(c3ccc(S(=O)(=O)F)cn3)C[C@@H]2CO)cn1 1551211137 ZJFNIKWXJNHFQL-DGCLKSJQSA-N 340.380 0.686 70 20 ECID CCNC1CCN(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1754850884 XXNLFLDZPCLGNN-UHFFFAOYSA-N 346.428 0.477 70 20 ECID Cn1cnnc1Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 161024288 LDKRDZLYZQZEGS-UHFFFAOYSA-N 340.265 0.291 70 20 ECID N[C@@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 160262199 QUEJIWJNHOYFBF-UONOGXRCSA-N 337.445 0.647 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H](COC)C1)CC2 160687669 HBHDILMKHWVIRJ-QWHCGFSZSA-N 337.424 0.807 70 20 ECID O=C1C[C@@H](C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCN1 159661124 ACMUMMCLMPWNEL-KRWDZBQOSA-N 344.459 0.447 70 20 ECID CCN(CC)S(=O)(=O)CC(=O)N[C@@H]1c2ccccc2C[C@H]1O 159781772 SPODFHLXUVEDDU-UKRRQHHQSA-N 326.418 0.433 70 20 ECID C#CCN1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]2C1 1049065834 YXBBLAQJVWNCEY-PHIMTYICSA-N 325.365 0.310 70 20 ECID C[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(S(=O)(=O)F)cc1 864242981 VVLRQVHFYSXKQT-SECBINFHSA-N 337.394 0.898 70 20 ECID CCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1078470016 DHRJRDRRLCISJW-SNVBAGLBSA-N 333.385 0.514 70 20 ECID C[C@H](O)CN1CCC(CN(C)S(=O)(=O)Cc2ccon2)CC1 161441627 SJWLRFRCWFMILJ-LBPRGKRZSA-N 331.438 0.529 70 20 ECID CCCNC(=O)CN1CCC(NC(=O)N2CCO[C@@H](C)[C@@H]2C)CC1 160121555 SCKJITDIRNBLII-KBPBESRZSA-N 340.468 0.796 70 20 ECID C#CCN1[C@H]2CCC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1039921452 UHEMKKMGGJKQKH-RYUDHWBXSA-N 339.392 0.985 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC2(CCN(CCCO)C2)C1 1072989520 KPFHZPNWNGXTSJ-UHFFFAOYSA-N 345.396 0.203 70 20 ECID CNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1 1338388573 ARAYFZKBLQUMFF-UHFFFAOYSA-N 328.365 0.943 70 20 ECID CC(C)(CNC(=O)c1cccc(S(=O)(=O)F)c1)S(C)(=O)=O 1336948993 FVHJWAOWIITZEH-UHFFFAOYSA-N 337.394 0.898 70 20 ECID C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1518263876 VFENGNNZBMVZRU-HRDYMLBCSA-N 331.369 0.753 70 20 ECID COCCN(C)S(=O)(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 161225971 BCWUMNJDDUNPOD-ZDUSSCGKSA-N 341.433 0.484 70 20 ECID CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(NCC2CC2)CC1 159822939 HLYLJLREPFMAMB-SWLSCSKDSA-N 345.509 0.941 70 20 ECID NC1(CNC(=O)CCCS(=O)(=O)N2CCCC2)CCCCC1 159459304 VPTQDDWUTNZBKR-UHFFFAOYSA-N 331.482 0.970 70 20 ECID O=C(N[C@H]1CCN(C(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 938844804 QJEMDBJPVCQXEI-VIFPVBQESA-N 329.353 0.414 70 20 ECID C=CCCN1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961786354 GTNNINIEWCSPAK-QWRGUYRKSA-N 327.381 0.909 70 20 ECID O=C(NCCCNCC[C@@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1166871901 WOWCFDBVMCKROX-LLVKDONJSA-N 347.412 0.809 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](C(=O)N2CCCC2)C1 1340623828 CIJUNCLEFREVSK-JTQLQIEISA-N 343.380 0.757 70 20 ECID O=C(Nc1cccc(S(=O)(=O)F)c1)[C@@]12CNC[C@@H]1CCOC2 1580778862 YYNTXRYJPBICLF-IINYFYTJSA-N 328.365 0.909 70 20 ECID CCC(=O)N1CCCC[C@H]1C(=O)NCC1CCN(CCO)CC1 160583851 PSDJUEZHLOIHNA-HNNXBMFYSA-N 325.453 0.598 70 20 ECID Cc1nsc(N2CCN(C(=O)CNC(=O)c3cccnc3)CC2)n1 160853972 RBWCWVWKAAQFMY-UHFFFAOYSA-N 346.416 0.320 70 20 ECID CSC[C@](C)(O)CNC(=O)c1ccc(NS(C)(=O)=O)cc1 217688012 KSQDYNVFRGLSKI-CYBMUJFWSA-N 332.447 0.902 70 20 ECID O=C(COC(=O)c1ccc(S(=O)(=O)F)cc1)NC[C@H]1CCCO1 838087924 LEYUSKKYZDMCCT-LLVKDONJSA-N 345.348 0.797 70 20 ECID C[C@H](CNc1ncccn1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1108115088 SHYXBHXUDPLCMT-MRVPVSSYSA-N 327.341 0.693 70 20 ECID C[C@@H]1CN(CCCO)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1080466696 YMHXUJKRNLKYJJ-BXKDBHETSA-N 333.385 0.105 70 20 ECID O=C(COCCOc1ccccc1)NCC1CCN(CCO)CC1 160593865 GQZQIVUIBAPFLY-UHFFFAOYSA-N 336.432 0.903 70 20 ECID CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H](N)CC(C)C)CC2 160879357 JTTHMEZYVOZFNQ-CYBMUJFWSA-N 325.434 0.857 70 20 ECID O=C(C[C@@H]1NC(=O)NC1=O)NC1CCN(Cc2ccsc2)CC1 159660660 WDVNKIXIUPOPHX-LBPRGKRZSA-N 336.417 0.427 70 20 ECID CN1CCO[C@H]2CN(C(=O)CNC(=O)Cc3cccc(F)c3)C[C@@H]21 159677974 SUANHCBQDMMYMP-GJZGRUSLSA-N 335.379 0.026 70 20 ECID C[C@H](NCCO)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 159721097 ZWYQUBVXJKNPBN-ZDUSSCGKSA-N 329.466 0.560 70 20 ECID Cn1cnnc1C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1123465771 UUIBYJGGFRHJPR-UHFFFAOYSA-N 341.368 0.821 70 20 ECID O=C(N[C@@H]1CCN(CC2CC2)C[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1090576874 OCAFAFURRDILOI-DGCLKSJQSA-N 345.396 0.248 70 20 ECID O=C(CCn1c(=O)oc2ccccc21)NC[C@H](O)CN1CCCCC1 160148149 YQHDLCWFGMNYOM-AWEZNQCLSA-N 347.415 0.948 70 20 ECID Cn1cc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cn1 160408111 QBBITWBAAXYABS-LLVKDONJSA-N 343.391 0.760 70 20 ECID O=C1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)N1 160413788 MZRQXGNUCVNABF-CABCVRRESA-N 329.400 0.615 70 20 ECID CS(=O)(=O)CCS(=O)(=O)N[C@H]1CCCc2cc(N)ccc21 159462608 PPTPYHMACMGLRS-ZDUSSCGKSA-N 332.447 0.610 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1CCS(=O)(=O)C1 159979528 CCWIVEBSEIAVKI-CYBMUJFWSA-N 332.466 0.238 70 20 ECID COCC(=O)N1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 943822317 PWLCOGIRAKPDON-SECBINFHSA-N 347.368 0.040 70 20 ECID CO[C@@H](CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCC1 1133981482 QEWZLXHXAAYNTO-ZDUSSCGKSA-N 347.412 0.807 70 20 ECID C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 987191257 VOBGPDDOMMNTOL-KCJUWKMLSA-N 343.380 0.802 70 20 ECID CNC(=O)c1c(NC(=O)c2cccc(S(=O)(=O)F)c2)n[nH]c1C 1338819495 LRRYSKZZNYNJMU-UHFFFAOYSA-N 340.336 0.988 70 20 ECID CC(C)(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@]1(O)CCCOC1 1348816926 HUEMMTSCKLUBFW-CQSZACIVSA-N 348.396 0.970 70 20 ECID COc1cc(C(=O)N(CC#N)CC(=O)O)ccc1S(=O)(=O)F 1607068227 YROSEMMRMHYYOW-UHFFFAOYSA-N 330.293 0.404 70 20 ECID CCc1nnsc1C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 160323581 LOSHHXKAWNAHKQ-PSASIEDQSA-N 332.451 0.548 70 20 ECID CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 160789274 WNWNSCAZZGKIQB-CYBMUJFWSA-N 344.481 0.290 70 20 ECID CC(C)(C)NC(=O)CNC(=O)COc1ccc(-n2cncn2)cc1 160891657 ZNRZUNBTXAJPEE-UHFFFAOYSA-N 331.376 0.677 70 20 ECID Cc1cc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1F 159597173 NOKAGQPTVJNZDL-UHFFFAOYSA-N 347.354 0.497 70 20 ECID COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)F)cc1 838087901 KVYZPDYDEYRSMF-MRVPVSSYSA-N 347.320 0.179 70 20 ECID O=C(NCC1CN(C(=O)C(F)F)C1)c1cc(S(=O)(=O)F)c[nH]1 1004490542 VOKIBQAQQYRJFQ-UHFFFAOYSA-N 339.295 0.126 70 20 ECID CC(=O)NC[C@H]1C[C@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1010306278 KYRQKZBOBRQFMX-WCBMZHEXSA-N 331.369 0.660 70 20 ECID COC(=O)C[C@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCOC1 864241195 NAOWDIQJUHEECP-CQSZACIVSA-N 345.348 0.797 70 20 ECID O=C(NC[C@H]1CN(CC2CC2)CCO1)c1cc(S(=O)(=O)F)c[nH]1 1035510334 LJTFKBFEMSKTOE-NSHDSACASA-N 345.396 0.514 70 20 ECID CO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1075798243 WJXGKWJFFYXQNA-DTWKUNHWSA-N 349.384 0.332 70 20 ECID O=C(O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)nn1 1595144607 IKAJZZSDFOEREC-UHFFFAOYSA-N 328.281 0.273 70 20 ECID CN(C)CCN(CCOCCO)S(=O)(=O)c1ccc(F)cc1 161300822 FOZFOJCXAYTRLZ-UHFFFAOYSA-N 334.413 0.387 70 20 ECID O=C(NCC1CCN(CCO)CC1)c1ccc(-n2cncn2)cc1 160625801 MPNHDXOGSKXRTL-UHFFFAOYSA-N 329.404 0.701 70 20 ECID CNS(=O)(=O)c1ccc(C(=O)N2CCC(NCC3CC3)CC2)o1 159876251 LUQPZTZJWYPQAU-UHFFFAOYSA-N 341.433 0.792 70 20 ECID O=C(NC1[C@H]2CN(C(=O)C3CC3)C[C@H]12)c1cc(S(=O)(=O)F)c[nH]1 1013807450 OXHSQAKKBMEXRM-UWVGGRQHSA-N 341.364 0.270 70 20 ECID Cn1c(=O)[nH]c2ccc(C(=O)NCCCNC(=O)C3CCC3)cc21 160901910 GKDXECCLLUKKED-UHFFFAOYSA-N 330.388 0.903 70 20 ECID C[C@H](CN1CCCCC1)NC(=O)c1ccnc2c(C(N)=O)cnn12 159903069 MAYSBKPYFNPASQ-LLVKDONJSA-N 330.392 0.432 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2[C@@H](NCCO)CC[C@H]2C1 1026361426 UWTBWIPVUARYDX-WCQGTBRESA-N 345.396 0.105 70 20 ECID Cc1ncoc1CN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1030972066 KDFDOOSEWARIHD-UHFFFAOYSA-N 342.352 0.584 70 20 ECID O=C(c1cccc(S(=O)(=O)F)c1)N1CCOC[C@@]12CCOC2 1337360988 NATXBSUBXUFHLY-AWEZNQCLSA-N 329.349 0.976 70 20 ECID CN(CCCC(=O)N1CC(O)C1)S(=O)(=O)c1ccc(F)cc1 161403401 YSFHLTNTUQPATG-UHFFFAOYSA-N 330.381 0.430 70 20 ECID COC[C@H](O)CCNC(=O)CCn1cc(Br)ccc1=O 160966631 VHFAEYXWCBNSNO-LLVKDONJSA-N 347.209 0.515 70 20 ECID COC(=O)Cn1cc(CCn2nnc(-c3ccc(F)c(C)c3)n2)nn1 159675070 IIRSERLWMONPFH-UHFFFAOYSA-N 345.338 0.795 70 20 ECID Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cn1 159940147 AZUOPNIITJBPTH-INIZCTEOSA-N 347.463 0.717 70 20 ECID COC[C@@H](C)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1038711503 ZHVRUGWUVBNFIQ-NXEZZACHSA-N 333.385 0.512 70 20 ECID O=C(NCCCCCCNCCO)c1cc(S(=O)(=O)F)c[nH]1 1179617152 MZCDCFZKKKRIHT-UHFFFAOYSA-N 335.401 0.545 70 20 ECID CCC(=O)NCCN(CCOC)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1756723427 UDQSOZIONIKHJG-UHFFFAOYSA-N 349.384 0.288 70 20 ECID CCCNC(=O)CNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C 160059587 RYAMELBMQRWFJL-UHFFFAOYSA-N 343.387 0.762 70 20 ECID O=C(c1ccc(=O)[nH]c1)N1CCN(CCOC[C@@H]2CCCO2)CC1 159439147 MXXONKOMMHKDDH-HNNXBMFYSA-N 335.404 0.328 70 20 ECID N[C@@H]1CCC[C@@H](NC(=O)Cn2cc(Br)ccc2=O)C1 161300995 BFENOWKJFRQUSW-GHMZBOCLSA-N 328.210 0.997 70 20 ECID CCOC(=O)Cn1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1517954316 CTCFSPTVTTWUGT-UHFFFAOYSA-N 344.324 0.685 70 20 ECID Cc1cc(C(=O)NC2(CO)CC2)cc(S(=O)(=O)N(C)C)c1C 160522627 GALKQQKOPBTFPP-UHFFFAOYSA-N 326.418 0.808 70 20 ECID CC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958985909 GFSICMUKMBVWAZ-SCZZXKLOSA-N 331.369 0.660 70 20 ECID CCOC[C@@H](C(=O)O)N(C)C(=O)c1cccc(S(=O)(=O)F)c1 1596877834 AQYZOFWSCNTMIL-NSHDSACASA-N 333.337 0.907 70 20 ECID Cc1c(C(=O)N2C[C@H](C)OC[C@H]2C)cnc2c1c(=O)n(C)c(=O)n2C 161132004 XMXOFFIKWPZILX-ZJUUUORDSA-N 346.387 0.190 70 20 ECID CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)nn1 160615673 CCFKDYVZDALEEZ-CYBMUJFWSA-N 349.435 0.978 70 20 ECID C#CCCN1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141021 CORYZWMMYJOUJI-LLVKDONJSA-N 327.381 0.890 70 20 ECID COCCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1017960085 YVLXUOJZTXKJGJ-PHIMTYICSA-N 345.396 0.608 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CN(CC2CC2)C[C@@H]1O 1047530003 YWNUNGYJXJZXNT-STQMWFEESA-N 345.396 0.200 70 20 ECID O=C(NCCCNCC1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1166880181 UVTGUUDHJDDVRS-UHFFFAOYSA-N 347.412 0.809 70 20 ECID CC[C@@H](CN1CCOCC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1263935464 FECGJUNEXRRGJR-JTQLQIEISA-N 333.385 0.514 70 20 ECID O=C(O)Cn1cnc(NC(=O)c2cccc(S(=O)(=O)F)c2)n1 1574748439 XAQXMXSTYMISLP-UHFFFAOYSA-N 328.281 0.273 70 20 ECID C[C@@](Cn1cccn1)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)O 1592924646 JVZZDCMUDXCWDA-LBPRGKRZSA-N 344.324 0.143 70 20 ECID CCC[C@H]1C(=O)NCCN1C(=O)Nc1cccnc1-n1cncn1 160727281 DYIKKDZKYKPXEC-LBPRGKRZSA-N 329.364 0.795 70 20 ECID C[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(S(=O)(=O)F)cc1 864242982 VVLRQVHFYSXKQT-VIFPVBQESA-N 337.394 0.898 70 20 ECID O=C(NC[C@@H]1CCCS1(=O)=O)c1ccc(S(=O)(=O)F)cc1 864244529 ZSELARXNAXGNFC-NSHDSACASA-N 335.378 0.652 70 20 ECID C[C@@H]1CN(CC#N)C[C@H]1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1103446023 SYNIHUKJZNIABF-GHMZBOCLSA-N 342.396 0.884 70 20 ECID CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 946316764 IEMZWHASEPVQCI-ONGXEEELSA-N 331.369 0.708 70 20 ECID CCN(CCS(C)(=O)=O)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123742919 MIQFJTSRSCWULW-UHFFFAOYSA-N 326.371 0.180 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](NC[C@H]2CCOC2)C1 969991913 OKQWLWLNPYMPLG-GHMZBOCLSA-N 345.396 0.514 70 20 ECID O=C(NCCNC[C@H]1C[C@]12CCOC2)c1cc(S(=O)(=O)F)c[nH]1 1133981575 UHYUTHILRQNPAE-YGRLFVJLSA-N 345.396 0.419 70 20 ECID CC(=O)N(C)C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 988351336 KGDDWHSXUOAFJE-SNVBAGLBSA-N 331.369 0.613 70 20 ECID CC[C@@H](C)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999955855 UBXLRMZESZEBHT-MRVPVSSYSA-N 331.369 0.660 70 20 ECID O=C1C[C@@H](c2nc(C3CC3)no2)CN1C1CN(S(=O)(=O)F)C1 1887497640 REMRDTPMSYHWCF-MRVPVSSYSA-N 330.341 0.161 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)NC1(C(=O)O)CCOCC1 1574538918 WTHSXOXKBIDXIV-UHFFFAOYSA-N 345.348 0.637 70 20 ECID CCN1CCC[C@@H]1CNC(=O)Cc1cccc(OCC(=O)NC)c1 161082092 COWONBBLUNRESO-OAHLLOKOSA-N 333.432 0.954 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N[C@H](CO)CC(C)C)ccc1F 161232376 SPBYTGGVKWHZEI-NSHDSACASA-N 332.397 0.871 70 20 ECID COC(=O)C[C@@H](C)N1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 160683602 QWUGJAQHKWDTOV-GFCCVEGCSA-N 345.403 0.678 70 20 ECID CC[C@@H](CCO)NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 159437547 HLMWBFKCSYCHQY-QMMMGPOBSA-N 340.854 0.957 70 20 ECID CC#CCN1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035512148 SREYMJZAKRRWNQ-NSHDSACASA-N 343.380 0.127 70 20 ECID CC(C)C(=O)NC1[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]12 1012796861 JDMWCMOWDJQZSJ-UWVGGRQHSA-N 343.380 0.516 70 20 ECID CO[C@H](C)CN1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1031983734 KDQDITKTFBBOSN-SECBINFHSA-N 333.385 0.369 70 20 ECID CC(=O)N1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@H]21 946046147 HOQVIMNFPCXECP-GXFFZTMASA-N 343.380 0.756 70 20 ECID CC(C)(F)C(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952162629 DZJXGUOQIPKWKD-MRVPVSSYSA-N 349.359 0.752 70 20 ECID O=S(=O)(F)CCn1nnc(-c2ccc(Br)o2)n1 883953265 OBKGTPGGLGCNII-UHFFFAOYSA-N 325.119 0.995 70 20 ECID CCCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1201418613 BQGFHJDAFUBVQK-LLVKDONJSA-N 347.412 0.904 70 20 ECID CNC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1 1347809639 MNHQKHKYHPLSCK-UHFFFAOYSA-N 339.348 0.963 70 20 ECID C[C@]1(C(N)=O)CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1 1262796535 DZDKCYUWWONZKX-AWEZNQCLSA-N 328.365 0.611 70 20 ECID C[C@H](NC(=O)NC[C@@H](C)CN1CCOCC1)C(=O)N1CCCCC1 160358453 CXLJZZMHDZPGLQ-CABCVRRESA-N 340.468 0.655 70 20 ECID O=C(OCCCN1C(=O)CNC1=O)c1ccc(S(=O)(=O)F)cc1 490538200 XUFRXLBUWGLWHU-UHFFFAOYSA-N 344.320 0.444 70 20 ECID O=C(NCC1CN(Cc2ccon2)C1)c1cc(S(=O)(=O)F)c[nH]1 1031984219 ZVQPVLODPIWIAV-UHFFFAOYSA-N 342.352 0.523 70 20 ECID COCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 942860316 RJFFKUNUNZOEJB-ZYHUDNBSSA-N 347.412 0.760 70 20 ECID CSCC(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952163501 XMWUARAFWRCZGK-QMMMGPOBSA-N 349.409 0.367 70 20 ECID N#CCN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]2C1 1088109852 CGFYZQYDWOTJFD-MNOVXSKESA-N 340.380 0.590 70 20 ECID CC#CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1088864279 AXBDSYWBHLJNSE-PWSUYJOCSA-N 327.381 0.889 70 20 ECID CC(C)(CCS(C)(=O)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1354469627 OLQALVALXVSOKY-UHFFFAOYSA-N 340.398 0.616 70 20 ECID C[C@H](CNS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1)CN1CCOCC1 160388322 DVMIULGATHOHOC-QLFBSQMISA-N 333.498 0.767 70 20 ECID Cn1c(Cl)cnc1CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 159404331 XNTOOXDETDGYIN-GFCCVEGCSA-N 325.844 0.988 70 20 ECID Cn1cc(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)cc1C(N)=O 159361041 NLWBBEBZAMCFMY-NSHDSACASA-N 349.416 0.076 70 20 ECID CS(=O)(=O)CCNC(=O)CCc1ccc(S(=O)(=O)F)cc1 1354363713 JMORPXJLEDJPAB-UHFFFAOYSA-N 337.394 0.438 70 20 ECID CCC(=O)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1012107290 HPAMKOVWVLWPEI-BDAKNGLRSA-N 331.369 0.802 70 20 ECID O=C(N[C@@H]1CCN(C(=O)CC2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 942441683 QQMLRRQNFXQVRZ-SNVBAGLBSA-N 343.380 0.804 70 20 ECID CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1047529784 NYSUBPHHHKRWES-RYUDHWBXSA-N 333.385 0.198 70 20 ECID CCCCOCCNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133982782 MMPDNJATMCHKDK-UHFFFAOYSA-N 335.401 0.809 70 20 ECID C[C@H]1[C@@H](NC[C@@H](C)O)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1074890751 BIJFQGAWIJOVPL-YWVKMMECSA-N 333.385 0.246 70 20 ECID C[C@H](O)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1088864623 VTWKFWBRXOVFES-NGZCFLSTSA-N 333.385 0.246 70 20 ECID C[C@@H](O)CCCNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166871828 SYXGDSIKHSQAIJ-SNVBAGLBSA-N 335.401 0.543 70 20 ECID COC(=O)[C@H](CC(F)F)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1263760654 JBPSXZYJHOXJDY-ZETCQYMHSA-N 328.268 0.600 70 20 ECID NC(=O)c1ccc(S(=O)(=O)N2CCC(NCC3CC3)CC2)cc1 160149913 YACTUVYSLVHIFI-UHFFFAOYSA-N 337.445 0.938 70 20 ECID CCN(CCCNC(=O)Cc1c(C)noc1Cl)S(C)(=O)=O 160724895 XOEXATPSPWFRPZ-UHFFFAOYSA-N 337.829 0.967 70 20 ECID O=C(C[C@H]1CCCN1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 160980735 NKGRGRJKFOGZLN-CABCVRRESA-N 331.416 0.925 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 160981654 SEGJACDHZYDARS-NEPJUHHUSA-N 326.418 0.866 70 20 ECID O=C(CCS(=O)(=O)NCCn1ccnc1)OCc1ccccc1 159668030 HYHILJIZLXZKEX-UHFFFAOYSA-N 337.401 0.936 70 20 ECID Cn1nnnc1SCCC(=O)Nc1ccc(S(=O)(=O)F)cc1 460092290 LHIBLIFLYSMPSL-UHFFFAOYSA-N 345.381 0.989 70 20 ECID CCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1000526205 GFYNSOWUMNJZQS-QRTLGDNMSA-N 343.380 0.945 70 20 ECID CN(C(=O)C1CC1)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 939726608 RAPWRHVNAXRCNJ-SNVBAGLBSA-N 343.380 0.756 70 20 ECID O=C(NC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1 948606756 ZLNCMABHOSZOQE-VIFPVBQESA-N 329.353 0.414 70 20 ECID CC(C)OCCCNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133980808 BVNPVHFLOHXJER-UHFFFAOYSA-N 335.401 0.807 70 20 ECID C[C@H](OC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)NCC(=O)O 1593584741 IGYYSQOOSKWTPP-ZETCQYMHSA-N 333.293 0.091 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)co1 160380256 LVFFIDZUIMXABW-WCQYABFASA-N 341.433 0.744 70 20 ECID CC(=O)N1CC[C@H](CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1058972914 CPRGGNJIAZFAMB-JTQLQIEISA-N 331.369 0.661 70 20 ECID C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCO 947726844 TWTVYWYHRFCBEQ-UWVGGRQHSA-N 333.385 0.248 70 20 ECID CC(C)C(=O)N[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 966840155 INCQBEITWJMXPT-CABZTGNLSA-N 345.396 0.906 70 20 ECID O=C(N[C@@H]1CCCC[C@H]1NCCCO)c1cc(S(=O)(=O)F)c[nH]1 1228653480 FKZFBXODSXMJML-VXGBXAGGSA-N 347.412 0.686 70 20 ECID C=CCOCCNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166871349 AXSVRHXVBRTRFM-UHFFFAOYSA-N 333.385 0.585 70 20 ECID C[C@H]1[C@@H](NCCCO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1179550416 VWGBIIIHDCGYDX-ONGXEEELSA-N 333.385 0.248 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H](Cn2ccnn2)C1 1348034355 LIHZHFPKISECBH-SNVBAGLBSA-N 341.368 0.817 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 161096844 HLCILZDBJIZNDV-DLBZAZTESA-N 335.448 0.489 70 20 ECID COC(=O)CCNC(=O)CN1CCC([C@@H](O)C(F)(F)F)CC1 161259835 RZKRMSQJYBFPAO-GFCCVEGCSA-N 326.315 0.301 70 20 ECID CC(C)[C@@H](C(=O)NCC1CCN(CCO)CC1)N1CCCC1=O 160702605 KQQPUXRATQQCAC-INIZCTEOSA-N 325.453 0.454 70 20 ECID Cn1cnnc1CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 160722732 OQAYGPXWOXYDAU-OAHLLOKOSA-N 343.387 0.442 70 20 ECID CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](CO)CC(C)C)ccc21 160787071 JSPJOEQTJCDBGT-GFCCVEGCSA-N 333.388 0.847 70 20 ECID COC[C@@H](O)CCNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 160901484 CVYFTDPBIBTNPI-ZDUSSCGKSA-N 335.335 0.499 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1NCC#N 1036195030 QWASIBAPPTYHBG-ONGXEEELSA-N 328.369 0.637 70 20 ECID COC[C@@H](C)N1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033429679 KWNFQNXWNUSYER-MNOVXSKESA-N 347.412 0.854 70 20 ECID CCO[C@@H]1COC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1128909886 HRDKHPUZYKRPAS-CHWSQXEVSA-N 331.365 0.807 70 20 ECID O=C(N[C@@H]1CN(CC2CCC2)C[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1077689751 CUXRSRUIAOBDTJ-CHWSQXEVSA-N 345.396 0.248 70 20 ECID CNC(=O)[C@]1(C)CCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1 1354883997 FDAIEQQPXZDYEV-CQSZACIVSA-N 328.365 0.943 70 20 ECID C[C@@H]1NC(C(=O)N2CCOC[C@H]2C2CC2)=NN(c2ccccc2)C1=O 161256577 JCRUNOQRXZKJHU-WFASDCNBSA-N 342.399 0.962 70 20 ECID Cc1nc(CC(C)C)c(NC(=O)C(=O)NC[C@H](O)CN(C)C)s1 161318408 HMXJLAFIASZASU-NSHDSACASA-N 342.465 0.627 70 20 ECID C[C@H](CNC(=O)C1(NC(N)=O)CC1)N1CCN(c2ccccc2)CC1 160424575 YCTHZSSEQFDWPM-CQSZACIVSA-N 345.447 0.514 70 20 ECID Cn1cc(CCC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cn1 160564035 JEVNQFLPHPQXPW-CHWSQXEVSA-N 328.438 0.187 70 20 ECID CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)C1=O 160569256 YBOUKERBOKOORK-LLVKDONJSA-N 330.344 0.132 70 20 ECID C[C@H](O)[C@@H]1CCCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 160962549 MDKXHZLKUCTIKA-WDEREUQCSA-N 330.406 0.763 70 20 ECID CC(C)N1CCC[C@@H](CNC(=O)NC[C@@H]2CCCS2(=O)=O)C1 159980785 JASNRJGSGABQEQ-KBPBESRZSA-N 331.482 0.983 70 20 ECID NC[C@@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)CCO1 852745992 BVIONWIWTJGHDQ-ZCFIWIBFSA-N 328.259 0.105 70 20 ECID CO[C@H](C)CN1CC[C@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046627707 HZGYAPRHZFTNFB-YGRLFVJLSA-N 347.412 0.902 70 20 ECID CN(C)CCn1nccc1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1262788320 YVEDUQCZNGDLQQ-UHFFFAOYSA-N 329.357 0.683 70 20 ECID Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(C)(C)CN)cc1 161405114 YFEWRUBAZLQYER-UHFFFAOYSA-N 327.450 0.717 70 20 ECID Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC[C@H]2CN)no1 160380812 ZHGUYNILLUUNFG-QWRGUYRKSA-N 326.422 0.993 70 20 ECID COC[C@H](O)CCNC(=O)c1nc(N2CCCC2)ncc1Cl 160904255 DEPKMRDUHGZDSX-SNVBAGLBSA-N 328.800 0.857 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCN(CCOC)C1 1033953386 LSUHZWYTSLITFF-LLVKDONJSA-N 347.412 0.856 70 20 ECID N#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1049727226 IIXJKNCUJWRFOB-OLZOCXBDSA-N 340.380 0.875 70 20 ECID O=C1NC2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)CO1 1120948186 TVOCQMBNNGMDPU-UHFFFAOYSA-N 331.325 0.388 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@H]([C@@H]2CCCO2)C1 1123648567 MFVQNVQBONIEEH-RYUDHWBXSA-N 332.353 0.693 70 20 ECID CN1CC[C@@H](CNC(=O)C(=O)Nc2ccc3oc(N(C)C)nc3c2)C1 160765900 ATHGYOSPXDEVCT-NSHDSACASA-N 345.403 0.900 70 20 ECID CC(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 1009514994 AQYBIJLLZOIZSU-RTCCRHLQSA-N 329.353 0.127 70 20 ECID COC(=O)COCC(=O)Nc1ccc(F)c(CS(=O)(=O)F)c1 876319025 NNRHOFIMUDGIDC-UHFFFAOYSA-N 337.300 0.753 70 20 ECID CC(C)(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N1CCOCC1 1347808850 DEMAXEXHLMKPAE-UHFFFAOYSA-N 333.385 0.514 70 20 ECID CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@H]1CN)C2=O 160203847 URDABXOUYDALGR-JZLYGMAVSA-N 336.436 0.827 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)NC[C@@](C)(O)CN(C)C)c1CC 160487040 XFYCNUBRQNTGEC-MRXNPFEDSA-N 339.440 0.007 70 20 ECID Cn1cc(N2CCC[C@H](N3CCC(N4CCNC4=O)CC3)C2=O)cn1 159420103 RDBKBOOWEHDGGM-HNNXBMFYSA-N 346.435 0.405 70 20 ECID O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC(NCC2CC2)CC1 159792806 DSXHKVBDXAWKDW-UHFFFAOYSA-N 348.447 0.842 70 20 ECID CC(=O)NC[C@H]1C[C@@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1010306276 KYRQKZBOBRQFMX-PSASIEDQSA-N 331.369 0.660 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2C[C@H]1CN2CCCF 1032633756 DKHBPMJNDBLNFP-UWVGGRQHSA-N 333.360 0.931 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]2CCN(CCO)[C@@H]2C1 1042238395 SNHLWCQIPMIKLD-ZWNOBZJWSA-N 345.396 0.202 70 20 ECID C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 951485457 RDQONBHWGKWHCE-FXPVBKGRSA-N 343.380 0.660 70 20 ECID C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCS(=O)(=O)F)C1=O 883953307 QAYYBEJSZHHHFE-CYBMUJFWSA-N 344.320 0.482 70 20 ECID C[C@H](NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1csnn1 1133981679 YQGZYIGKFDIIMA-ZETCQYMHSA-N 347.397 0.605 70 20 ECID O=C(N[C@@H]1CCC[C@H](NCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 981340909 PZGKMGIQJXPGQT-VHSXEESVSA-N 333.385 0.296 70 20 ECID Cn1cncc1CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166871371 BPVBZZFWUCFFLL-UHFFFAOYSA-N 343.384 0.316 70 20 ECID C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CCc1ccc(S(=O)(=O)F)cc1 1338168078 XAGHYEHCGHGMOU-QMTHXVAHSA-N 342.392 0.918 70 20 ECID C[C@@]1(CO)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@]1(C)CO 1520303180 UDDHXGIOPFTEPN-BETUJISGSA-N 334.369 0.126 70 20 ECID COCC(=O)N1CCN(C(=O)c2cn(-c3cccc(C)c3)nn2)CC1 160393625 MVWDTHOFSQCKKT-UHFFFAOYSA-N 343.387 0.507 70 20 ECID CN1CC(=O)N(CC(=O)NCCc2csc(C(C)(C)C)n2)C1=O 160610089 PHCHCECYYAZNRD-UHFFFAOYSA-N 338.433 0.993 70 20 ECID C[C@@H](C(=O)N(C)CC(=O)N[C@H]1c2ccccc2C[C@@H]1O)n1cccn1 159824640 XBDODNMGAIFDHE-NUTKFTJISA-N 342.399 0.677 70 20 ECID C[C@H](CC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1)NC(=O)c1ccccc1 159664248 RBAHXOCXWKDQEW-FVQBIDKESA-N 331.416 0.736 70 20 ECID CCOC(C)(C)CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 159685843 BKZRVNAEVRYVNM-UHFFFAOYSA-N 336.435 0.427 70 20 ECID C[C@@H](CNC(=O)N[C@H](C)c1nnc2n1CCCC2)N1CCOCC1 159893158 BRHGCKBXCXBQCJ-QWHCGFSZSA-N 336.440 0.695 70 20 ECID NC(=O)Cn1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)n1 864240464 WWWPQCXRZFSZGR-UHFFFAOYSA-N 326.309 0.279 70 20 ECID CN(C[C@@H]1CCN1CCCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085820178 RYCDIUKZDKWBKA-JTQLQIEISA-N 333.385 0.202 70 20 ECID C#CCCN1C[C@@H](C)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1092976021 FOMFBOBZMWXASK-VXGBXAGGSA-N 341.408 0.994 70 20 ECID C[C@H]1CCCN(C(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 159403886 PIDADDCRFMONFH-GOEBONIOSA-N 336.480 0.659 70 20 ECID CS(=O)(=O)c1ccc(N2CCC(CS(N)(=O)=O)CC2)cc1 159396534 OGADWQRAGCEKQF-UHFFFAOYSA-N 332.447 0.595 70 20 ECID COCCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028140983 CDDMNBBOWNWVPY-JTQLQIEISA-N 333.385 0.514 70 20 ECID COCCN1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808101 ATIWPOZOPLYPJX-JTQLQIEISA-N 333.385 0.371 70 20 ECID COC(=O)C[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)F)cc1 864241860 NZUZOTDIEVOMAA-LLVKDONJSA-N 345.348 0.749 70 20 ECID N#CCN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1079044826 POMKVJCUSJBLES-IRUJWGPZSA-N 340.380 0.779 70 20 ECID CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1083196601 YKDIOBQMXDZSRN-NWDGAFQWSA-N 331.369 0.218 70 20 ECID COCCCN(C)[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1755315937 AGFLMSLAIJPFKG-JTQLQIEISA-N 335.401 0.760 70 20 ECID O=C(NCCn1cccc1)C(=O)Nc1cccc(-n2cnnn2)c1 160141878 GRUKBUFGTQQMHZ-UHFFFAOYSA-N 325.332 0.219 70 20 ECID Cc1c(CNC(=O)NCCCn2nc3n(c2=O)CCCC3)cnn1C 160451369 SARSCMBOYBGOHL-UHFFFAOYSA-N 347.423 0.313 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1cccc(-n2cccn2)n1 160541955 DYGWXDNDBLYICE-CQSZACIVSA-N 329.404 0.844 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1CCS[C@H](C)C1)CC2 160778130 HBIYBLXMOYEZGM-MNOVXSKESA-N 325.438 0.886 70 20 ECID O=C(NCCNS(=O)(=O)c1cccs1)NCc1cccnc1 160888306 GNJGNFOFSSVSCB-UHFFFAOYSA-N 340.430 0.921 70 20 ECID CC(=O)c1cccc(S(=O)(=O)N2CCCS(=O)(=O)CC2)c1 217747323 IGRBASSFVQVMDX-UHFFFAOYSA-N 331.415 0.698 70 20 ECID COC[C@@H](C)N1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141092 FWHSLNRCIGTWNH-MNOVXSKESA-N 347.412 0.902 70 20 ECID C[C@@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN(C(=O)C2CC2)C1 957624861 LVFIMIFFHQKPGM-CQSZACIVSA-N 343.380 0.804 70 20 ECID C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1=O 1121094590 GTLNSCDWJXXYCZ-NSHDSACASA-N 329.353 0.532 70 20 ECID Cc1ccncc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133975835 BJJJSKVHASYHBZ-UHFFFAOYSA-N 340.380 0.896 70 20 ECID Cc1conc1CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166880465 ZDJHDNBHMLSBRE-UHFFFAOYSA-N 344.368 0.879 70 20 ECID COC(=O)C[C@]1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCOC1 1337485422 CEPVHXLBKFFXJG-CQSZACIVSA-N 345.348 0.797 70 20 ECID CCc1nc(CN2CCN(C(=O)c3ccc(OC)nn3)CC2)no1 159463020 PLLOEWGAGWSXRW-UHFFFAOYSA-N 332.364 0.389 70 20 ECID CCS(=O)(=O)CCN(C)C(=O)NCCc1cn2ccccc2n1 159465572 POFZHDQXJKZGBG-UHFFFAOYSA-N 338.433 0.953 70 20 ECID CN(CC(=O)N1CCC[C@@H](C(N)=O)C1)Cc1cccc(N(C)C)c1 159877340 WNTZDHNHEBQSCV-OAHLLOKOSA-N 332.448 0.908 70 20 ECID Cc1nccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCS1(=O)=O 159734584 GYHBQCUGCYVEMX-KBPBESRZSA-N 340.449 0.943 70 20 ECID COC[C@H](C)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1215571205 FAOYEULCBHAAOJ-GBIKHYSHSA-N 347.412 0.758 70 20 ECID CN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CC(F)(F)F 1336962205 UJHGMTBFTAQDEB-UHFFFAOYSA-N 331.291 0.897 70 20 ECID C[C@H](CNC(=O)c1csc(S(C)(=O)=O)c1)N1CCN(C)CC1 160158033 RJVFMKHCYDLJAO-LLVKDONJSA-N 345.490 0.517 70 20 ECID CC[C@H](C)[C@@](C)(O)CNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 160728596 RSNVGLHZNFLEBH-OZVIIMIRSA-N 339.440 0.836 70 20 ECID CCN1CCCN(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 159875781 DQRQISDEOKDYAI-CQSZACIVSA-N 334.424 0.263 70 20 ECID CCN(CC)S(=O)(=O)CCNC(=O)N(C)Cc1cccn1C 159485763 DYLZDNKVIUMXIC-UHFFFAOYSA-N 330.454 0.838 70 20 ECID CC(C)N1CCC[C@H](CNC(=O)NC[C@@H]2CCCS2(=O)=O)C1 159980635 JASNRJGSGABQEQ-KGLIPLIRSA-N 331.482 0.983 70 20 ECID C[C@@H]1C[C@H](NCC#N)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1044746366 HKTBFEFMFZFZAU-NXEZZACHSA-N 328.369 0.779 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](N2CCOC2=O)C1 1355008419 FVALAIHKKMHPII-MRVPVSSYSA-N 331.325 0.340 70 20 ECID Cc1c(NC(=O)C(=O)NC[C@H](O)CN(C)C)cccc1C(F)(F)F 161318940 UJNGUDGVTSJYDT-JTQLQIEISA-N 347.337 0.991 70 20 ECID CN1C[C@@H](C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1=O 160791404 ZFVOGKAJEAZDEW-JTQLQIEISA-N 328.365 0.787 70 20 ECID COCCCS(=O)(=O)NCCNc1nccc(C(F)(F)F)n1 159589528 ROPYJBNFEJALHD-UHFFFAOYSA-N 342.343 0.863 70 20 ECID CCC(=O)N1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 949564613 HOUFVCCNUYOBTC-SECBINFHSA-N 331.369 0.804 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)C1 159673322 VUKLWMTYZHXXEE-JKSUJKDBSA-N 329.400 0.772 70 20 ECID C[C@@H](O)CN1CCC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1001836858 PIDRWDCPOMBVRY-SNVBAGLBSA-N 347.412 0.496 70 20 ECID CCC(=O)N[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 966847501 PGRZIVWDSWIKRX-KCJUWKMLSA-N 331.369 0.660 70 20 ECID C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346341108 MMWDRMVBSNOVQL-HTQZYQBOSA-N 338.382 0.321 70 20 ECID O=C(NCC1(C(=O)O)CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1601474431 BSYGGKYROIGWOP-UHFFFAOYSA-N 334.325 0.284 70 20 ECID CN(C[C@@H]1CCC[C@@H]1O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 161190858 JJMANYYJVJDKBW-AXFHLTTASA-N 337.342 0.952 70 20 ECID O=C(CNS(=O)(=O)c1cccs1)N(CCCCO)C1CC1 160172658 UFDHECFZEADVPF-UHFFFAOYSA-N 332.447 0.790 70 20 ECID CN(C)CCN1CCC(CNC(=O)c2cnc3c(c2)ncn3C)CC1 160495329 HAMVEIODKKQSAJ-UHFFFAOYSA-N 344.463 0.972 70 20 ECID NC(=O)[C@H]1CCCCN1C(=O)CCn1cnc2ccccc2c1=O 159639622 HDCCAMSNYCQIKQ-CQSZACIVSA-N 328.372 0.653 70 20 ECID O=S(=O)(CC1CCOCC1)N1CCC(Cn2ccnn2)CC1 159464064 ZAODNLJTYBXUDE-UHFFFAOYSA-N 328.438 0.747 70 20 ECID C[C@@H](NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ncccn1 1133980787 BCTZQGDSOYAPOK-SECBINFHSA-N 341.368 0.544 70 20 ECID O=C(N[C@H]1C[C@H](NCCO)C12CCC2)c1cc(S(=O)(=O)F)c[nH]1 1078728193 DVJFZIXSXOQXBD-RYUDHWBXSA-N 345.396 0.296 70 20 ECID CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337329231 PQVROPHBKSLGFK-OLZOCXBDSA-N 342.392 0.918 70 20 ECID C[C@@H]1CN([C@@H]2CCCN(c3ccccc3F)C2=O)C[C@@H](C(N)=O)O1 161235561 OBMNJYXVAJSPLI-DFBGVHRSSA-N 335.379 0.896 70 20 ECID O=S(=O)(NCC1CCN(CCO)CC1)c1cccc(F)c1F 161393595 ZJSHTHVZKXVYFP-UHFFFAOYSA-N 334.388 0.947 70 20 ECID CC(C)n1nccc1NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 160199700 PXIMBKVHBJFFGN-LLVKDONJSA-N 329.426 0.867 70 20 ECID CC(=O)NC[C@H]1CCCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 159733775 SDTFWMOIKQYQSX-GDBMZVCRSA-N 333.436 0.764 70 20 ECID C[C@H](N)[C@@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)CCO1 852740335 BJOLAXKCMMSYCC-BQBZGAKWSA-N 342.286 0.493 70 20 ECID CCC(=O)N1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 944776868 MWOWFJXYMMXHHY-SECBINFHSA-N 347.368 0.040 70 20 ECID C[C@H](O)CN1CC[C@@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046627804 ITTVLLHQDMGJOM-TVQRCGJNSA-N 333.385 0.248 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H](C)CS(C)(=O)=O 1340344259 BLGMPNDCAIPYFN-VIFPVBQESA-N 337.394 0.816 70 20 ECID O=C(O)c1cccc(N2CC(=O)N(CCS(=O)(=O)F)C2=O)c1 1602443786 YBOXZYSKQNDFMV-UHFFFAOYSA-N 330.293 0.453 70 20 ECID O=S(=O)(N[C@@H](CO)Cc1c[nH]c2ccccc12)N1CCOCC1 161262659 ZEBMFJKTZCVCOV-CYBMUJFWSA-N 339.417 0.238 70 20 ECID O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)N1CCOCC1 161302287 KJICBERHSDIMDZ-UHFFFAOYSA-N 343.796 0.910 70 20 ECID COc1cncc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n1 460098144 VHIKPALFDZYSCC-UHFFFAOYSA-N 347.349 0.944 70 20 ECID O=C1CCN(CC(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)C(=O)N1 857674899 UPKKTYYALTXIEK-UHFFFAOYSA-N 347.299 0.364 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCN(CCO)C1 1033951121 BABALSNUSQDCNP-SNVBAGLBSA-N 333.385 0.202 70 20 ECID C=CCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958413384 OWDHJUSIYQFVSS-GXFFZTMASA-N 345.396 0.272 70 20 ECID O=C(NCCCNC[C@@H]1CCCCO1)c1cc(S(=O)(=O)F)c[nH]1 1166878923 GGSPBBWVPSJBLD-NSHDSACASA-N 347.412 0.952 70 20 ECID O=C(O)C[C@@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCOC1 1601931418 AZOXVSVVVKMKSO-ZDUSSCGKSA-N 331.321 0.708 70 20 ECID CN(C)C(=O)c1ccnc(NC(=O)Cn2nc3ccccn3c2=O)c1 161044212 XVBXGFMECRRRLA-UHFFFAOYSA-N 340.343 0.232 70 20 ECID N[C@@H]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2)C1 161163079 VPDQMPDRZICHFL-CHWSQXEVSA-N 325.434 0.741 70 20 ECID Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC[C@@H]2CN)no1 160380429 ZHGUYNILLUUNFG-GHMZBOCLSA-N 326.422 0.993 70 20 ECID C[C@H](CC(=O)NCC1CCN(CCO)CC1)NC(=O)C1CCCC1 160703408 GRMZFARVEABBQV-CQSZACIVSA-N 339.480 0.892 70 20 ECID CC(=O)NCCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 160912694 KIGGSVFCDOZGHJ-ZDUSSCGKSA-N 338.795 0.881 70 20 ECID O=S(=O)(NC[C@@H](O)COc1ccc(F)cc1)c1cccnc1 159985844 UEMKSJYCDPNJDW-GFCCVEGCSA-N 326.349 0.939 70 20 ECID Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C 161102248 IAOQREPAWVCYBO-FZMZJTMJSA-N 331.420 0.718 70 20 ECID Cc1ccc(CN2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)nc1 161106812 LUOPVHVFQVJJPF-INIZCTEOSA-N 332.448 0.755 70 20 ECID CN[C@@H]1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)C1 160605187 MAQULZDGMSBAHP-SNVBAGLBSA-N 338.458 0.810 70 20 ECID Cc1conc1NC(=O)C(=O)NCC(=O)N1CCc2ccccc21 160958474 PDLVWOQYVFRDOQ-UHFFFAOYSA-N 328.328 0.627 70 20 ECID CC(C)CN(CC(N)=O)C(=O)C1CCN(C(=O)N2CCCC2)CC1 159713606 NRWOPMVIGORKLU-UHFFFAOYSA-N 338.452 0.884 70 20 ECID COCCNC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1752806680 PYWDWMFEDJLSEL-LLVKDONJSA-N 347.412 0.761 70 20 ECID CCNCC1CCN(C(=O)CN2C(=O)NC(CC)(CC)C2=O)CC1 161114038 LQNAUNQIWZKXTC-UHFFFAOYSA-N 338.452 0.945 70 20 ECID C[C@]1(O)CCCN(C(=O)NCCN2CCN(c3ncccn3)CC2)C1 160651095 FULODAMIHPGBPE-KRWDZBQOSA-N 348.451 0.155 70 20 ECID CC(C)(C)N1C[C@H](NC(=O)NCCN2C(=O)CSC2=O)CC1=O 217286167 YFLMUUWGYBXVHD-SECBINFHSA-N 342.421 0.380 70 20 ECID N#CCN1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1024652943 YWEXGJFTSXFRAT-SNVBAGLBSA-N 328.369 0.781 70 20 ECID C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942022981 ZWZBAJLQTMXIBS-FXPVBKGRSA-N 343.380 0.660 70 20 ECID C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355378 NAWGQUWSCIXWHB-QMMMGPOBSA-N 342.352 0.115 70 20 ECID CCO[C@H]1C[C@@](CO)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1(C)C 1123649507 SJXNMBFBACINPW-FZMZJTMJSA-N 348.396 0.969 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2CC[C@H]1CN2CCF 971826761 NAHBUNREYYFIHV-ZJUUUORDSA-N 333.360 0.931 70 20 ECID COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263760581 HEEZJHATVRFWRU-GZMMTYOYSA-N 348.352 0.466 70 20 ECID CN1CCC(N(CCO)C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1347292638 WFMUFHHFVDSNEM-UHFFFAOYSA-N 333.385 0.202 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(CC3CC3)CC1)CC2 160585862 GPWREMVMHWGRDS-AWEZNQCLSA-N 348.451 0.477 70 20 ECID NC1(CNC(=O)CN2CCN(c3ccccn3)CC2)CCCCC1 159682562 MKRBJNAEFXVQCX-UHFFFAOYSA-N 331.464 0.981 70 20 ECID NC(=O)c1ccc(/C=C/C(=O)NC[C@@H](O)CN2CCCCC2)cc1 159926583 NLOBHUKNBSZETM-YXMGTMDOSA-N 331.416 0.762 70 20 ECID CC#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1017958397 GNSYFYIXMFXSJW-TXEJJXNPSA-N 339.392 0.985 70 20 ECID O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(S(=O)(=O)F)c[nH]1 1339473108 ZYFSQZZZCYRSMR-UHFFFAOYSA-N 336.308 0.901 70 20 ECID C[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)[C@H]1CN(C)CCO1 1340086954 DLZAZSFNKNTQAG-ZWNOBZJWSA-N 330.381 0.794 70 20 ECID COCCN(CCC(=O)O)C(=O)c1cccc(S(=O)(=O)F)c1 1599236266 GTCVMHZNCKNYCS-UHFFFAOYSA-N 333.337 0.908 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCOC(C)(C)C1)CC2 159802624 ZVTZYVGABFVUBF-RYUDHWBXSA-N 337.424 0.996 70 20 ECID CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 962562452 ZIOFAODHWVVIRC-CHWSQXEVSA-N 343.380 0.898 70 20 ECID N#Cc1c[nH]ccc1=NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1094126215 DIEADPWSQGCJFG-UHFFFAOYSA-N 337.336 0.203 70 20 ECID NS(=O)(=O)c1cc(C(=O)NCCCN2CCCCCC2)co1 161090904 NBAQEWVJDCYTHY-UHFFFAOYSA-N 329.422 0.923 70 20 ECID O=C(CCc1ccc(F)cc1F)NCCN1CCS(=O)(=O)CC1 161120972 XOIIWPXXDZJDGV-UHFFFAOYSA-N 346.399 0.744 70 20 ECID C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)C[C@@H]1CCC[C@@H]1O 159609474 GZBFTUHPXXKZNU-PMPSAXMXSA-N 347.463 0.607 70 20 ECID C[C@H](CNC(=O)NCC1(N(C)C)CCOCC1)CN1CCOCC1 159957940 CARZHZZHDZCPQU-OAHLLOKOSA-N 342.484 0.365 70 20 ECID O=C(N[C@H]1C[C@H](NCc2ccon2)C1)c1cc(S(=O)(=O)F)c[nH]1 1020596447 RYVGOYBROVKMMD-MGCOHNPYSA-N 342.352 0.712 70 20 ECID CC(C)(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@]1(O)CCCOC1 1348816925 HUEMMTSCKLUBFW-AWEZNQCLSA-N 348.396 0.970 70 20 ECID CCc1cc(O)nc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 160567209 AJQWSOIHSLWDFK-CYBMUJFWSA-N 340.449 0.049 70 20 ECID C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCc1cnn(C)c1)C2=O 160899204 ORHLOWTZHMOAMI-VXGBXAGGSA-N 347.419 0.783 70 20 ECID CCN(CC)CC(=O)N1CCN([C@@H](C(=O)OC)c2cccnc2)CC1 159839161 SISJJKZEAVBSJC-QGZVFWFLSA-N 348.447 0.782 70 20 ECID CCN1CCCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 159840154 VXOVLENQDHPHPE-UHFFFAOYSA-N 346.497 0.443 70 20 ECID O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccc(O)nn2)cc1 460087790 AXEKLFVQQHELEN-UHFFFAOYSA-N 333.322 0.641 70 20 ECID C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 942859962 QBWCJCGDGIQBEQ-MWLCHTKSSA-N 328.369 0.637 70 20 ECID O=C1CCCN1C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1263854766 OZCNMUMHUPKRHN-SNVBAGLBSA-N 343.380 0.757 70 20 ECID NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cccnc2N2CCCCC2)O1 161214013 BHUSUNQRSUQYPH-JSGCOSHPSA-N 332.404 0.835 70 20 ECID O=C(CNS(=O)(=O)c1cccs1)N1CCOC[C@H]1C1CC1 161253279 QFMBJFWHBRBQNK-NSHDSACASA-N 330.431 0.664 70 20 ECID CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CCCCO2)cc1 161255081 HPFQUIWBAOTEGR-AWEZNQCLSA-N 326.418 0.921 70 20 ECID Cc1cc(F)cc(S(=O)(=O)N(CCOCCO)CCN(C)C)c1 161302138 CZHXKQWLBJMRRH-UHFFFAOYSA-N 348.440 0.695 70 20 ECID CCCn1c(C)nnc1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 161400173 JQOLUKNAIRKCOJ-HNNXBMFYSA-N 334.468 0.735 70 20 ECID CC(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)C)C2=O)n1 160059776 JQUOMNSLQBKXCE-ZDUSSCGKSA-N 349.435 0.993 70 20 ECID O=S(=O)(N[C@H]1CC[C@@H](CO)CC1)c1cnn([C@@H]2CCOC2)c1 161355152 IIXCIBUQIIKCGE-JHJVBQTASA-N 329.422 0.674 70 20 ECID CC(=O)c1ccc(S(=O)(=O)N2CCCS(=O)(=O)CC2)cc1 217748095 LKSJTDTYFJXKDN-UHFFFAOYSA-N 331.415 0.698 70 20 ECID CC[C@@H](F)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1012029449 CLNBEQNZUVJUEX-SNVBAGLBSA-N 349.359 0.705 70 20 ECID CCN(C(C)=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942612704 BAOQBPYXSDOQTN-SNVBAGLBSA-N 331.369 0.756 70 20 ECID C[C@H](O)CN1CC[C@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046627807 ITTVLLHQDMGJOM-ZANVPECISA-N 333.385 0.248 70 20 ECID CC[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCO 1087728575 DWKLCPKKBKBYMB-CMPLNLGQSA-N 333.385 0.248 70 20 ECID C[C@H]1C[C@H]1CC(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999957312 WKVCIQPCMSJUSP-IUCAKERBSA-N 343.380 0.660 70 20 ECID CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)F)c1 1336948867 BTOOOVKTFJSEJV-RYUDHWBXSA-N 328.365 0.989 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](CCO)C(C)C)CC2 160614132 ZBVSHRSKBXYMSY-NWDGAFQWSA-N 325.413 0.446 70 20 ECID CC[C@@H](F)C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004490247 STFDNZNWTTXMQW-SNVBAGLBSA-N 349.359 0.609 70 20 ECID CC(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 945530484 OVOYLNFIRVDATA-LDYMZIIASA-N 331.369 0.660 70 20 ECID O=C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]2CCCC[C@H]2N1 1123650179 YUDHXLUJHXMXPB-MWLCHTKSSA-N 329.353 0.556 70 20 ECID CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 161032279 NXBPEWLXWMCZRZ-CHWSQXEVSA-N 337.424 0.950 70 20 ECID CC(C)(C)c1nc(CCNC(=O)c2cn(CC(N)=O)nn2)cs1 160778567 DXCWXXXIOTWUAL-UHFFFAOYSA-N 336.421 0.490 70 20 ECID CCOCCS(=O)(=O)N1CCC(c2ccnn2CCO)CC1 160802202 ZFBWCHVMFJXFDV-UHFFFAOYSA-N 331.438 0.421 70 20 ECID O=C(OCCN1C(=O)CNC1=O)c1ccc(S(=O)(=O)F)cc1 490536404 LDHRIJWPUROAFS-UHFFFAOYSA-N 330.293 0.053 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 955455101 FJUQCIJAWRWXFJ-WCBMZHEXSA-N 331.369 0.802 70 20 ECID NC(=O)C[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1 1121122322 DYKCUIKRDJHXAB-LLVKDONJSA-N 328.365 0.611 70 20 ECID CC(C)=CC(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952162745 GUICAISBGQTDSQ-JTQLQIEISA-N 343.380 0.970 70 20 ECID Cc1cccnc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133976280 KFAIDQAFMOYSIN-UHFFFAOYSA-N 340.380 0.896 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H](NCCCO)C1 1209680325 XTCMSCRWSXHNSS-SNVBAGLBSA-N 333.385 0.250 70 20 ECID C[C@H](O)CN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C(C)(C)C1 975044478 AZNHTWRGDVRMHZ-JOYOIKCWSA-N 347.412 0.494 70 20 ECID O=C(N[C@H]1CCc2ncnn2C1)N1CCO[C@H](c2nccs2)C1 161123032 DBVOYVZDYFIMHY-QWRGUYRKSA-N 334.405 0.833 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 161341005 QOXQNARCCNXRBN-CVEARBPZSA-N 334.416 0.734 70 20 ECID CCCNC(=O)CN1CCC(NC(=O)c2nc(C)c(C)[nH]c2=O)CC1 160010552 DTMVFIQGFJGUFA-UHFFFAOYSA-N 349.435 0.107 70 20 ECID Cc1cc(C)n(CCCNC(=O)NC[C@H]2CCCS2(=O)=O)n1 160126064 HVWRQKDKKOBYCV-CYBMUJFWSA-N 328.438 0.766 70 20 ECID COCC(=O)N(C)CC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 159769648 IESRCIQSSMMECN-ZDUSSCGKSA-N 337.395 0.873 70 20 ECID Cn1ccc(CN2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)n1 1030966014 GEWKSXLDWHZRDK-UHFFFAOYSA-N 341.368 0.021 70 20 ECID O=C(NC1CN(Cc2cnns2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030972101 LPUWMLOKVRNVPN-UHFFFAOYSA-N 345.381 0.139 70 20 ECID CCO[C@H]1C[C@@](O)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1(C)C 1519746392 VPOYZWFLIOPCGN-SMDDNHRTSA-N 348.396 0.969 70 20 ECID O=C(NCCCN1CCN(c2ncccn2)CC1)c1cccc(F)n1 161330751 JRQDPFBMRXQWJB-UHFFFAOYSA-N 344.394 0.953 70 20 ECID CCCc1cc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)[nH]n1 160442878 HQKNWKNEFYNCSO-ZYHUDNBSSA-N 328.438 0.810 70 20 ECID CC[C@H]1CCC[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 159704820 RWVLZKFZVOIRKH-NTZNESFSSA-N 328.438 0.782 70 20 ECID COC(=O)[C@H](C)c1c(C)nn(Cc2nc(N)nc(N(C)C)n2)c1C 159361480 FDBUTFGPFCOBAL-MRVPVSSYSA-N 333.396 0.658 70 20 ECID CN(CC(=O)NCC(C)(C)N)S(=O)(=O)c1ccc(Cl)s1 159986722 NZOAHRHRUPTWTK-UHFFFAOYSA-N 339.870 0.876 70 20 ECID COC(=O)[C@@H](O)CNC(=O)[C@H](C)Oc1ccc(Br)cc1 217680999 KJSQLPSTSOOZRF-KWQFWETISA-N 346.177 0.867 70 20 ECID N#CCN[C@@H]1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 1026359599 FDCBLMWCRDOTGO-MVWJERBFSA-N 340.380 0.637 70 20 ECID C[C@@H]1CC[C@H](CN2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)O1 1030972138 NPLMBNVEKDPLAB-MWLCHTKSSA-N 345.396 0.654 70 20 ECID C/C=C(/C)C(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164060 KYQFOEOJFDCUON-BNFOFFDWSA-N 343.380 0.970 70 20 ECID CC(C)(CN1CCOCC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1337493013 ZGIYJKNVHJEHIQ-UHFFFAOYSA-N 333.385 0.514 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 1355010126 NUVJRXRMWQRNFI-BXKDBHETSA-N 349.405 0.959 70 20 ECID CC(=O)NCCNC(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1 160009601 FMBRPYANSKPHLI-UHFFFAOYSA-N 343.387 0.680 70 20 ECID CC(=O)N1C[C@H]2C[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]1C2 958247733 SAVCATBTPQACRX-GARJFASQSA-N 343.380 0.802 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)NCCS(=O)(=O)C1CC1 1338947221 DJHVWUIVLDTCLP-UHFFFAOYSA-N 349.405 0.960 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H](C)CS(C)(=O)=O 1527566579 VRMMZHSHIWUBGQ-MRVPVSSYSA-N 340.398 0.568 70 20 ECID C[S@](=O)c1ccc(NC(=O)NCCNC(=O)c2ccn[nH]2)cc1 161134966 MGQHPTGRWCPUOJ-HSZRJFAPSA-N 335.389 0.699 70 20 ECID CN(C)C[C@](C)(O)CNS(=O)(=O)c1cc(F)c(F)cc1F 161444216 JIZCCFWLDNVUGR-GFCCVEGCSA-N 326.340 0.695 70 20 ECID CCCNC(=O)NC(=O)CN1CCC([C@H](O)C(F)(F)F)CC1 161491350 LPJLCPNQJWSPTQ-NSHDSACASA-N 325.331 0.857 70 20 ECID CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NCCn2cccc2)cc1 160169605 BBVNEPHQZVPZGU-UHFFFAOYSA-N 342.399 0.874 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)co1 160342766 XCGWTLUDVHPLGO-PWSUYJOCSA-N 328.390 0.829 70 20 ECID O=C(N[C@H]1CCN(C(=O)CC2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 938844815 QQMLRRQNFXQVRZ-JTQLQIEISA-N 343.380 0.804 70 20 ECID C#CCCN1C[C@H]2[C@H](CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978729707 ZFFPLPBZMGJLQF-XYYAHUGASA-N 339.392 0.604 70 20 ECID O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1cccc(S(=O)(=O)F)c1 1517957182 PVPDMMLEIGFYQC-JTQLQIEISA-N 349.405 0.899 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)cc1 161028463 KOFFFKKWHPUTPJ-ZWNOBZJWSA-N 328.796 0.972 70 20 ECID Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[C@@H](N)C2)cc1C 160268435 LXBVZESOIQMQOR-CYBMUJFWSA-N 325.434 0.484 70 20 ECID C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085819647 DYDAKWCHICHPCY-NSHDSACASA-N 327.381 0.843 70 20 ECID COC[C@@H](O)CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 161201373 KICKZXZEMVLYPF-CJNGLKHVSA-N 336.436 0.914 70 20 ECID CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]2CN)c1 160281234 WGTKBBULGBEEBI-SNVBAGLBSA-N 329.397 0.687 70 20 ECID O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCNC1 160434947 XVETTZSQCABFRA-JOYOIKCWSA-N 326.780 0.870 70 20 ECID CN1C[C@H](C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1=O 160791269 ZFVOGKAJEAZDEW-SNVBAGLBSA-N 328.365 0.787 70 20 ECID CN([C@H](CN)C1CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 159930735 SBWILHVYNPWXFJ-CYBMUJFWSA-N 332.447 0.448 70 20 ECID Cn1cc([C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CCN2)cn1 1352376292 YAANWNAMVGGZOI-GFCCVEGCSA-N 341.368 0.193 70 20 ECID CO[C@H](C)CN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1215571500 OXCUXDFTDOPHDF-GIPNMCIBSA-N 347.412 0.758 70 20 ECID CC1(C(=O)NC2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1 993644816 HZRXZIVCJZFYEO-UHFFFAOYSA-N 329.353 0.414 70 20 ECID CNC(=O)[C@@]1(C)CCN(C(=O)c2cccc(S(=O)(=O)F)c2)C1 1354883994 FDAIEQQPXZDYEV-AWEZNQCLSA-N 328.365 0.943 70 20 ECID Cn1cc(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)cc1C(N)=O 161075763 XXGGUPAUDBPXJD-LBPRGKRZSA-N 337.401 0.006 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)CC(C)C)ccc1F 161232497 SPBYTGGVKWHZEI-LLVKDONJSA-N 332.397 0.871 70 20 ECID CN(C[C@@H](O)C1CC1)S(=O)(=O)c1cnn(C2CCOCC2)c1 161437520 ISWBELQBHGFHGH-CQSZACIVSA-N 329.422 0.626 70 20 ECID CCO[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1 160632289 GMTNIBWRCWYWDS-CHWSQXEVSA-N 337.424 0.950 70 20 ECID CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](C#N)C1 460088964 CXCIKXOZNSBIKD-JTQLQIEISA-N 347.393 0.173 70 20 ECID CCO[C@H]1C[C@](CO)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1(C)C 1123649509 SJXNMBFBACINPW-SMDDNHRTSA-N 348.396 0.969 70 20 ECID CC#CCN1C[C@H]2[C@H](CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978719521 MJJVTRNMZMZQDY-XYYAHUGASA-N 339.392 0.604 70 20 ECID COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(N2CCCC2)nc1 159807567 MPHVIRYDPXQOSN-AWEZNQCLSA-N 332.404 0.545 70 20 ECID Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)c[nH]c1=O 159410457 ITPFTLVTBAZOJB-NSHDSACASA-N 335.385 0.989 70 20 ECID O=c1[nH]c2ccc(S(=O)(=O)NCC3(O)CCCCC3)cc2[nH]1 159813117 CCNKACIIXZEJQJ-UHFFFAOYSA-N 325.390 0.830 70 20 ECID CC1CCN(CCCNC(=O)NC[C@H]2CCCS2(=O)=O)CC1 159869935 PHSXZSDMEJWJMA-CQSZACIVSA-N 331.482 0.985 70 20 ECID C[C@H]1C[C@H]1C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004488122 GFKOBVKTWDVSPX-GZMMTYOYSA-N 343.380 0.517 70 20 ECID Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)F)cc2)cn1 865207429 JCBRKESTSXGCGR-UHFFFAOYSA-N 326.309 0.153 70 20 ECID O=C(NC[C@H]1CN(CCF)CCO1)c1cc(S(=O)(=O)F)c[nH]1 1035512670 XTLVKILPIYYYDG-VIFPVBQESA-N 337.348 0.073 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N(CCO)Cc1cccnc1 1351578354 LRJVJDSQGHSTNW-UHFFFAOYSA-N 327.337 0.703 70 20 ECID O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC(O)C1 161467561 AKADFOXKPFMZHY-UHFFFAOYSA-N 338.429 0.607 70 20 ECID COCCN1C[C@@H](C(=O)Nc2nnc(-c3ccc(C)o3)[nH]2)CC1=O 160283453 PAMZDVZDCWHJIW-JTQLQIEISA-N 333.348 0.807 70 20 ECID C[C@@H](CO)N(C)C(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1 160550263 CFXOLOHCZWWJTP-DJTWPOEFSA-N 338.429 0.980 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N[C@H](CO)c1ccccc1)CC2 160711580 YNBCPVQIUJWPMT-ZIAGYGMSSA-N 345.403 0.772 70 20 ECID CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1C 159545096 UCYVSAXVAUOCOR-LBPRGKRZSA-N 341.433 0.845 70 20 ECID CCS(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 159364641 RMBKKFWKFDNZJZ-UHFFFAOYSA-N 332.447 0.562 70 20 ECID C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H](c2ccccc2)O1 216869222 NBRKUJPAXZSRCU-TZMCWYRMSA-N 331.372 0.917 70 20 ECID O=C(NCC1CC(NCCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1100684296 BLWPQQPVGOCKRS-UHFFFAOYSA-N 333.385 0.153 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC2(CCN(CCF)C2)C1 1072990265 VNRCCMXEQYWZJE-UHFFFAOYSA-N 333.360 0.790 70 20 ECID CN(C)c1cc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)ccn1 160469229 VYKLGFADMMGGMA-CHWSQXEVSA-N 340.449 0.595 70 20 ECID CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccnc(-n3cccn3)c2)C1 159709453 OKRPGRHMHMIWNZ-GFCCVEGCSA-N 349.416 0.279 70 20 ECID CCC(=O)N1CC[C@H](NC(=O)NCc2c(CC)c(CC)n[nH]c2=O)C1 159972475 DSCQWVLIEANEOB-NSHDSACASA-N 349.435 0.705 70 20 ECID CO[C@@H](C)CN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033430171 PWIHLLFKQVIPQU-WDEREUQCSA-N 347.412 0.854 70 20 ECID N#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1045851561 HOSATUXOTHAIJB-QWRGUYRKSA-N 340.380 0.875 70 20 ECID O=C(NCCNc1ncc(F)cn1)c1cc(S(=O)(=O)F)c[nH]1 1094126145 AKVZFCBJIJQRDW-UHFFFAOYSA-N 331.304 0.444 70 20 ECID CC[C@H](CN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)OC 1185730442 FJYYKKDUKYGOPF-GHMZBOCLSA-N 347.412 0.902 70 20 ECID CN1CCC(CCO)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1351577877 HUHGFUQBUIYKSE-UHFFFAOYSA-N 333.385 0.250 70 20 ECID Cn1ccnc1CS(=O)(=O)CC(=O)NCCOc1ccccc1 161195709 VIIASRQYASRYTM-UHFFFAOYSA-N 337.401 0.530 70 20 ECID CCOC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)CC1 217287959 MVBYBCAWNJEDQC-CYBMUJFWSA-N 325.409 0.980 70 20 ECID CN(C(=O)c1ccc(S(=O)(=O)F)cc1)[C@@H]1CCS(=O)(=O)C1 864238427 JUTRAOWJKBNXGA-SNVBAGLBSA-N 335.378 0.604 70 20 ECID COCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 942860313 RJFFKUNUNZOEJB-JQWIXIFHSA-N 347.412 0.760 70 20 ECID CC(=O)NC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 959595921 CZAUSZYDPIWQAO-SCZZXKLOSA-N 331.369 0.517 70 20 ECID CCC(=O)N1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 955833794 AKRNJJUOVXPOKY-VIFPVBQESA-N 331.369 0.804 70 20 ECID COCCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C 1071827804 DLZQTVJRZPCRRT-MNOVXSKESA-N 347.412 0.902 70 20 ECID COCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1096026187 OUJPQOVXXYOBGD-CDMKHQONSA-N 345.396 0.654 70 20 ECID CN(C)C(=O)c1ccc(NC(=O)C(=O)NCCn2cccc2)cc1 160144686 OBSXXUUETIYELC-UHFFFAOYSA-N 328.372 0.945 70 20 ECID C[C@@H](CC(=O)NCC1CCN(CCO)CC1)NC(=O)C1CCCC1 160703261 GRMZFARVEABBQV-AWEZNQCLSA-N 339.480 0.892 70 20 ECID CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3CCN(CC4CC4)C3)C2)CC1 160733625 KYQWRXGLTHODFZ-ZWKOTPCHSA-N 349.523 0.892 70 20 ECID COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(N2CCCC2)nc1 159807472 MPHVIRYDPXQOSN-CQSZACIVSA-N 332.404 0.545 70 20 ECID CCN(CC)CC(=O)N1CCN([C@H](C(=O)OC)c2cccnc2)CC1 159839027 SISJJKZEAVBSJC-KRWDZBQOSA-N 348.447 0.782 70 20 ECID O=C(c1cc(S(=O)(=O)N2CCC[C@H]2CO)c[nH]1)N1CCCC1 159854769 CXGCHRSHAATHBG-NSHDSACASA-N 327.406 0.396 70 20 ECID C[C@H](O)CN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033430545 WHXUURPTYGUZJC-UWVGGRQHSA-N 333.385 0.200 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2C[C@@H](NCCO)C[C@H]1C2 1095004890 MXSIRGPVMAHNCQ-HBNTYKKESA-N 345.396 0.248 70 20 ECID CCN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Cc1ccon1 1753088947 XIIZGQIYYYIBOB-UHFFFAOYSA-N 344.368 0.913 70 20 ECID CNS(=O)(=O)c1cc(C(=O)NC2CCN(C(C)C)CC2)co1 160241309 SRGXJAKEDKHPQP-UHFFFAOYSA-N 329.422 0.790 70 20 ECID CC(=O)c1cc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)n(C)c1 160718895 MWNVICLPELVHPE-YPMHNXCESA-N 341.433 0.675 70 20 ECID CC(=O)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C 1018642367 YWJRENUHVRLXFK-MWLCHTKSSA-N 345.396 0.907 70 20 ECID NC[C@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)CCO1 852745986 BVIONWIWTJGHDQ-LURJTMIESA-N 328.259 0.105 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1NCC#N 1036195019 QWASIBAPPTYHBG-GXSJLCMTSA-N 328.369 0.637 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]2[C@H](CCN2CCO)C1 1036824045 QJXJJZOCWTXCEO-MFKMUULPSA-N 345.396 0.202 70 20 ECID COCCCN[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209679987 VOKBCLDHWORUNO-NSHDSACASA-N 347.412 0.904 70 20 ECID CC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@H]2C1 979548093 HHMCARATSBJWTD-WCQGTBRESA-N 343.380 0.660 70 20 ECID C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)CN1CCOCC1 160383796 YHOQNYWSACRCNN-CYBMUJFWSA-N 340.445 0.868 70 20 ECID CC(C)CN1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 160996718 HGGMNUOTZCQUON-HUUCEWRRSA-N 337.468 0.916 70 20 ECID COC(=O)[C@@H]1CCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1887514046 BTWNMXYDDSLGFQ-JTQLQIEISA-N 332.309 0.452 70 20 ECID Cc1cnc(CN2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)o1 1030965960 CMKXTRUQBWRLCR-UHFFFAOYSA-N 342.352 0.584 70 20 ECID N#C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1C1CC1 1338976992 YQTPERJZFHSUPX-SNVBAGLBSA-N 326.353 0.485 70 20 ECID CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCC[C@H]3O)cnc21 161198394 RSJPKTKWGWYNMJ-VXGBXAGGSA-N 332.360 0.138 70 20 ECID COCc1nc2n(n1)C[C@@H](Nc1nnnn1-c1ccccc1)CC2 161343717 SDVZMRBRXNYNIO-NSHDSACASA-N 326.364 0.827 70 20 ECID CN(C[C@@H]1CCC[C@H]1O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 161385573 QJUHENFLPJUBCW-SOUVJXGZSA-N 340.468 0.376 70 20 ECID CN(C[C@H](O)C1CC1)S(=O)(=O)c1cnn(C2CCOCC2)c1 161437395 ISWBELQBHGFHGH-AWEZNQCLSA-N 329.422 0.626 70 20 ECID CN(C)C(=O)CCCC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 160506245 RLNGZZIMQBDDLW-DLBZAZTESA-N 347.459 0.997 70 20 ECID C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(N2CCN(C)CC2)nc1 159623095 FCKLSMFBEHRZEP-UKRRQHHQSA-N 332.452 0.314 70 20 ECID C[C@@H](CC(=O)N1C[C@H]2[C@@H](C1)OCCN2C)NC(=O)c1ccccc1 159664395 RBAHXOCXWKDQEW-CWRNSKLLSA-N 331.416 0.736 70 20 ECID CC(C)CN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1077690881 CRMINNBWAGHYRB-VXGBXAGGSA-N 333.385 0.104 70 20 ECID COC1(c2nccn2C)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1349047457 NOKIVOWTXUTCOF-UHFFFAOYSA-N 342.352 0.404 70 20 ECID CN(C)C(=O)Cn1cc(C(=O)Nc2cccc(OCCF)c2)nn1 160559756 OFHOPUYHPMFFQR-UHFFFAOYSA-N 335.339 0.967 70 20 ECID C[C@H](CCO)CNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 160970483 NIBLLJVKVJBJOD-QMTHXVAHSA-N 336.367 0.380 70 20 ECID C[C@H](C(=O)NCC(=O)NCCN1CCOCC1)c1cccs1 159822860 LGMWGCRDXUTHJW-LBPRGKRZSA-N 325.434 0.416 70 20 ECID COCC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 943532270 FCVFUWWMPHYMFZ-UHFFFAOYSA-N 347.368 0.040 70 20 ECID COCCN[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209678687 MGWLPESRTOWSOD-SNVBAGLBSA-N 333.385 0.514 70 20 ECID C=CCNC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1201421541 VXNXONKQSXUBBM-NSHDSACASA-N 345.396 0.680 70 20 ECID CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccnc1-c1ccccc1 160050136 WNXRTXHWASNVDZ-AWEZNQCLSA-N 342.399 0.726 70 20 ECID CCN(C)CCNC(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 160405568 QZTRDKMOABNOOO-UHFFFAOYSA-N 333.392 0.900 70 20 ECID CN[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1 160744873 SBNSAWROXMIHLC-CQSZACIVSA-N 337.445 0.809 70 20 ECID C[C@@H]1CCCN(C(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 159403759 PIDADDCRFMONFH-GDBMZVCRSA-N 336.480 0.659 70 20 ECID C#CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 947727565 YZVJZUSSCDKPIU-QWRGUYRKSA-N 327.381 0.889 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N1CCO[C@@H]2COCC[C@@H]21 1121161457 TYJGWBCOYUPSGR-UONOGXRCSA-N 343.376 0.904 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC(Oc2ccncc2)C1 1123616794 QFHNOKTZOHOVDL-UHFFFAOYSA-N 325.321 0.971 70 20 ECID N#CCN1CC[C@]2(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CCC[C@@H]12 992188254 KXNAIFJLANMCFY-TZMCWYRMSA-N 340.380 0.923 70 20 ECID COC[C@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085820185 SEMWSXLXTOYTMO-WDEREUQCSA-N 347.412 0.854 70 20 ECID CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346641956 ORNZUDULOPJWPV-ZDUSSCGKSA-N 331.369 0.804 70 20 ECID C[C@H](C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)N1CCc2ccccc2C1 161080888 KLUSUJSCMBCXHF-DAXOMENPSA-N 331.416 0.582 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 161297056 XXCYGSRQPLDNQE-YGRLFVJLSA-N 328.315 0.971 70 20 ECID CCn1cnnc1[C@@H]1CCCN(CC(=O)NC(=O)NCC(C)C)C1 161330090 HUUBJPJOSFFINY-CYBMUJFWSA-N 336.440 0.959 70 20 ECID O=C1O[C@H](C(=O)NC[C@@H](O)CN2CCCCC2)Cc2ccccc21 160280698 XVLGUIHJMNTIIA-ZBFHGGJFSA-N 332.400 0.731 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@H](C(=O)NC)C2)c1CC 160411209 OUBYQFYZXLBEQS-NSHDSACASA-N 349.435 0.562 70 20 ECID NC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1 1120944619 RVWLQVYCKCRGMA-UHFFFAOYSA-N 326.309 0.097 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CC[C@@](C)(C(N)=O)C1 1338914048 VSPHXRMAKNEDIC-CQSZACIVSA-N 328.365 0.991 70 20 ECID COC(=O)c1coc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1346796928 QSBNIAXOZNIPRX-UHFFFAOYSA-N 331.281 0.378 70 20 ECID CCOCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1755949904 QGYZIUVEVPEDAH-RKDXNWHRSA-N 349.384 0.332 70 20 ECID Cc1ccc(C(=O)N2CC(O)C2)cc1S(=O)(=O)N1CCCCC1 161480281 SZWLPHMXGGGMSD-UHFFFAOYSA-N 338.429 0.986 70 20 ECID C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H](O)CN1CCCCC1 160250702 SZRFLACHBXQJEO-CHWSQXEVSA-N 339.461 0.829 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@H]3CCCN3C[C@H]1C)CC2 160686645 RQADNMXLEDHXKJ-MGPQQGTHSA-N 348.451 0.617 70 20 ECID Cc1conc1NC(=O)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 160921199 IODDBKIBOBKRAA-LBPRGKRZSA-N 328.328 0.621 70 20 ECID CC[C@@H]1CCC[C@@H]1NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 159593625 AHMRYYRGVOMGAS-NEPJUHHUSA-N 328.438 0.702 70 20 ECID CC(=O)N1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1009903354 HROQUFHCLJSKJY-SCZZXKLOSA-N 331.369 0.660 70 20 ECID COCCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008546558 JMVONDKZJBXACY-JTQLQIEISA-N 333.385 0.514 70 20 ECID CCC(=O)N[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 952051602 ZYUAIVCLVACRHK-VIFPVBQESA-N 331.369 0.804 70 20 ECID O=C(NC1[C@H]2CN(CC3CC3)C[C@H]12)c1cc(S(=O)(=O)F)c[nH]1 961789147 MHOONCLBKNKJNB-QWRGUYRKSA-N 327.381 0.743 70 20 ECID C[C@@H](C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCCCO 1135489585 VWBXRHKXJGXHQT-VHSXEESVSA-N 335.401 0.542 70 20 ECID CO[C@H](C)CN[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209679154 QRIZHXFLUQVOFO-MNOVXSKESA-N 347.412 0.902 70 20 ECID C=C(C)CN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090575450 GKNNKDFIGCUACV-YPMHNXCESA-N 345.396 0.414 70 20 ECID COC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)o1 1354886452 UGJYJBSNAPYBSR-UHFFFAOYSA-N 330.293 0.983 70 20 ECID C[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)[C@H]1CN(C)CCO1 160837286 FPUSQJAVZRSXCB-NVXWUHKLSA-N 347.463 0.628 70 20 ECID Cc1ccc(CCC(=O)NCC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cc1 159715656 KQQNNISXIAIRLQ-IAGOWNOFSA-N 345.443 0.585 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1CC 159553853 KUBLVNYVYTXLQE-SNVBAGLBSA-N 347.419 0.457 70 20 ECID CCC(=O)N1C[C@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1009539687 UOUMKVHGJWBFAS-QWRGUYRKSA-N 343.380 0.517 70 20 ECID C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N(C)c1ncccn1 1113893747 GCDDAPMLLSOQQL-SECBINFHSA-N 341.368 0.718 70 20 ECID C#CCCN[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209677486 FVFPSXVBGCTVIT-LLVKDONJSA-N 327.381 0.890 70 20 ECID CCc1nc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)no1 1133977241 ZLUGKQKGEXEZEV-UHFFFAOYSA-N 345.356 0.138 70 20 ECID NC(=O)CNCCCCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1179617620 YSOMRFPOSOAJHA-UHFFFAOYSA-N 348.400 0.038 70 20 ECID CCN1CCCN(C(=O)NC2CCN(C(=O)CCOC)CC2)CC1 160012184 CRLOUPLWCDBNPL-UHFFFAOYSA-N 340.468 0.751 70 20 ECID O=C(C[C@H]1CCCN1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 160980620 NKGRGRJKFOGZLN-HUUCEWRRSA-N 331.416 0.925 70 20 ECID C[C@@H]1CN(C)[C@H](C)C[C@H]1NCc1ccc(C(=O)NCC(N)=O)cc1 160986355 WKZBOYQIEDBHAB-XJKCOSOUSA-N 332.448 0.720 70 20 ECID CCC(=O)N1CC=C(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1017741871 AJABCUOGHINKOP-UHFFFAOYSA-N 343.380 0.971 70 20 ECID Cc1nsc(N(C)CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1100330189 HBTACFYCFLHSRR-UHFFFAOYSA-N 347.397 0.699 70 20 ECID C/C=C(\C)C(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355482 QOMFUBGARBGVDA-RUDMXATFSA-N 343.380 0.922 70 20 ECID N#CCN1CCCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1073769628 MFUONPZUOVSZOU-JTQLQIEISA-N 344.368 0.017 70 20 ECID N#CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1096026366 XIGNREYGTDUJOO-QRTLGDNMSA-N 326.353 0.532 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H](NC(=O)Cc1ccccc1)C(C)C 161497966 LZFDUIZYQLYOQC-DOTOQJQBSA-N 336.432 0.884 70 20 ECID C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC(C)(C)N 160032343 WUALJDWQUMKTNE-SECBINFHSA-N 333.841 0.860 70 20 ECID CCc1c(C(=O)NCCNC(=O)c2ccco2)[nH]c(C)c1C(N)=O 160444815 JCLDZEWSAHBGAG-UHFFFAOYSA-N 332.360 0.737 70 20 ECID CC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1006992739 HJDWETKQLUIZRY-VHSXEESVSA-N 329.353 0.508 70 20 ECID CC(C)C(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952163167 RFXYYBQRKYXPMQ-SECBINFHSA-N 331.369 0.660 70 20 ECID CCCC[C@@H](NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O 1133983108 ZZZQWYLQNYZLFL-SNVBAGLBSA-N 348.400 0.036 70 20 ECID C#CCN[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C 996309996 MBVFBZRYVIPQPS-LBPRGKRZSA-N 327.381 0.746 70 20 ECID CC1(C)CNC(=O)CN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1340728903 GBILHZQJRMUALS-UHFFFAOYSA-N 328.365 0.624 70 20 ECID O=C(O)[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1602196951 YDVASMOUEGCGLX-ONGXEEELSA-N 333.312 0.911 70 20 ECID CO[C@@H]1CNC[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1Cl 1579122119 RVQNTTDVDAVATN-GHMZBOCLSA-N 336.772 0.715 70 20 ECID O=S(=O)(Cc1ccon1)NC[C@H](O)COc1ccc(F)c(F)c1 161279220 WMNKFEVNXCXRPV-JTQLQIEISA-N 348.327 0.812 70 20 ECID COC(=O)[C@H](CC(C)C)NC(=O)CN1CCN(c2ccncc2)CC1 161369473 GNVDISFQTNJNQZ-INIZCTEOSA-N 348.447 0.908 70 20 ECID O=S(=O)(NCC1CCN(CCO)CC1)c1cc(F)cc(F)c1 161410251 UVPMYDKKPDORIF-UHFFFAOYSA-N 334.388 0.947 70 20 ECID C[C@H](CCO)CNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 160970224 NIBLLJVKVJBJOD-YGRLFVJLSA-N 336.367 0.380 70 20 ECID CC(=O)N[C@]12CCC[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1014120854 LHZVGUWBOOTDLQ-OCCSQVGLSA-N 343.380 0.946 70 20 ECID CS(=O)(=O)CCC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1 857673989 ANIHWUAOZLQNQN-UHFFFAOYSA-N 327.330 0.857 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1NCC#N 1036195027 QWASIBAPPTYHBG-MWLCHTKSSA-N 328.369 0.637 70 20 ECID CC(C)c1nnc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1C 1346321426 VUDJZMPTHVMYFV-UHFFFAOYSA-N 329.357 0.855 70 20 ECID CCOC(=O)C[C@H](C)NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C 160053196 PNPQIWGJVBBTQY-VIFPVBQESA-N 334.376 0.640 70 20 ECID Cc1cccc(NC(=O)NCC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)c1 159658365 OVVMTPACAQRTMB-GJZGRUSLSA-N 332.404 0.658 70 20 ECID Cc1nnc(S)n1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1351022136 HFZSCNXQJXHRSR-UHFFFAOYSA-N 333.370 0.292 70 20 ECID O=C(N[C@@H]1CCCCN(CCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1034404995 XKTKNIGQXGWUDV-LLVKDONJSA-N 347.412 0.640 70 20 ECID COCCCN1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 1114839425 AGYAPRICNSCIBL-QWRGUYRKSA-N 345.396 0.369 70 20 ECID O=C(Nc1ccc(-n2cncn2)nc1)c1cc(S(=O)(=O)F)c[nH]1 1348385267 UEXWABRUSFTEED-UHFFFAOYSA-N 336.308 0.901 70 20 ECID CC1(C)CN(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1351023820 SYGINDVUBPNBCF-UHFFFAOYSA-N 333.385 0.514 70 20 ECID O=C(O)Cn1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)n1 1602167038 WRGADWXOHUQKIB-UHFFFAOYSA-N 327.293 0.878 70 20 ECID O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC(O)C1 161420081 NKFXGJFCMUZMFC-UHFFFAOYSA-N 341.161 0.378 70 20 ECID CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H](C(=O)OC)C1)CC2 160056377 CTLGQSIQSUGMIC-NWDGAFQWSA-N 335.408 0.750 70 20 ECID CC(C)n1nccc1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 159535593 KPWTXWAMGTYXEH-UHFFFAOYSA-N 347.423 0.591 70 20 ECID COC(=O)c1occc1CN1CCC(N2CCC[C@H]2C(N)=O)CC1 159385348 WYQTVINHKJRUBW-AWEZNQCLSA-N 335.404 0.980 70 20 ECID C[C@@H](N)[C@@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)CCO1 852740338 BJOLAXKCMMSYCC-RQJHMYQMSA-N 342.286 0.493 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1CNCCF 1106676024 YFHBSYLZQOGROK-NXEZZACHSA-N 335.376 0.940 70 20 ECID O=C(NCCNCCOC1CCC1)c1cc(S(=O)(=O)F)c[nH]1 1133981340 NWIIALIWSPEAAR-UHFFFAOYSA-N 333.385 0.561 70 20 ECID O=C(CCc1ccc(S(=O)(=O)F)cc1)NC[C@H]1CNC(=O)C1 1338198763 ICVXTELNNCBBAO-NSHDSACASA-N 328.365 0.530 70 20 ECID COCCCNC(=O)COC(=O)c1cccc(S(=O)(=O)F)c1 1334329816 JHZUNEKGHZXCFQ-UHFFFAOYSA-N 333.337 0.654 70 20 ECID COC[C@H](O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 161044607 YGQQVCSIKHJJMU-CMPLNLGQSA-N 342.342 0.831 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@H](NC(C)=O)C2)c1CC 160323971 XLUTXNDLEXSKCG-LBPRGKRZSA-N 349.435 0.705 70 20 ECID CC[C@@H](NC(=O)CCC(=O)NCCNC(C)=O)c1c(C)noc1C 160415361 HIESVYWFDKUWIZ-CYBMUJFWSA-N 338.408 0.891 70 20 ECID O=C(COC(=O)c1ccc(S(=O)(=O)F)cc1)NC(=O)NC1CC1 838088295 RUIYLARGHDSKRT-UHFFFAOYSA-N 344.320 0.490 70 20 ECID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCCN(CCO)C1 1025534092 JVQMGDMRARLGTN-MNOVXSKESA-N 347.412 0.496 70 20 ECID C[C@H](CC(=O)NCC(C)(C)N)NC1=NS(=O)(=O)c2ccccc21 160099946 MTYQBFHUVRPEDO-SNVBAGLBSA-N 338.433 0.357 70 20 ECID CCNC(=O)CN1CCN(C(=O)c2ccnc(-n3cccn3)c2)CC1 159455790 WNZZBBCIVUHWIS-UHFFFAOYSA-N 342.403 0.161 70 20 ECID CC#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008546538 JFGBFVYFQRDQBT-NSHDSACASA-N 327.381 0.890 70 20 ECID O=C(N[C@@H]1CCN(C[C@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1015715800 GKRXODAHPNVYKP-GHMZBOCLSA-N 345.396 0.514 70 20 ECID COC(=O)Cn1ncc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1C 1349235872 XJNXLYWGTBISGE-UHFFFAOYSA-N 344.324 0.603 70 20 ECID COCCCN(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192399165 VRKUYZTUFPYBGN-NSHDSACASA-N 347.412 0.856 70 20 ECID Cc1conc1NC(=O)C(=O)NCCCNC(=O)c1cccc(F)c1 161138052 VNZVLXREXLRWEU-UHFFFAOYSA-N 348.334 0.997 70 20 ECID CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC(O)C3)cc(C(C)C)nc21 161493117 JAXFTQZGJVWUQH-UHFFFAOYSA-N 346.387 0.435 70 20 ECID CC(C)C[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 160791014 GQORHOUUDXJOTN-STQMWFEESA-N 328.434 0.877 70 20 ECID Cn1nnc2cc(C(=O)Nc3ccc(CNC(N)=O)cc3)cnc21 159695760 YEWQGHYBOMYZOH-UHFFFAOYSA-N 325.332 0.784 70 20 ECID COCCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)F)cc1 274931017 BBZDLXRZZCGJLM-UHFFFAOYSA-N 339.366 0.345 70 20 ECID CCS(=O)(=O)CCCNC(=O)c1ccc(S(=O)(=O)F)cc1 865211722 YOXHXGNEMATSGI-UHFFFAOYSA-N 337.394 0.899 70 20 ECID CN1CCC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)F)cc2)C1=O 1337502887 NWGMEIUKDSLUCH-GFCCVEGCSA-N 328.365 0.624 70 20 ECID Cc1nc2n(n1)C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1516689134 FINGHXSPKKOSGO-QMMMGPOBSA-N 327.341 0.318 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@H](O)c1ccccc1)CC2 160576486 HCRALWHULICOOJ-KBPBESRZSA-N 345.403 0.772 70 20 ECID Cc1ccc(C(=O)NCC(=O)N2C[C@H]3[C@@H](C2)OCCN3C)cc1C 159661689 TUINYUZQMWOWDY-JKSUJKDBSA-N 331.416 0.575 70 20 ECID NC(=O)c1cnn2c(C(=O)N[C@H](CCO)c3ccccc3)ccnc12 159521517 BKIXQTHWNDNEJZ-CYBMUJFWSA-N 339.355 0.682 70 20 ECID CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1003015834 QQZCVNQVCJMTRW-JTQLQIEISA-N 331.369 0.756 70 20 ECID O=C(NC1CN(Cc2ncccn2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030966528 TYOATLPZOXSJOX-UHFFFAOYSA-N 339.352 0.077 70 20 ECID CN(Cc1cn(C)nn1)C(=O)Cc1ccc(S(=O)(=O)F)cc1 1338214924 NOXSEPVMUHAMHQ-UHFFFAOYSA-N 326.353 0.674 70 20 ECID CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C(C)(C)C1 1262732270 AWONHYQFYOATKT-UHFFFAOYSA-N 331.369 0.756 70 20 ECID C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](C)C2CCOCC2)CC1 161226076 VLSPGTZINZUXNB-KGLIPLIRSA-N 337.464 0.860 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)COC[C@H]1CCOC1 160164282 VGMCHRNODSPICO-HNNXBMFYSA-N 328.453 0.856 70 20 ECID CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C1 159672875 VUKLWMTYZHXXEE-CVEARBPZSA-N 329.400 0.772 70 20 ECID Cn1cc(CN2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)cn1 1030966322 QAZURNTYIMHBET-UHFFFAOYSA-N 341.368 0.021 70 20 ECID Cn1c(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nnc1C1CC1 1519746725 ZQKSXWDCBDWRCA-UHFFFAOYSA-N 327.341 0.609 70 20 ECID Cc1nonc1CNC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1754242283 MRHNHSNDHOJNNI-SSDOTTSWSA-N 345.356 0.272 70 20 ECID CNC[C@@H]1CCCN1C(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C 161203404 WEVAGGJMYUAUOU-LBPRGKRZSA-N 331.420 0.631 70 20 ECID O=C(CN1CCN(c2ccncc2)CC1)NC(=O)NCc1ccco1 161320519 MBSIOKGZCRRICZ-UHFFFAOYSA-N 343.387 0.823 70 20 ECID CC(C)[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)N1CCN(C)CC1 160133906 WXRUSECJCOHMFU-DOTOQJQBSA-N 326.485 0.815 70 20 ECID CNC(=O)Cn1cc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)cn1 160345934 FMXGPLGWDYAABG-UHFFFAOYSA-N 341.371 0.774 70 20 ECID CN(CC(=O)NCCOc1ccc(Cl)cc1)CC(C)(CO)CO 159515108 HAXDVRUAJWXGPX-UHFFFAOYSA-N 344.839 0.758 70 20 ECID Cc1cc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c[nH]c1=O 159724032 XELBRGZGUXXMCS-UHFFFAOYSA-N 340.339 0.715 70 20 ECID CCN1CCCN(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 159924710 MHUMXKUERVLOJO-AWEZNQCLSA-N 348.451 0.571 70 20 ECID CC(C)(F)C(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938844850 SCPIDPWUFCBUBN-QMMMGPOBSA-N 349.359 0.752 70 20 ECID CC(C)N1CCO[C@](C)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1108221110 TXBZRRDUSFCCGM-CQSZACIVSA-N 347.412 0.902 70 20 ECID C[C@H]1C(=O)NCCN1C(=O)NCCc1nnc(-c2ccccc2)o1 160000919 ZLRGQOOEYWQORZ-NSHDSACASA-N 329.360 0.809 70 20 ECID CC[C@H](NC(=O)CCC(=O)NCCNC(C)=O)c1c(C)noc1C 160415240 HIESVYWFDKUWIZ-ZDUSSCGKSA-N 338.408 0.891 70 20 ECID CC(C)[C@H](CCO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 160566457 ZLMNEVBOYLPUBU-JSGCOSHPSA-N 332.404 0.848 70 20 ECID C[C@H](O)[C@H]1CCCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 160962796 MDKXHZLKUCTIKA-QWRGUYRKSA-N 330.406 0.763 70 20 ECID C#CCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 947727566 YZVJZUSSCDKPIU-WDEREUQCSA-N 327.381 0.889 70 20 ECID CCOCCCN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1113353719 PQUZOSWGJSIDLN-UHFFFAOYSA-N 347.412 0.857 70 20 ECID COC[C@](C)(CC(=O)O)NC(=O)c1cccc(S(=O)(=O)F)c1 1599149911 LSFHDQKTRGZBKU-ZDUSSCGKSA-N 333.337 0.954 70 20 ECID Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3Cc4ccccc4CN3)C2=O)cn1 161140892 LJISKTVQCSBYTO-CVEARBPZSA-N 339.399 0.356 70 20 ECID CN[C@H]1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1 160503686 DKAZLSDFZYTLKP-INIZCTEOSA-N 330.432 0.965 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1C[C@H](C)OC(C)(C)C1)CC2 160637964 VXBHZYALLGDHTR-RYUDHWBXSA-N 337.424 0.948 70 20 ECID CC[C@H](O)CCNC(=O)NCc1ccnc(N2CCN(C)CC2)c1 160956747 AMKKMUZTLMGMEY-HNNXBMFYSA-N 335.452 0.794 70 20 ECID CC(C)[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 159440306 HUMNTUZDQQCZAW-ZDUSSCGKSA-N 334.420 0.293 70 20 ECID CS[C@H](C)CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 159842007 YQTQKQMHSVFKRR-CHWSQXEVSA-N 330.498 0.980 70 20 ECID NS(=O)(=O)c1cc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cs1 159879149 LLYSESBBXUFPRE-AAEUAGOBSA-N 338.410 0.784 70 20 ECID CC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1026067469 OCKCPJFCGCRGSV-IRUJWGPZSA-N 343.380 0.802 70 20 ECID C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCO 947726845 TWTVYWYHRFCBEQ-VHSXEESVSA-N 333.385 0.248 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC2(CC1)C[C@@H](O)CCO2 1124047393 AGQOTGPTOAWACB-JTQLQIEISA-N 346.380 0.819 70 20 ECID COC(=O)c1cccc(N2CC(=O)N(CCS(=O)(=O)F)C2=O)c1 883953384 SZEHPHPSEFHRSJ-UHFFFAOYSA-N 344.320 0.541 70 20 ECID Cc1ncsc1CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133976302 LBFCFOYARWIRIL-UHFFFAOYSA-N 346.409 0.957 70 20 ECID C[C@@H](CCCCNCC(N)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1175317228 MXFNLIZUWXWABV-VIFPVBQESA-N 348.400 0.036 70 20 ECID CN(C)CCn1ccc(NC(=O)NCCCNC(=O)C2CCC2)n1 161089662 DGOCROPPZWEHCR-UHFFFAOYSA-N 336.440 0.873 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 161201442 UGYSSUKXPUARTO-HOTGVXAUSA-N 334.416 1.000 70 20 ECID Cc1nc(S(=O)(=O)N(C)CC2CCN(C[C@H](C)O)CC2)cn1C 161458613 ZTQOVCZMTOBQCV-LBPRGKRZSA-N 344.481 0.442 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1CCS[C@@H](C)C1)CC2 160778009 HBIYBLXMOYEZGM-WDEREUQCSA-N 325.438 0.886 70 20 ECID O=C(NCCNS(=O)(=O)c1cccs1)NCc1ccccn1 160889815 HIIPOWORUKMLGB-UHFFFAOYSA-N 340.430 0.921 70 20 ECID CC(C)C(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355406 OGLLUWHRGYXUBW-UHFFFAOYSA-N 331.369 0.612 70 20 ECID COCCN[C@H](C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1135488031 BGNSYRVCQOKMSH-ZJUUUORDSA-N 335.401 0.806 70 20 ECID O=C(NCC1[C@H]2CN(CCCF)C[C@H]12)c1cc(S(=O)(=O)F)c[nH]1 978729673 ZCMSPGYYOZITFH-VXGBXAGGSA-N 347.387 0.940 70 20 ECID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nnc2n1CCC2 1346040516 IEGAFFIHDUBDQI-SSDOTTSWSA-N 327.341 0.702 70 20 ECID O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1351577109 BYUVTIXEDMGQKP-ZYHUDNBSSA-N 344.364 0.883 70 20 ECID Cn1nccc1[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C(=O)O 1605567358 DFEZOROSWZPELH-LLVKDONJSA-N 341.320 0.634 70 20 ECID CCNCC1CCN(C(=O)[C@@H](NS(C)(=O)=O)[C@H](C)CC)CC1 161091179 MQERKWINMJQPDG-OCCSQVGLSA-N 333.498 0.798 70 20 ECID NC(=O)NC1(C(=O)NCc2cccnc2OCC(F)(F)F)CC1 159990567 UQPCWEQNOMRFSH-UHFFFAOYSA-N 332.282 0.840 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2CC[C@H](NCCO)[C@H]2C1 1026361424 UWTBWIPVUARYDX-DLOVCJGASA-N 345.396 0.105 70 20 ECID NC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccc1 1336405507 FRMBEIZSXMHFDK-LLVKDONJSA-N 325.321 0.629 70 20 ECID CC[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC#CCOC 1753486516 RVYQMHYHAVBPEF-LLVKDONJSA-N 345.396 0.421 70 20 ECID COC[C@H](O)CNS(=O)(=O)c1cnn(-c2ccccc2F)c1 160903971 GLDMDCYASUIQKW-SNVBAGLBSA-N 329.353 0.297 70 20 ECID CCN(CCCNC(=O)c1cccc2[nH]c(=O)oc12)S(C)(=O)=O 159942965 GWIVTHNZSHOGPJ-UHFFFAOYSA-N 341.389 0.523 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCN(C[C@@H](C)O)C1 1033954311 SBIMAMGYPZAZIG-MNOVXSKESA-N 347.412 0.590 70 20 ECID C=CCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](OC)C1 1082143684 DUGAJHGBODCLBY-VXGBXAGGSA-N 331.369 0.288 70 20 ECID C#CCNC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1185167671 DDKFPOMTVGRFAI-RYUDHWBXSA-N 341.408 0.994 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)NCCN1CCNC1=O 1338242587 LZEFWINGMYBIEG-UHFFFAOYSA-N 329.353 0.408 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)NCC(=O)NCC1CC1 1349506719 OYXMQQGTCIRZSD-UHFFFAOYSA-N 328.365 0.909 70 20 ECID CCn1cnnc1[C@H]1CCCN(CC(=O)NC(=O)NCC(C)C)C1 161330186 HUUBJPJOSFFINY-ZDUSSCGKSA-N 336.440 0.959 70 20 ECID Cc1c(C(=O)NCC(F)(F)F)cnc2c1c(=O)n(C)c(=O)n2C 160676133 UHQLILMWOBELHO-UHFFFAOYSA-N 330.266 0.233 70 20 ECID CN(CC(=O)N[C@@H](CCO)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 159522249 SQRPPYIOGDCSFE-CABCVRRESA-N 340.445 0.345 70 20 ECID CCOCCC1(CNC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)CCC1 159958234 MTMJRJPKBUPLHB-UHFFFAOYSA-N 346.387 0.938 70 20 ECID CC(=O)N[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 943577435 JHBDUKRKURKNHR-MGCOHNPYSA-N 331.369 0.850 70 20 ECID O=C(N[C@H]1C[C@H]2CCCCN2C1=O)c1cc(S(=O)(=O)F)c[nH]1 1121185493 RGFFOPPFVAGVFN-KCJUWKMLSA-N 329.353 0.556 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCc2ncnc(O)c2C1 1349235777 WLBHXTYDTFFFDN-UHFFFAOYSA-N 326.309 0.367 70 20 ECID Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1518678671 LLLCYEVBONRFCL-SECBINFHSA-N 341.368 0.821 70 20 ECID CO[C@@H](C)CNC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC1 1754986971 BAHIMFOANSIWLO-JTQLQIEISA-N 347.412 0.950 70 20 ECID CCn1ncc2ccc(NC(=O)N3CCN(C(=O)CO)CC3)cc21 160043947 BVCFZGKVYSUQHB-UHFFFAOYSA-N 331.376 0.725 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CCc1ccccn1 160356925 QSPHRJIPRVDHHI-OCCSQVGLSA-N 325.434 0.848 70 20 ECID N[C@H]1CCC[C@@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C1 160782777 HWGOJSBVKBKXIJ-JKSUJKDBSA-N 331.464 0.980 70 20 ECID CN([C@@H](CN)C1CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 159930572 SBWILHVYNPWXFJ-ZDUSSCGKSA-N 332.447 0.448 70 20 ECID CC(=O)N[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 1014656868 ZWWBUHPAIFWSIE-KCJUWKMLSA-N 331.369 0.802 70 20 ECID CC(C)CN1C[C@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958413697 SQHNQFJLOVDTNP-MFKMUULPSA-N 347.412 0.351 70 20 ECID C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cccc(S(=O)(=O)F)c1 1517975459 OFNYESCJBBQEES-KCJUWKMLSA-N 335.378 0.508 70 20 ECID CCOC[C@H](C(=O)OC)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1521207307 UKBIXHJXUYGQLN-SNVBAGLBSA-N 336.341 0.323 70 20 ECID CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]2CN)c1 160281359 WGTKBBULGBEEBI-JTQLQIEISA-N 329.397 0.687 70 20 ECID O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1COCCN1 160930779 XOHXOAYAXKFTCU-QWHCGFSZSA-N 337.807 0.940 70 20 ECID COCC(=O)N1CCN(C(=O)c2cccc3c2oc(=O)n3C)CC1 159960717 SDHTXHQJQUHLNE-UHFFFAOYSA-N 333.344 0.062 70 20 ECID COC(=O)N1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1345843482 GBIHDBQNTRQSDC-UHFFFAOYSA-N 333.341 0.587 70 20 ECID CS(=O)(=O)c1nc(C(=O)N[C@H]2CCC[C@H](N)C2)c2ccccn12 161068288 QHJLQUKLMBMNPQ-QWRGUYRKSA-N 336.417 0.738 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 160303310 DHJDMLDINWIISC-HUUCEWRRSA-N 349.431 0.591 70 20 ECID C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC[C@@H](O)C(C)(C)C 159596448 UEWYMJOEVOAMMB-VHSXEESVSA-N 334.463 0.938 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(c2ncccn2)CC1 1056025655 BRDJVAMZMPCBPO-UHFFFAOYSA-N 339.352 0.425 70 20 ECID COCCn1cc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)nn1 460095749 WAEOYQLZWMHZSJ-UHFFFAOYSA-N 328.325 0.835 70 20 ECID COC(=O)CCN1CCN(C(=O)c2cnc3c(c2)ncn3C)[C@@H](C)C1 161101360 FJMYEWDIDLASHL-LBPRGKRZSA-N 345.403 0.678 70 20 ECID C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)C[C@H](O)C1CC1 160744444 XKXJJZMKUNNIIY-ZFWWWQNUSA-N 333.436 0.216 70 20 ECID O=C(NCCC(=O)N1CCOCC1)c1cnc(C(F)(F)F)nc1 160847621 MAXFWXPOFGQKSE-UHFFFAOYSA-N 332.282 0.474 70 20 ECID O=C(N[C@H]1CCN(c2ncccn2)C1)c1cc(S(=O)(=O)F)c[nH]1 1058546946 RRDVWJYPMIFTMB-VIFPVBQESA-N 339.352 0.472 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C(=O)C2CC2)C1 1006902733 PBTIBOQKFRMOEX-QMMMGPOBSA-N 343.380 0.660 70 20 ECID NC[C@H]1CN(C(F)(F)COS(=O)(=O)C(F)(F)F)CCCO1 852751090 OWAPIVUKPZHSNA-ZETCQYMHSA-N 342.286 0.495 70 20 ECID CCCN1CCO[C@](C)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1108218895 ATLRUIJVLDBATN-CQSZACIVSA-N 347.412 0.904 70 20 ECID CO[C@@H](C)CN1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1038703963 BGLMWROYAQRUES-VHSXEESVSA-N 333.385 0.512 70 20 ECID O=C(CN1CCS(=O)(=O)CC1)N1CCc2c(Cl)cccc21 161462488 LLDIGNOIVIYPAT-UHFFFAOYSA-N 328.821 0.960 70 20 ECID COC[C@H](O)CCNC(=O)c1ccc(N2CCOCC2)c(F)c1 161470713 GRLWCGZECNQNMO-CYBMUJFWSA-N 326.368 0.790 70 20 ECID O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@]1(F)CCNC1 160435212 BATOYAMTMCAHSH-ABAIWWIYSA-N 344.770 0.962 70 20 ECID CCCCS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](NC)C2)CC1 160567516 SSPZATZDXKPRKM-CQSZACIVSA-N 331.482 0.649 70 20 ECID NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@@H]2CCCN2Cc2ccccc2)O1 160912777 NTZHLLMIMGZEOG-HRCADAONSA-N 331.416 0.800 70 20 ECID Cn1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1=O 460093018 KHIZKBWKHSHGNR-UHFFFAOYSA-N 346.361 0.844 70 20 ECID O=C(NC1CN(CC[C@H]2CCCO2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030972098 LNLIPACZAGIFGM-LLVKDONJSA-N 345.396 0.656 70 20 ECID CCCC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 977207277 XFBFICPTMDSKKS-IWIIMEHWSA-N 343.380 0.660 70 20 ECID C[C@@H](O)CCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1713957407 RCUQZUSFHODGCL-MNOVXSKESA-N 347.412 0.638 70 20 ECID Cc1conc1NC(=O)C(=O)N1CCN(CCN2CCCC2)CC1 160343388 WBTXKCBAMXJTES-UHFFFAOYSA-N 335.408 0.162 70 20 ECID CN(Cc1cccn1C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 160843658 IRCAIHGHDJFEOE-HMEQZMJYSA-N 327.384 0.791 70 20 ECID CN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ncccn1 1100330641 ZTCVUHYUXFPAOL-UHFFFAOYSA-N 327.341 0.329 70 20 ECID CC(=O)N1CC[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 953225952 SUJFASYLARFKLE-GWCFXTLKSA-N 343.380 0.756 70 20 ECID C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 972924049 GHHOQEPQKHIJIS-CDLYGTGVSA-N 343.380 0.706 70 20 ECID Cc1ccc(C)c(S(=O)(=O)N(CCOCCO)CCN(C)C)c1 161307978 GLLWZFVQHJXJJQ-UHFFFAOYSA-N 344.477 0.865 70 20 ECID CC(=O)N[C@@H](C)C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 160059813 SVOACLPUUHJJOF-LBPRGKRZSA-N 329.404 0.732 70 20 ECID O=C(CNC(=O)CC1CCCC1)NCCNC(=O)c1cccnc1 160219970 CTLOBXOQXZSPHX-UHFFFAOYSA-N 332.404 0.624 70 20 ECID CC(=O)N1CC[C@H](C)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1018459304 MBCORNVXQGDRPP-ONGXEEELSA-N 345.396 0.907 70 20 ECID C[C@@H](O)CN1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1024652802 VYDBVERWQSPWDF-GHMZBOCLSA-N 347.412 0.638 70 20 ECID C[C@@H](CNc1cc(F)ncn1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1108702312 AVWUYQXDVHPOFF-ZETCQYMHSA-N 345.331 0.832 70 20 ECID Cc1cc(F)cc2c1S(=O)(=O)N(CCS(=O)(=O)F)C2=O 883954106 ZIACFKTVSDONBC-UHFFFAOYSA-N 325.314 0.578 70 20 ECID CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 995556481 ARNJVDMVVBOFDF-QRTLGDNMSA-N 329.353 0.555 70 20 ECID O=C(NCCCNCc1ccon1)c1cc(S(=O)(=O)F)c[nH]1 1166871412 DGIVYZBXXHEWBW-UHFFFAOYSA-N 330.341 0.571 70 20 ECID CCOCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1755949903 QGYZIUVEVPEDAH-IUCAKERBSA-N 349.384 0.332 70 20 ECID Cc1cc(C(=O)NCCCN2CCN(c3ncccn3)CC2)ncn1 161434298 OARXSBGIZIYLRA-UHFFFAOYSA-N 341.419 0.517 70 20 ECID CN(C)C[C@@](C)(O)CNS(=O)(=O)c1cc(F)c(F)cc1F 161444343 JIZCCFWLDNVUGR-LBPRGKRZSA-N 326.340 0.695 70 20 ECID Cc1cccc(C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c1F 160175568 ZYSVFBDOSYOCOC-UHFFFAOYSA-N 335.379 0.943 70 20 ECID CC(C)n1cc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)cn1 160825385 GQUVXIUVRKSCBO-UHFFFAOYSA-N 330.454 0.541 70 20 ECID CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)F)cc1 838087737 HWEXCXYSJJOCMQ-SSDOTTSWSA-N 332.309 0.346 70 20 ECID N#CCN1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1023590757 FPRYTWGHFYUVBZ-JTQLQIEISA-N 328.369 0.638 70 20 ECID Cc1nnc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1C1CC1 1348034019 FJAQSRQHDJOROY-UHFFFAOYSA-N 327.341 0.838 70 20 ECID NC(=O)NC1(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1 160440121 RWJAWEBOXMBXMT-UHFFFAOYSA-N 332.282 0.840 70 20 ECID CN(CCN1CCOCC1)C(=O)c1csc(S(C)(=O)=O)c1 160513517 HBYVQNALZWSAET-UHFFFAOYSA-N 332.447 0.556 70 20 ECID CCN(CC)S(=O)(=O)CC(=O)NC[C@]1(O)CCc2ccccc21 159417397 PBRUKZJTYLAFPE-MRXNPFEDSA-N 340.445 0.608 70 20 ECID Cc1ccc(CCC(=O)NCC(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)cc1 159715923 KQQNNISXIAIRLQ-SJORKVTESA-N 345.443 0.585 70 20 ECID O=C(NCCCn1nc2n(c1=O)CCCC2)[C@H](O)c1ccccc1 159948620 MHVJFRRYDQPXCU-OAHLLOKOSA-N 330.388 0.621 70 20 ECID CC#CCN1CCOC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051116584 LMGKMLFJPDLCJU-NSHDSACASA-N 343.380 0.127 70 20 ECID COCCN[C@H](C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1135488028 BGNSYRVCQOKMSH-NXEZZACHSA-N 335.401 0.806 70 20 ECID O=C(N[C@@H]1C[C@@H](NCCO)C12CCC2)c1cc(S(=O)(=O)F)c[nH]1 1078728194 DVJFZIXSXOQXBD-VXGBXAGGSA-N 345.396 0.296 70 20 ECID CC(C)C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 980562988 AODXYXVRMVSKIV-MGCOHNPYSA-N 345.396 0.954 70 20 ECID COC(=O)[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1262805214 IVRIAIGLWYGGFZ-JQWIXIFHSA-N 347.339 0.999 70 20 ECID CCN(CC(=O)N[C@@H](C(=O)NC)c1ccccc1)Cc1cnn(C)c1 161131558 VGIXVPBUBVRRAV-QGZVFWFLSA-N 343.431 0.846 70 20 ECID O=C(CS(=O)(=O)Cc1cccc(Br)c1)N1CC(O)C1 161429716 BPLYFWOZIQULKE-UHFFFAOYSA-N 348.218 0.567 70 20 ECID COCCN(C)CCCNC(=O)N1CCCN(CC(F)F)CC1 160462214 DRVRIAMEGUEHJM-UHFFFAOYSA-N 336.427 0.937 70 20 ECID Cn1cc(CCC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cn1 160563915 JEVNQFLPHPQXPW-QWHCGFSZSA-N 328.438 0.187 70 20 ECID Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@H]3CO)ccc21 159839013 ZSAQBJFEUKHLNJ-JTQLQIEISA-N 325.390 0.022 70 20 ECID CCN1CCCN(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 159918729 UMELNFOMRNTATQ-AWEZNQCLSA-N 348.451 0.653 70 20 ECID C[C@]1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCS(=O)(=O)C1 1336922765 VUPUUPFOCJOSHN-LBPRGKRZSA-N 335.378 0.652 70 20 ECID CC(C)C(=O)NCCNC(=O)Cc1ccc(S(=O)(=O)F)cc1 1338416599 RTNLMKWSNCZAAX-UHFFFAOYSA-N 330.381 0.776 70 20 ECID O=C(N[C@H](C[C@H]1CCCO1)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601410386 ZBMBQYAJPHGVOY-GMSGAONNSA-N 334.325 0.425 70 20 ECID C#CCCNC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1 1754451897 RSZOWXIPFUXGFL-CYBMUJFWSA-N 327.381 0.794 70 20 ECID CN(C)C(=O)Cn1cnc(NS(=O)(=O)Cc2cccc(F)c2)n1 160958042 FSNVYFNOSIMISH-UHFFFAOYSA-N 341.368 0.447 70 20 ECID Cn1cnc2cc(C(=O)NCc3cccc(OCC(N)=O)c3)cnc21 159911590 VYBLLYHVDUEMNZ-UHFFFAOYSA-N 339.355 0.762 70 20 ECID O=C(N[C@H]1CCOC2(CCCC2)C1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1 159740737 WRAIPZVYKAXKLC-NSHDSACASA-N 344.371 0.833 70 20 ECID CC(C)COC[C@H](O)CNC(=O)c1sccc1-n1cnnn1 159394514 TUBIJKYSPBIDNU-SNVBAGLBSA-N 325.394 0.487 70 20 ECID CCOC(=O)N1CCC(NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)CC1 217288933 KOSAKNVDSWWRLS-CYBMUJFWSA-N 340.424 0.916 70 20 ECID O=C(NCC1(Nc2ncccn2)CC1)c1cc(S(=O)(=O)F)c[nH]1 1110358656 CYJPMTMHIXLBTG-UHFFFAOYSA-N 339.352 0.837 70 20 ECID C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 993818399 FOVOKPKPXPYYAL-JQWIXIFHSA-N 327.381 0.889 70 20 ECID CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1336961914 QAZSKMLPGRMUKZ-KWQFWETISA-N 347.368 0.039 70 20 ECID CC(C)(CNC(=O)Cn1cc(S(N)(=O)=O)cn1)C1CCCC1 161128736 SKOXBGHPHZGYQJ-UHFFFAOYSA-N 328.438 0.863 70 20 ECID CNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)c(=O)n(C)c2)o1 160759646 QDTVFPLLEDHQMG-UHFFFAOYSA-N 345.764 0.792 70 20 ECID C#CCN1[C@H]2CC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1045851859 WUIPONFYWRCNME-RYUDHWBXSA-N 339.392 0.985 70 20 ECID CC[C@@H](CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)OC 1015716602 ZEHPMKABCBCKQT-QWRGUYRKSA-N 347.412 0.902 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H]2[C@H](CCN2CCO)C1 1036824046 QJXJJZOCWTXCEO-ZWNOBZJWSA-N 345.396 0.202 70 20 ECID CC(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 966171455 ACPPYQWVRXMLLP-SKDRFNHKSA-N 345.396 0.906 70 20 ECID C[C@H](NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1cnccn1 1133976719 RPAMQPXBELYGOI-VIFPVBQESA-N 341.368 0.544 70 20 ECID C[C@@H](CCCCNCCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1175318245 XMAWTNQJNGIUGB-JTQLQIEISA-N 335.401 0.543 70 20 ECID COCCN(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192399348 YZYAYZIYGNCHGW-SNVBAGLBSA-N 333.385 0.466 70 20 ECID O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(S(=O)(=O)F)c[nH]1 1346381209 LKDUYOPMENQZMY-NXEZZACHSA-N 331.369 0.266 70 20 ECID Cn1cnnc1[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346318055 CQMUHBZGVCMXOT-JTQLQIEISA-N 327.341 0.779 70 20 ECID Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H]3CN)C2=O)cc1 160159638 NVFIVHLDEWWHKF-KDOFPFPSSA-N 344.415 0.712 70 20 ECID Cc1cc(C)n2nc(C(=O)NC[C@@H](O)CN3CCCCC3)nc2n1 160426446 LORDDWGIQQAILY-CYBMUJFWSA-N 332.408 0.318 70 20 ECID Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cn1 160486489 FMOHQMIMGXQRKD-UHFFFAOYSA-N 326.360 0.467 70 20 ECID CN(C)S(=O)(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 159954793 HRYFFSZVNWAIFK-JTQLQIEISA-N 342.339 0.841 70 20 ECID CCC(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 1012078772 MEOQORBGZRDUEY-PSASIEDQSA-N 331.369 0.802 70 20 ECID C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1CNCC#N 1133124590 BONBXMJFPTZDCJ-QWRGUYRKSA-N 342.396 0.884 70 20 ECID COCCN1C[C@@H](C)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1092968749 ZPRXUBUPALQQMK-GHMZBOCLSA-N 347.412 0.617 70 20 ECID COC[C@](C)(NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(=O)OC 1338751949 JLUBKCNEKZMBAR-AWEZNQCLSA-N 347.364 0.582 70 20 ECID COCC(=O)N[C@H](C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1756270006 WDFRXCPYSZWMLJ-SECBINFHSA-N 349.384 0.334 70 20 ECID Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)[C@@H](C)CO 160399886 LTYKLDAOSMTZEO-NSHDSACASA-N 326.418 0.889 70 20 ECID CN1CC[C@@H](NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)C1=O 160481293 CBNINWWEEPCDMB-GFCCVEGCSA-N 349.815 0.976 70 20 ECID O=C(NCCNCc1cnns1)c1cc(S(=O)(=O)F)c[nH]1 1133981159 KLTWHUJZGNHYPX-UHFFFAOYSA-N 333.370 0.044 70 20 ECID O=C(N[C@@H]1CN(c2ccccc2)C1=O)c1cc(S(=O)(=O)F)c[nH]1 1348035027 OPXCMASELBTGAN-GFCCVEGCSA-N 337.332 0.818 70 20 ECID CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1346340657 JCYIOSJUYHUPSF-UHFFFAOYSA-N 340.398 0.616 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@H](CC(N)=O)C2)c1CC 160306665 FXZXPYFRAFOQGR-LLVKDONJSA-N 349.435 0.692 70 20 ECID O=C(NCCNC(=O)c1ccn[nH]1)Nc1cnn(CC(F)F)c1 160907265 LTHIRCYQTLEXGT-UHFFFAOYSA-N 327.295 0.423 70 20 ECID CC(=O)N1CC[C@H](NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)C1 159489005 ZLWCANBPWXLKHV-AWEZNQCLSA-N 340.383 0.892 70 20 ECID N[C@H]1CCC[C@@H](NC(=O)Cn2cc(Br)ccc2=O)C1 161300774 BFENOWKJFRQUSW-WDEREUQCSA-N 328.210 0.997 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C(=O)C(F)F)CC1 1009679502 HDHFUQLZFDZOJK-UHFFFAOYSA-N 339.295 0.222 70 20 ECID COCCN1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C(C)(C)C1 975050033 QJNQTHMJQNWDSY-LBPRGKRZSA-N 347.412 0.760 70 20 ECID C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)CN1CCN(C)CC1 1519147383 UWQCXFPNVUXYFW-LLVKDONJSA-N 346.428 0.286 70 20 ECID CCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 160660126 KAMINIUKHATXGG-ARFHVFGLSA-N 348.447 0.575 70 20 ECID CNCC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 159663245 IPHDDMRWTMYUHQ-UHFFFAOYSA-N 325.434 0.316 70 20 ECID CCn1c(=O)n(CC(=O)N[C@H]2CCN(C(C)=O)C2)c2ccccc21 159491912 GLLKPIGIPHXJJO-ZDUSSCGKSA-N 330.388 0.560 70 20 ECID CC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958985911 GFSICMUKMBVWAZ-WCBMZHEXSA-N 331.369 0.660 70 20 ECID N#CCN1C[C@H]2CC[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 971825278 QBBDMSVWQQKCRU-VHSXEESVSA-N 326.353 0.485 70 20 ECID COCCN1[C@@H](C)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1528226403 BRLCWJCCRKMHRS-PHIMTYICSA-N 347.412 0.854 70 20 ECID O=C(c1ccc(=O)[nH]n1)N1CCC(CNC(=O)C(F)(F)F)CC1 216733873 VUXPMERUYYCVOK-UHFFFAOYSA-N 332.282 0.301 70 20 ECID CNC(=O)c1cccc(NCC(=O)NCC(=O)NC(C)(C)C)c1C 161258583 PGDJCGCJNCPZJA-UHFFFAOYSA-N 334.420 0.797 70 20 ECID NC(=O)NCCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 160417554 AKVJRLGRIVRFOH-CQSZACIVSA-N 332.404 0.395 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)c1ccccc1)CC2 160576360 HCRALWHULICOOJ-KGLIPLIRSA-N 345.403 0.772 70 20 ECID CCc1ccc(CN(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)o1 160598969 IKWFYRLYBHZJRK-LBPRGKRZSA-N 328.434 0.967 70 20 ECID O=C1NCCc2ccc(S(=O)(=O)NCc3ccccc3CO)cc21 159756912 OJVQJRKFEBCASI-UHFFFAOYSA-N 346.408 0.943 70 20 ECID CSCC(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355605 UYYFNPLCAOYQNP-UHFFFAOYSA-N 349.409 0.319 70 20 ECID C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164659 YXJMNSHCCRXIMC-RKDXNWHRSA-N 342.352 0.163 70 20 ECID CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 962562689 ZIOFAODHWVVIRC-STQMWFEESA-N 343.380 0.898 70 20 ECID CC[C@@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1077690048 TZGJBJQLRABBPN-OASPWFOLSA-N 347.412 0.494 70 20 ECID O=C(NCC1(N2CCOCC2)CC1)c1cc(S(=O)(=O)F)c[nH]1 1262787553 ASYFFWIIKDJNOZ-UHFFFAOYSA-N 331.369 0.268 70 20 ECID COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1cccnc1 1263791575 ZCAMHICUTDTATC-LLVKDONJSA-N 341.320 0.712 70 20 ECID COCCN1CCN(C(=O)CCCNC(=O)c2cccnc2)CC1 161185612 PVOWWCAEQSIFMI-UHFFFAOYSA-N 334.420 0.382 70 20 ECID Cc1c(NC(=O)C(=O)NCC(=O)NC(C)C)cnn1-c1ccccc1 160074320 JCRUKIZRJJHFAQ-UHFFFAOYSA-N 343.387 0.760 70 20 ECID Cn1c(=O)[nH]c2ccc(C(=O)Nc3nc(CC(N)=O)cs3)cc21 160172839 WFJWLVVMYDXADK-UHFFFAOYSA-N 331.357 0.603 70 20 ECID C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCO)n(C)c2)C1 159410489 XBMGPQBVDGDPDF-LLVKDONJSA-N 329.422 0.168 70 20 ECID CCN(C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 217285899 MYWFTYUSKVYZLY-VXGBXAGGSA-N 345.465 0.604 70 20 ECID COC[C@@H](C)N1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808564 MEMNOBUOYSSUHZ-GHMZBOCLSA-N 347.412 0.760 70 20 ECID C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938844547 DMRITZXXTZWWPS-IUCAKERBSA-N 342.352 0.163 70 20 ECID CN(C)[C@H]1[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)F)cc3)C[C@@H]21 863450791 OBTUMJWRZPIPGV-ITGUQSILSA-N 348.421 0.525 70 20 ECID CCc1cnc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)o1 1133976488 NLZJVAVUPCIFRO-UHFFFAOYSA-N 344.368 0.743 70 20 ECID O=C(NCCn1cccc1)C(=O)Nc1ccc(Cn2cncn2)cc1 160100463 HRNULTHTTKBFSY-UHFFFAOYSA-N 338.371 0.883 70 20 ECID CN(CCN1CCOCC1)C(=O)Nc1ccnn1C[C@@H]1CCOC1 159644023 PQROKUUTWLSTSO-AWEZNQCLSA-N 337.424 0.716 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](NCc2ccon2)C1 1019397085 IAWFYZDEKXHMFL-JTQLQIEISA-N 342.352 0.665 70 20 ECID CC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 945827371 KOPVSJIJDYWXNS-ZWNOBZJWSA-N 343.380 0.756 70 20 ECID Cn1ccnc1CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166871377 BSYYNXJFXZWTBW-UHFFFAOYSA-N 343.384 0.316 70 20 ECID O=C(NCc1nc([C@H]2CCCO2)n[nH]1)c1cc(S(=O)(=O)F)c[nH]1 1263852535 PMRZZODJPAOQMZ-SECBINFHSA-N 343.340 0.573 70 20 ECID COC(=O)CC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOCC1 1349233466 FHZHTSXLFCJEAY-UHFFFAOYSA-N 348.352 0.515 70 20 ECID O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1COCCN1 160930522 XOHXOAYAXKFTCU-STQMWFEESA-N 337.807 0.940 70 20 ECID C[C@@H](CCO)CNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 160970083 NIBLLJVKVJBJOD-HZMBPMFUSA-N 336.367 0.380 70 20 ECID COC[C@@H](O)CNC(=O)c1nnn(-c2ccc3ncccc3c2)c1C 159533058 PWJKJEJRHFSOHH-AWEZNQCLSA-N 341.371 0.861 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)CNC(=O)C(C)(C)C 159939637 QGSCNGWIUZFJRN-UHFFFAOYSA-N 327.469 0.966 70 20 ECID N#Cc1c[nH]ccc1=NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 864239590 LWAWROFTENMWCR-UHFFFAOYSA-N 341.345 0.834 70 20 ECID CC(C)N1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035511590 QGDGNQPOZGFWCV-JTQLQIEISA-N 333.385 0.512 70 20 ECID O=C(NC1CN(CC[C@@H]2CCCO2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030972099 LNLIPACZAGIFGM-NSHDSACASA-N 345.396 0.656 70 20 ECID O=C(NCCCNC[C@H]1CCCCO1)c1cc(S(=O)(=O)F)c[nH]1 1166878922 GGSPBBWVPSJBLD-LLVKDONJSA-N 347.412 0.952 70 20 ECID Cn1cc(N2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4CN3)C2=O)cn1 161141134 LJISKTVQCSBYTO-HZPDHXFCSA-N 339.399 0.356 70 20 ECID O=C(CCN1CCC[C@H](c2nnc3n2CCC3)C1)N1CCOCC1 161396968 FJJYHLDDLBTQSS-AWEZNQCLSA-N 333.436 0.653 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1cnn(-c2ccccc2)n1 160050713 CEVJEVUJAYMTEX-OAHLLOKOSA-N 329.404 0.844 70 20 ECID CNC(=O)CCNC(=O)C(=O)Nc1cccnc1-c1ccccc1 160211301 BHOSUNRCUBYJKZ-UHFFFAOYSA-N 326.356 0.939 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H](N(C)C)C1)CC2 160724785 XEJKNRXRGSUALC-QWHCGFSZSA-N 336.440 0.475 70 20 ECID Cc1ccc([C@H](O)CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 159461465 SPPYAFGLMAIKNC-CQSZACIVSA-N 337.401 0.444 70 20 ECID O=C(NCCC(=O)N1CCOCC1)c1cc(=O)[nH]c2cc(F)ccc12 159490886 DWRSGXHMHLQFBY-UHFFFAOYSA-N 347.346 0.646 70 20 ECID CN(C)CCN1C[C@@H](C(=O)NC[C@H](O)c2ccsc2)CC1=O 159515718 NXNHQOVPXIJHBY-STQMWFEESA-N 325.434 0.308 70 20 ECID CC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015581016 YYOGXGNTSUHELU-UWVGGRQHSA-N 331.369 0.708 70 20 ECID C[C@@]1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN(CC#N)CCO1 1108219562 GSNVEVBXZZWSOL-CYBMUJFWSA-N 344.368 0.017 70 20 ECID CCS(=O)(=O)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1121185686 VICKZSKIECGEMR-UHFFFAOYSA-N 326.371 0.228 70 20 ECID O=C(NC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CC1 983313871 KOIAMZZIWCRINZ-SECBINFHSA-N 343.380 0.661 70 20 ECID COC[C@@H](C)N1CC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085820182 SEMWSXLXTOYTMO-GHMZBOCLSA-N 347.412 0.854 70 20 ECID C#CCN[C@@H]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1086803714 WPAQWBGLZPXFTL-WDEREUQCSA-N 327.381 0.794 70 20 ECID O=C(Nc1cccc(-n2cnnn2)c1)c1cc(S(=O)(=O)F)c[nH]1 1337666963 JQENRNDNDOYKQC-UHFFFAOYSA-N 336.308 0.901 70 20 ECID CC(C)c1ncc(C(=O)NCCN2CCS(=O)(=O)CC2)s1 160148102 KQWVGBUIZSSTCD-UHFFFAOYSA-N 331.463 0.727 70 20 ECID Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCCCO2)cc1 160737987 KOJRFBZHPUTQGW-AWEZNQCLSA-N 326.418 0.959 70 20 ECID COC[C@H](O)CNC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 159442898 JBGDNANBBXITQL-CZUORRHYSA-N 339.411 0.460 70 20 ECID O=C(NC[C@H](O)Cc1ccccc1)NC[C@H]1CCCS1(=O)=O 159847025 ITWZHWXFRYUTMT-ZIAGYGMSSA-N 326.418 0.466 70 20 ECID CCCC(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004490220 SPJGLKYVIBVTFY-UHFFFAOYSA-N 331.369 0.661 70 20 ECID CCC(=O)N1CC2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 1018651169 WQSZPMARSRGFHO-UHFFFAOYSA-N 343.380 0.757 70 20 ECID CCCCN1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035510940 OKIKUGADTFXICJ-NSHDSACASA-N 347.412 0.904 70 20 ECID CCCN1C[C@@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978718332 KOAPFOIRXLGYHW-VXGBXAGGSA-N 329.397 0.991 70 20 ECID C[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1096026210 PQIMQJPPVVNCKS-PLKZCJTGSA-N 345.396 0.389 70 20 ECID COCC#CCNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166871425 DSQJIYNWURFPIK-UHFFFAOYSA-N 331.369 0.032 70 20 ECID C[C@@H](CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)[C@@H]1C[C@H]1C 1756496537 INBJGWLDQPHZRF-WCABBAIRSA-N 345.396 0.906 70 20 ECID CC(=O)NCCNC(=O)C(=O)Nc1sc(C)nc1CC(C)C 161095570 SPUZRCUAQDNNHO-UHFFFAOYSA-N 326.422 0.841 70 20 ECID CCNc1nc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cs1 161352509 KDGRNUAHEQCBNJ-UHFFFAOYSA-N 332.451 0.729 70 20 ECID O=c1[nH]c(=O)c2cc(S(=O)(=O)NCC3(C4CC4)CC3)cnc2[nH]1 160136711 UOIDOKBLPJQTDM-UHFFFAOYSA-N 336.373 0.080 70 20 ECID CN(C)c1ccc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cn1 160690989 SSAKVSLXZFMMOR-WCQYABFASA-N 340.449 0.595 70 20 ECID COc1cc(OC)c(C(=O)N2CC[C@@H](CO)[C@H](O)C2)cc1OC 217000590 VFKAXMDLBBEZKB-CMPLNLGQSA-N 325.361 0.528 70 20 ECID CN(CC#N)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1027582781 PCSKPVFUEWPQAS-JTQLQIEISA-N 328.369 0.733 70 20 ECID O=C(N[C@H]1C[C@H](NC[C@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1020599322 VJBZNYXPIMHVRF-GMTAPVOTSA-N 345.396 0.560 70 20 ECID CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 957838906 AWVQZMSIZDOAFK-AXFHLTTASA-N 343.380 0.802 70 20 ECID CC(C)N1CC[C@H](NC(=O)NC[C@H](C)CN2CCOCC2)C1=O 160025069 GUWYQAFAYPISGD-KBPBESRZSA-N 326.441 0.263 70 20 ECID CN(Cc1cccn1C)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O 160414099 HVNBEJQQPNHQPH-SDSIWUNFSA-N 345.399 0.536 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCn1ccccc1=O 160631262 CILAKHFGAWWERC-CHWSQXEVSA-N 341.433 0.073 70 20 ECID CCCCS(=O)(=O)N1CCC(C(=O)NC[C@@H](C)CCO)CC1 160955254 XZAFPFTYCRZDDY-ZDUSSCGKSA-N 334.482 0.963 70 20 ECID CC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1006811399 XVNLOBSVIVNEHM-HZMBPMFUSA-N 343.380 0.804 70 20 ECID C[C@@]1(NC(=O)C2CC2)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 956623021 SRJWDVUAONHWRT-CQSZACIVSA-N 343.380 0.804 70 20 ECID CO[C@@H]1COC[C@@H]1NC(=O)CCc1ccc(S(=O)(=O)F)cc1 1121128951 UZPWTMKEDHSQRS-QWHCGFSZSA-N 331.365 0.807 70 20 ECID CC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 965419863 MROSJLJAORCLBP-LBPRGKRZSA-N 343.380 0.804 70 20 ECID O=C(NCCNc1cnc(F)cn1)c1cc(S(=O)(=O)F)c[nH]1 1094126471 MVBAXPUVKIZGMP-UHFFFAOYSA-N 331.304 0.444 70 20 ECID NC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1ccccn1 1262788082 RSPAHTRKKFWILM-LBPRGKRZSA-N 337.332 0.696 70 20 ECID CCC[C@@H](CCO)CNC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 161167957 DDTFQPHTYIEMQJ-ZDUSSCGKSA-N 347.415 0.995 70 20 ECID CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2CCCCO2)CC1 161195851 LKKPNECPVXAAGD-HNNXBMFYSA-N 325.453 0.958 70 20 ECID Cc1ccc(S(=O)(=O)N(CCOCCO)CCN(C)C)cc1 161299499 ZRTKVMYJKMXLRY-UHFFFAOYSA-N 330.450 0.556 70 20 ECID Cc1cc(C[C@@H](C)NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)n[nH]1 161326478 PMNQASKCPRUEQK-ABKXIKBNSA-N 333.392 0.486 70 20 ECID Cn1cnc(-c2ccc(NC(=O)N3CCN4C(=O)NC[C@H]4C3)cc2)n1 161365657 HOEHZIWJYPBFBB-ZDUSSCGKSA-N 341.375 0.723 70 20 ECID Cc1cc(C)n(-c2ccc(CNC(=O)C3(NC(N)=O)CC3)cn2)n1 160889739 XLVCOJREYFTIQD-UHFFFAOYSA-N 328.376 0.701 70 20 ECID CN(C)C(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1 864244395 VBWQXVKNULKWIO-NSHDSACASA-N 328.365 0.895 70 20 ECID Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C[C@H]2CCCN2)cc1 161407044 LGQXJDYCKPHRAB-CQSZACIVSA-N 339.461 0.874 70 20 ECID CCCNS(=O)(=O)c1ccc(/C=C/C(=O)NCCCN)cc1 160142657 AOFRNDXEOMSHBX-RMKNXTFCSA-N 325.434 0.853 70 20 ECID CCC(=O)N1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 936296826 OVAJNTGPZSPFNU-VIFPVBQESA-N 331.369 0.756 70 20 ECID C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164656 YXJMNSHCCRXIMC-BDAKNGLRSA-N 342.352 0.163 70 20 ECID C[C@@H](O)CNCC1(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1167257845 LBVNBYRYQFDOSQ-SNVBAGLBSA-N 347.412 0.543 70 20 ECID CN1CCN(CCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1350746926 BPFZRKWPPTZVBW-UHFFFAOYSA-N 332.401 0.040 70 20 ECID C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1527564818 CRHRELMGBZHFRD-JTQLQIEISA-N 332.401 0.039 70 20 ECID Cc1c(C(=O)N2C[C@@H](C)OC[C@@H]2C)cnc2c1c(=O)n(C)c(=O)n2C 161131875 XMXOFFIKWPZILX-VHSXEESVSA-N 346.387 0.190 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cn[nH]c2C1 160475156 POBJNIATUAEGOG-WZRBSPASSA-N 340.449 0.349 70 20 ECID O=C(CN1CCS(=O)(=O)CC1)Nc1cccc(OCCF)c1 160515827 WAVCCTKQXBQSSV-UHFFFAOYSA-N 330.381 0.704 70 20 ECID COCC(=O)N(C)CC(=O)N1CCCN(CC(F)(F)F)CC1 160650206 YSDWFHWSBKORPO-UHFFFAOYSA-N 325.331 0.188 70 20 ECID CNC(=O)CCCN(C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C 159432641 ONQRQRJGUJQKAS-UHFFFAOYSA-N 339.421 0.423 70 20 ECID CCN1CCCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 159909735 ROXWNBSMLHTFOL-MRXNPFEDSA-N 325.501 0.607 70 20 ECID O=C(CN1CCC(=O)NC1=O)NCc1cccc(N2CCCC2=O)c1 216770877 OTTKHQWZORZCNA-UHFFFAOYSA-N 344.371 0.372 70 20 ECID O=C(N[C@H]1CCCCN(CCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1034404998 XKTKNIGQXGWUDV-NSHDSACASA-N 347.412 0.640 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2CC[C@H]1[C@@H](NCCO)C2 1079044396 CBSVWFXQBQEIOR-GAFUQQFSSA-N 345.396 0.248 70 20 ECID O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1083786448 ZQCRYETVQUTGHN-OLZOCXBDSA-N 345.396 0.248 70 20 ECID CO[C@@H](C)CN1CC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085820375 YBWKEOQPFKLUOF-WDEREUQCSA-N 347.412 0.854 70 20 ECID CO[C@@]1(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)CCOC1 1338804710 PSYDWCOVCCQWFK-CQSZACIVSA-N 331.365 0.809 70 20 ECID CCN1CCC[C@H]1CNC(=O)Cc1cccc(OCC(=O)NC)c1 161082244 COWONBBLUNRESO-HNNXBMFYSA-N 333.432 0.954 70 20 ECID CCC[C@H]1CN(C(=O)NCCC(=O)N(C)C)CCN1CCOC 160503846 KKQMXXLVUGOBPU-AWEZNQCLSA-N 328.457 0.607 70 20 ECID Cn1cc(C[C@H]2CCN(C(=O)NC[C@@H]3CCCS3(=O)=O)C2)cn1 159653208 NLIYRKDUHNDWON-OCCSQVGLSA-N 340.449 0.571 70 20 ECID CC(C)n1cc(S(=O)(=O)N(CCS(C)(=O)=O)C2CC2)cn1 159576851 DACMNBUOGSISQF-UHFFFAOYSA-N 335.451 0.662 70 20 ECID C[C@@H]1OCC[C@]12CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CCO2 1262788075 RPJCROWTLCPNMQ-ZANVPECISA-N 332.353 0.693 70 20 ECID COCCCS(=O)(=O)NCC(=O)N[C@H]1CCCc2occc21 161499789 CBGDTYNZBDKJLQ-LBPRGKRZSA-N 330.406 0.729 70 20 ECID Cc1cc(C)n(CCCNC(=O)NC[C@@H]2CCCS2(=O)=O)n1 160125953 HVWRQKDKKOBYCV-ZDUSSCGKSA-N 328.438 0.766 70 20 ECID CC(C)S(=O)(=O)CCCN1CCC(C(=O)N2CCOCC2)CC1 160547807 FODXTNZEUOPXLM-UHFFFAOYSA-N 346.493 0.771 70 20 ECID Cn1c(=O)ccn(CC(=O)Nc2cc(F)ccc2OC(F)F)c1=O 159472057 LLPZNSQHJNANRJ-UHFFFAOYSA-N 343.261 0.926 70 20 ECID COC[C@@H](O)CCNC(=O)C(=O)N1CCc2c(Cl)cccc21 159574313 FRUISUGMTMAYII-JTQLQIEISA-N 326.780 0.743 70 20 ECID COCCCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1753444529 SPPSGVHHIZSIMC-NSHDSACASA-N 347.412 0.856 70 20 ECID Cc1ccc(CN2CCN([C@H](C)C(=O)N3CCOCC3)CC2)nc1 161106942 LUOPVHVFQVJJPF-MRXNPFEDSA-N 332.448 0.755 70 20 ECID NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)O1 161365727 RULIJCPIPZKXMW-ARFHVFGLSA-N 349.406 0.939 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CC(=O)N(C2CCCC2)C1 160221908 WBHTWDMKCWXSBX-GOEBONIOSA-N 337.464 0.741 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)c1CC 160354063 ZMQNRGSHFSKWSU-CABCVRRESA-N 349.435 0.119 70 20 ECID CCc1nc(CN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n[nH]1 159583312 HWYJDLMPNXKMGG-VXGBXAGGSA-N 328.438 0.535 70 20 ECID CC(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 955825621 SGTOIVKRRCPYIO-WCBMZHEXSA-N 331.369 0.802 70 20 ECID COC(=O)[C@]1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCOC1 1338251057 RFSQVLCNVLOHMR-ZDUSSCGKSA-N 331.321 0.407 70 20 ECID CN(C[C@@H]1CCC[C@H]1O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 161191049 JJMANYYJVJDKBW-HBNTYKKESA-N 337.342 0.952 70 20 ECID Cc1ccc(-c2nnn(CC(=O)N3C[C@H](CO)OC[C@H]3C)n2)cc1 159891714 DUWNSBPRYKUJGD-TZMCWYRMSA-N 331.376 0.257 70 20 ECID C#CCN1CC[C@]2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 1041686612 NIXCCFGDCBZYSB-HNNXBMFYSA-N 339.392 0.844 70 20 ECID C=CCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090576632 NEVNXQDVTHBLAX-ZYHUDNBSSA-N 331.369 0.024 70 20 ECID C[C@H]1[C@@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCS1(=O)=O 1346341110 MMWDRMVBSNOVQL-SFYZADRCSA-N 338.382 0.321 70 20 ECID C[C@H](NCCCO)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1754799237 LHBXHGQMFJFOMY-WDEREUQCSA-N 347.412 0.496 70 20 ECID COC[C@H](O)CCNC(=O)[C@H](c1ccccc1)N1CCN(C)CC1 161096986 HLCILZDBJIZNDV-SJORKVTESA-N 335.448 0.489 70 20 ECID C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(Cc2ccncc2)CC1 161181064 IBGARUVESHOCQE-RDJZCZTQSA-N 332.448 0.883 70 20 ECID CN(C)CC(C)(C)CNC(=O)c1coc(S(=O)(=O)N(C)C)c1 160334715 HVMBRJWJRDSEHL-UHFFFAOYSA-N 331.438 0.848 70 20 ECID Cc1ccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)cn1 160949615 IJFWURPJTYQOET-UHFFFAOYSA-N 326.360 0.467 70 20 ECID CC(=O)N1c2ccc(S(=O)(=O)NC[C@H](C)CO)cc2C[C@H]1C 159702583 CHDSBHJYXITEHE-WDEREUQCSA-N 326.418 0.891 70 20 ECID Cc1nc(S(=O)(=O)NC[C@H](O)COc2ccc(F)cc2)cn1C 159982880 XEKVSRLZRSTDDS-LBPRGKRZSA-N 343.380 0.586 70 20 ECID O=C([C@@H]1C[C@H](O)CN1)N1CCN(c2nc3ccccc3s2)CC1 216919268 IOZWXWQZIHAGPM-AAEUAGOBSA-N 332.429 0.668 70 20 ECID COC[C@H](C)N1CC[C@@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046628839 RVTZRTUWXCVRJU-IINYFYTJSA-N 347.412 0.902 70 20 ECID CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 952603594 TWIIKQFQSQYATK-MNOVXSKESA-N 343.380 0.898 70 20 ECID CN(C[C@H]1CCN1C(=O)C1CC1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 978421477 YXEWSMYMVWUHHO-SNVBAGLBSA-N 343.380 0.756 70 20 ECID C#CCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1097863395 MDRUBHLRTQNBLK-XWIASGKRSA-N 325.365 0.641 70 20 ECID CN(C)C(=O)[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1 1337598921 TVFDJCKVZLCIBV-GFCCVEGCSA-N 342.392 0.824 70 20 ECID CCS(=O)(=O)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346332042 BKXCLZRVTFSYEU-UHFFFAOYSA-N 326.371 0.180 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCC[C@]1(C)CO)CC2 160605909 QLXSSBWLJCQOQE-XHBSWPGZSA-N 337.424 0.590 70 20 ECID CN1CCO[C@@H]2CN(C(=O)CNC(=O)c3cc4ccccc4[nH]3)C[C@@H]21 159728865 OAMQTULWHDJQLC-JKSUJKDBSA-N 342.399 0.439 70 20 ECID C#CCCN1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035510225 KAJCMCXCZCHFHG-NSHDSACASA-N 343.380 0.127 70 20 ECID CC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 955455103 FJUQCIJAWRWXFJ-WPRPVWTQSA-N 331.369 0.802 70 20 ECID CCC(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 959672982 PGRZIVWDSWIKRX-LDYMZIIASA-N 331.369 0.660 70 20 ECID CC[C@H](NC(=O)CCc1ccc(S(=O)(=O)F)cc1)C(=O)NC 1337461217 XLLOZNJLRHBNBR-LBPRGKRZSA-N 330.381 0.918 70 20 ECID C[C@H](CO)N(C)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 160400838 BHMJKRMQDNHDOW-LLVKDONJSA-N 346.474 0.914 70 20 ECID CN[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1 160745010 SBNSAWROXMIHLC-AWEZNQCLSA-N 337.445 0.809 70 20 ECID Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1c[nH]c(=O)c(C)c1 159463124 RSFCSGHMBXQJHL-UHFFFAOYSA-N 327.344 0.817 70 20 ECID N[C@@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)NCC1CCC1 159671417 UVSNHMYDZUJADA-HNNXBMFYSA-N 339.461 0.392 70 20 ECID CC(C)(CNC(=O)c1cncc(I)c1)C(N)=O 159994039 YRKDCHYJDJQITG-UHFFFAOYSA-N 347.156 0.928 70 20 ECID CC(C)=CC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942442095 ZYTYFXYOLVBYFB-SNVBAGLBSA-N 343.380 0.970 70 20 ECID COC(CN(CCCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1)OC 1123743299 XNIREQVFACHKOX-UHFFFAOYSA-N 338.357 0.116 70 20 ECID COC[C@H](C)N1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961789275 MNBAYUYDEHCYAP-MVVXRAEJSA-N 345.396 0.368 70 20 ECID CC(=O)N1CC[C@H](CN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 987640807 MVTXNUAEQCQBHJ-SNVBAGLBSA-N 331.369 0.613 70 20 ECID C#CCN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1084668605 BKOBJSAGDZLTFZ-ZWNOBZJWSA-N 325.365 0.452 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](CN2CCOCC2)C1 1346290116 BIONMDWGZKHIBU-NSHDSACASA-N 345.396 0.467 70 20 ECID CC1(C)C(=O)NCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1518310255 RIPDOUXUCPRCIZ-UHFFFAOYSA-N 328.365 0.624 70 20 ECID CNS(=O)(=O)CC(=O)N(Cc1ccccc1)CC1(O)CCCC1 161234852 GIXKDBLORBHJOL-UHFFFAOYSA-N 340.445 0.870 70 20 ECID CC#CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033430647 ZMJFKDVNNGAXSK-NSHDSACASA-N 327.381 0.843 70 20 ECID Cc1c(C(=O)NCC2(C3CC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 159855164 GUMWBCPRHWDQMY-UHFFFAOYSA-N 342.399 0.861 70 20 ECID COCCN1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1024652845 WQSFLWGAUIQORZ-NSHDSACASA-N 347.412 0.904 70 20 ECID O=C(NC1CN(Cc2nccs2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030966146 LOCJIJKQGHZTHJ-UHFFFAOYSA-N 344.393 0.744 70 20 ECID CCOC(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263816061 RKUIGSNYFWLPML-VIFPVBQESA-N 336.366 0.751 70 20 ECID O=C1CCCN1C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1263854765 OZCNMUMHUPKRHN-JTQLQIEISA-N 343.380 0.757 70 20 ECID Cc1c(-c2nc([C@H]3CCOC3)no2)cnc2c1c(=O)n(C)c(=O)n2C 161027434 UNSPYSKIFLSYSW-VIFPVBQESA-N 343.343 0.495 70 20 ECID CCCN1CCC(NCc2ccc(C(=O)NCC(N)=O)cc2)CC1 160947261 SFBHATHHJPNOTH-UHFFFAOYSA-N 332.448 0.866 70 20 ECID CS(=O)(=O)NCCCNC(=O)CCCc1nc(C2CC2)no1 159461517 DQZRLNLZIXRHAX-UHFFFAOYSA-N 330.410 0.325 70 20 ECID CCC(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 978419932 UWSCEDBHFQDHQF-SECBINFHSA-N 331.369 0.756 70 20 ECID O=S(=O)(N[C@H](CO)Cc1c[nH]c2ccccc12)N1CCOCC1 161262540 ZEBMFJKTZCVCOV-ZDUSSCGKSA-N 339.417 0.238 70 20 ECID CC[C@H](C)NC(=O)CN1CCN(CCCS(=O)(=O)C(C)C)CC1 160751479 SKKJYKYHCKOEGR-HNNXBMFYSA-N 347.525 0.732 70 20 ECID Cn1cc(NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)ccc1=O 460090939 GTZGJYANIFSKLY-UHFFFAOYSA-N 346.361 0.844 70 20 ECID N#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 1026359600 FDCBLMWCRDOTGO-YUSALJHKSA-N 340.380 0.637 70 20 ECID C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(S(=O)(=O)F)cc1 864240030 UINXDCUJCGGDET-SECBINFHSA-N 337.394 0.850 70 20 ECID C[C@@H](O)CN1CCC(C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1045558501 NLUKVPYCFNNFKP-SNVBAGLBSA-N 347.412 0.638 70 20 ECID Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1C 161214666 LDHKJBKXIGZSAI-CYBMUJFWSA-N 327.388 0.801 70 20 ECID Cc1nn(C)c(C)c1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 160259070 SKHRHZQYLLLCQQ-NEPJUHHUSA-N 328.438 0.485 70 20 ECID C[C@H](CO)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 160527790 CFJJTOKWNRNMLK-WDEREUQCSA-N 332.447 0.646 70 20 ECID CN(Cc1cccn1C)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 160843422 IRCAIHGHDJFEOE-GVAFMPQTSA-N 327.384 0.791 70 20 ECID Cn1c(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cccc1=O 160870337 RAEHZUGQSXZPGV-INIZCTEOSA-N 337.445 0.323 70 20 ECID CC(C)CN(CC(N)=O)C(=O)Cc1csc(N2CCCC2=O)n1 159775658 WXOSLMRKJZPOPF-UHFFFAOYSA-N 338.433 0.782 70 20 ECID C[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)N1C(=O)CCC1=O 460089299 FOTBIISWAJNARR-QMMMGPOBSA-N 328.321 0.821 70 20 ECID C[C@@H](O)CN1CC[C@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046627801 ITTVLLHQDMGJOM-RNCFNFMXSA-N 333.385 0.248 70 20 ECID C[C@H]1C[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164550 WULYWRVRRVFINK-QXEWZRGKSA-N 343.380 0.660 70 20 ECID CCN1CCCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1073769642 MQTTZWBCBNODSO-JTQLQIEISA-N 333.385 0.514 70 20 ECID O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@H](Oc2ccccc2Cl)C1 161273000 CKZTZCNCQTUDIA-NSHDSACASA-N 349.774 0.870 70 20 ECID Cc1conc1NC(=O)C(=O)NCCCNC(=O)c1cccs1 160919349 NWOLBVDHDDCBLK-UHFFFAOYSA-N 336.373 0.919 70 20 ECID C[C@H](O)CN(C)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 159391118 XRNUKHTXJCLWFM-IUCAKERBSA-N 347.337 0.860 70 20 ECID Cc1oc(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)cc1S(N)(=O)=O 159799214 ZRLPCHKOZJQLRS-OUAUKWLOSA-N 328.390 0.923 70 20 ECID C[C@@H](CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC(=O)C(F)F 1078506988 ZOEODFCDJFEEEN-LURJTMIESA-N 341.311 0.563 70 20 ECID C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CCC[C@H](N)C1 161089406 DLMMKOYRDVSZHS-DCAQKATOSA-N 331.463 0.801 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CCc1ccccn1 160357183 QSPHRJIPRVDHHI-JSGCOSHPSA-N 325.434 0.848 70 20 ECID C[C@@H](CNS(=O)(=O)c1ccc(Cl)nc1)CN1CCOCC1 160378043 GEAQXUVGBYHPRS-NSHDSACASA-N 333.841 0.982 70 20 ECID COC[C@H](O)CNC(=O)c1nnn(-c2cccc3cccnc23)c1C 159506159 VKTPHEGXIACSSW-CYBMUJFWSA-N 341.371 0.861 70 20 ECID C#CCN1CC=C(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1001157948 ZARYQADSIRZEGA-UHFFFAOYSA-N 325.365 0.668 70 20 ECID O=C(NC1[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]12)C1CC1 1012648201 JRWUSNFEOWCQFL-UWVGGRQHSA-N 341.364 0.270 70 20 ECID O=C(NCC1[C@@H]2CN(CCCF)C[C@@H]12)c1cc(S(=O)(=O)F)c[nH]1 978729668 ZCMSPGYYOZITFH-RYUDHWBXSA-N 347.387 0.940 70 20 ECID C#CCCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](OC)C1 1082143634 BPXKJSKXUUDGJS-CHWSQXEVSA-N 343.380 0.125 70 20 ECID O=C(NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)c1ccco1 990086025 FIUNDEIMUQLDRE-UHFFFAOYSA-N 341.320 0.520 70 20 ECID COC(=O)[C@@]1(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)CCOC1 1338753092 XCJPPZUXHNQYDD-CQSZACIVSA-N 345.348 0.336 70 20 ECID C[C@H]1CN(C)C(=O)CN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1349596126 UBTOTVLUIJTMKN-JTQLQIEISA-N 328.365 0.576 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOC[C@@H]1[C@H]1CCCO1 1349531445 DMLLCQZOIAOXLL-VXGBXAGGSA-N 332.353 0.693 70 20 ECID COCCN(C)S(=O)(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 161226087 BCWUMNJDDUNPOD-CYBMUJFWSA-N 341.433 0.484 70 20 ECID Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(CCO)CC1 161394549 NUAZZTZHPLCQCZ-UHFFFAOYSA-N 330.454 0.020 70 20 ECID COC[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 161472527 JXXWMUCCIWNFHN-SHWKFHJASA-N 326.437 0.927 70 20 ECID CCCCn1ncc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1C 160301380 ADVJHUMRCUUTCG-UHFFFAOYSA-N 328.438 0.709 70 20 ECID C/C=C(\C)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1010956232 XEEHRLUZCWKSEQ-XCVCLJGOSA-N 343.380 0.924 70 20 ECID O=C(NC[C@H]1CCN1C[C@@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1038710845 RCVAXDWLTBMGDN-WDEREUQCSA-N 345.396 0.514 70 20 ECID CC(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)[C@@H](C)C1 1337303748 UXTVDVVUFOUSLQ-NSHDSACASA-N 342.392 0.967 70 20 ECID NC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccn1 1520006904 KZCFBQHFCLQCQL-SNVBAGLBSA-N 326.309 0.024 70 20 ECID CNC(=O)[C@]12CCOC[C@H]1CN(c1ccc(S(=O)(=O)F)cn1)C2 1551409839 OHDHDLNXSQWAKL-YGRLFVJLSA-N 343.380 0.329 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)NC[C@H]1CCC2(CNC2)O1 1580570177 PFICHZFJFBLJCS-GFCCVEGCSA-N 342.392 0.525 70 20 ECID CN(C)c1cccc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 159636456 FGRNUOIFMSGCGO-LBPRGKRZSA-N 325.434 0.764 70 20 ECID CN1CCC[C@@H]2CN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC[C@@H]21 159484832 QFFCZSIAEYHTMW-RDBSUJKOSA-N 345.509 0.893 70 20 ECID CC[C@@H](CN1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)OC 1038710946 RTQDEDWRGADIJO-MNOVXSKESA-N 347.412 0.902 70 20 ECID COCCN1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1076256020 FGAXQUBOAPIGNR-GXFFZTMASA-N 345.396 0.466 70 20 ECID CCNC(=O)N1CC[C@H](NC(=O)c2cccc(S(=O)(=O)F)c2)C1 1336949344 NEBDRABPGUUXKL-NSHDSACASA-N 343.380 0.878 70 20 ECID O=C(NN1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)F)c[nH]1 1349235281 RPHUQTPOZCTYSS-UHFFFAOYSA-N 337.288 0.614 70 20 ECID O=C(NCCc1cn2c(n1)SCC2)c1cc(S(=O)(=O)F)c[nH]1 1517975358 NEJMNXQOKDUDJH-UHFFFAOYSA-N 344.393 0.948 70 20 ECID Cn1cc(O[C@@H]2CN(c3ccc(S(=O)(=O)F)cn3)C[C@@H]2O)cn1 1550632149 DBTIRSNBZFPGHB-NWDGAFQWSA-N 342.352 0.102 70 20 ECID O=C(O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)CCO1 1594954460 DVCAXQDLUJBDBO-NSHDSACASA-N 348.308 0.684 70 20 ECID COC[C@@H](O)CCNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 161127483 SHXNIYXFLYPMNY-LBPRGKRZSA-N 349.362 0.807 70 20 ECID CCC(CC)(CN)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 161186177 VPFMRXIXMLKFJB-UHFFFAOYSA-N 338.452 0.045 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)C(C)(C)C)CC2 161210797 ABIYTKUWLANJJC-MNOVXSKESA-N 325.413 0.446 70 20 ECID CN(C)CCN(CCN(C)C)C(=O)c1csc(S(C)(=O)=O)c1 161270719 GHKGAOSWKMPVAM-UHFFFAOYSA-N 347.506 0.717 70 20 ECID CC(C)S(=O)(=O)CCCN1CCN(C(=O)[C@H]2CCCO2)CC1 160529438 PJIJGKGQTHSWKN-CQSZACIVSA-N 332.466 0.523 70 20 ECID C[C@H](CO)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 160527527 CFJJTOKWNRNMLK-QWRGUYRKSA-N 332.447 0.646 70 20 ECID Cc1c(C(=O)N[C@H](CO)CC(C)C)cnc2c1c(=O)n(C)c(=O)n2C 160938876 WBFIAQZXUJTJFH-NSHDSACASA-N 348.403 0.077 70 20 ECID NC1(CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CCCCC1 159570110 NODHIAVWCWOJTF-UHFFFAOYSA-N 344.415 0.858 70 20 ECID C[C@H](O)CN[C@H]1C[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1086201061 GUPUMCTUYPBWHU-LPEHRKFASA-N 333.385 0.152 70 20 ECID C[C@@H]1[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1CC#N 993824362 LAXGDRIFTQGIMZ-MWLCHTKSSA-N 328.369 0.779 70 20 ECID O=C(CCNC(=O)c1ccsc1)NC[C@@H](O)CN1CCCCC1 160648308 WKRGYZPDFJCPBM-CQSZACIVSA-N 339.461 0.831 70 20 ECID CNC(=O)CCCN(C)C(=O)Nc1cccc(-n2nnnc2C)c1 160693162 IJZZSWUKIIZPEP-UHFFFAOYSA-N 331.380 0.961 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1CCS[C@@H](C)C1)CC2 160778252 HBIYBLXMOYEZGM-QWRGUYRKSA-N 325.438 0.886 70 20 ECID Cc1ccc(N2CC[C@H](NC(=O)CNC[C@H]3CCCO3)C2=O)cc1 160924425 CICYLZFKQJGSCR-CVEARBPZSA-N 331.416 0.985 70 20 ECID CN1CCO[C@@H]2CN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C[C@@H]21 159679048 SFFUPWDIJOFPGY-UONOGXRCSA-N 339.342 0.236 70 20 ECID CN(CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1CCC[C@@H]1O 159875318 MYYDAGVCEJTMIP-ZJUUUORDSA-N 325.331 0.857 70 20 ECID CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)C1 159691180 FNCYIQYZCGHLBE-OLZOCXBDSA-N 333.363 0.916 70 20 ECID O=S(=O)(NCCNc1nccc(C(F)(F)F)n1)c1c[nH]cn1 159587449 FZSIXEMNDIKEDM-UHFFFAOYSA-N 336.299 0.609 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)NC1(C(F)F)OCCO1 1121227051 OSDFMRRXDDYHGT-UHFFFAOYSA-N 339.291 0.969 70 20 ECID CC(C)(F)C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 973790368 URRBMSGCBMQEPP-OCAPTIKFSA-N 349.359 0.798 70 20 ECID Cc1c(C(=O)N2CCOC(C)(C)C2)cnc2c1c(=O)n(C)c(=O)n2C 161424865 RNGFXWRGDDWTTR-UHFFFAOYSA-N 346.387 0.192 70 20 ECID Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 159894612 WUPUXOZUEMIGOZ-QMMMGPOBSA-N 340.405 0.638 70 20 ECID O=C(CC1CC1)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1009771793 JMNFOLAXPRQAQJ-UHFFFAOYSA-N 343.380 0.757 70 20 ECID O=C1N[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)C[C@@H]2CO1 865210776 OKCHREUUPCILIB-PWSUYJOCSA-N 342.348 0.915 70 20 ECID C=C(C)CN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](OC)C1 1082143842 HPQYCSGCTQBBAE-CHWSQXEVSA-N 345.396 0.678 70 20 ECID Cc1ccc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cc1N(C)C 161472253 SZPJNNZOMJKRCT-HNNXBMFYSA-N 329.466 0.652 70 20 ECID CCc1ccccc1C(=O)N1CCN(CC(=O)NCCOC)CC1 160796502 BFALENZWFRKLOH-UHFFFAOYSA-N 333.432 0.769 70 20 ECID CN1CCO[C@@H](CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 160879378 SZEYFPJSKFEHRE-AWEZNQCLSA-N 330.392 0.934 70 20 ECID C[C@@H]1C[C@H](NCCO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1044745844 DYMGNVYVLOQTRA-NXEZZACHSA-N 333.385 0.248 70 20 ECID N#CCN1CCC2(CC1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1050670324 HARXIWQNTDPTAS-UHFFFAOYSA-N 340.380 0.734 70 20 ECID COC[C@H](C)N[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209678369 LYGRFYMOLDJJKU-QWRGUYRKSA-N 347.412 0.902 70 20 ECID O=C(N[C@H]1CCc2ncnn2C1)N1CCC[C@@H](CN2CCOCC2)C1 161194183 FSOYIDNJJKZCRS-GJZGRUSLSA-N 348.451 0.347 70 20 ECID C[C@H](CO)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 160420503 FLWVQWTZEVOCGG-NSHDSACASA-N 344.408 0.968 70 20 ECID CC(=O)N1CC[C@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1005282170 OUYWRTOOWZWABZ-UFBFGSQYSA-N 331.369 0.660 70 20 ECID O=C(NC1[C@@H]2CN(C(=O)C3CC3)C[C@@H]12)c1cc(S(=O)(=O)F)c[nH]1 1013807449 OXHSQAKKBMEXRM-NXEZZACHSA-N 341.364 0.270 70 20 ECID C=CCN1CCO[C@](C)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1108219413 FMWGSINSPUNEPI-CQSZACIVSA-N 345.396 0.680 70 20 ECID CN(C(=O)c1ccc(S(=O)(=O)F)cc1)[C@H]1CCN2CCO[C@H]1C2 864242009 SCUZIYRKQWLECI-KBPBESRZSA-N 342.392 0.890 70 20 ECID CSCC(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952163500 XMWUARAFWRCZGK-MRVPVSSYSA-N 349.409 0.367 70 20 ECID CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@H](C)CCO)cc1 160959667 YVRLLANWXRTVTL-LBPRGKRZSA-N 328.434 0.874 70 20 ECID COc1ccc(C(=O)N(C)C2CCN(CCn3cccn3)CC2)nn1 159641114 HWXKAWYXUOQCAV-UHFFFAOYSA-N 344.419 0.918 70 20 ECID Cc1c(C(=O)N(C)Cc2ccco2)cnc2c1c(=O)n(C)c(=O)n2C 159513860 KHXAHUNQMKLXGL-UHFFFAOYSA-N 342.355 0.806 70 20 ECID N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460090807 GSBQAVLFEKHHJA-SECBINFHSA-N 334.350 0.258 70 20 ECID O=C(NC1CN(C[C@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030971884 ABITVUVBTHXOLW-SECBINFHSA-N 331.369 0.123 70 20 ECID N#CCN1CCC(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)CC1 1120998703 LPIXJWMURCCWNQ-UHFFFAOYSA-N 339.392 0.991 70 20 ECID CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 962562453 ZIOFAODHWVVIRC-OLZOCXBDSA-N 343.380 0.898 70 20 ECID CCCCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](OC)C1 1082143890 KGXFSIBNKIGRGB-CHWSQXEVSA-N 347.412 0.902 70 20 ECID CCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090576232 KXQVBKOAMVNWQZ-CMPLNLGQSA-N 333.385 0.248 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H](N2CCNC2=O)C1 1527341549 QLXWCLIZQBHMSA-VIFPVBQESA-N 344.368 0.303 70 20 ECID CCC(=O)N(C)CCOCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1756382254 APFFQRACBDHJFW-UHFFFAOYSA-N 349.384 0.288 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N(C)CCCn2ccnc2C)co1 160973700 HWGYWMXRXKKVRQ-UHFFFAOYSA-N 340.405 0.855 70 20 ECID C[C@H]1CN(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)CO1 1347256709 ROPCZBDBZWEWTK-UWVGGRQHSA-N 333.385 0.512 70 20 ECID O=C(NC[C@@H]1CCC2(CNC2)O1)c1cccc(S(=O)(=O)F)c1 1580650314 UTQCVUPEPXVMQS-NSHDSACASA-N 328.365 0.596 70 20 ECID O=C1C[C@@H](C(=O)NCc2cc(Br)ccc2F)NC(=O)N1 216635056 AKXSVRNHSSSQKP-VIFPVBQESA-N 344.140 0.803 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 161044477 YGQQVCSIKHJJMU-PWSUYJOCSA-N 342.342 0.831 70 20 ECID CC(C)CNC(=O)NC(=O)CN1CCN(Cc2ccncc2)CC1 161179432 NSAWATYPLDLMTJ-UHFFFAOYSA-N 333.436 0.681 70 20 ECID CC(C)C[C@@H](CO)NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 161280365 PZGIIIASBPEONX-JKSUJKDBSA-N 334.416 0.937 70 20 ECID CCC(N)(CC)CNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 160559015 OPSSRAATLWTVQB-ZFWWWQNUSA-N 335.452 0.963 70 20 ECID C#CCCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033429424 HWMNDSMFPLGDHQ-NSHDSACASA-N 327.381 0.843 70 20 ECID C[C@@H](O)CN1CC=C(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1001156615 MWNRXQJFMYLASI-SNVBAGLBSA-N 345.396 0.416 70 20 ECID CNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](C)CCO)cc1 161043724 OZQXGXVTYQGLAA-LBPRGKRZSA-N 328.434 0.662 70 20 ECID CC[C@H](NC(=O)N1CC[C@@H](S(=O)(=O)NC)C1)c1ccncc1 160309104 FGGJABZUDFISLR-OLZOCXBDSA-N 326.422 0.866 70 20 ECID Cn1c(C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)cccc1=O 160385739 CTBFDXZJEGITRV-LBPRGKRZSA-N 341.433 0.319 70 20 ECID CS(=O)(=O)N1CCC[C@@H]1CNC(=O)/C=C/c1cncc(F)c1 160621822 XSOWJUGWQATWKN-MUBLQREKSA-N 327.381 0.774 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H](NCCCO)C1 1209680321 XTCMSCRWSXHNSS-JTQLQIEISA-N 333.385 0.250 70 20 ECID CCS(=O)(=O)NCCCNC(=O)c1cnn(CC(C)C)c1C 161129659 PNHZARYNKVACSY-UHFFFAOYSA-N 330.454 0.907 70 20 ECID CN(C)S(=O)(=O)c1cc(C(=O)NC2CCN(C3CC3)CC2)co1 161294704 OARFCGUREHSHLR-UHFFFAOYSA-N 341.433 0.887 70 20 ECID C[C@@H](NC(=O)CN1CCC([C@@H](O)C(F)(F)F)CC1)C(=O)N(C)C 161346107 BODDIEXECYFHLF-BXKDBHETSA-N 339.358 0.215 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)C1 159411775 GVYSIXNQNCOVQE-QZTJIDSGSA-N 344.459 0.712 70 20 ECID C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1049726962 HOVHQAPHKREBQZ-UONOGXRCSA-N 339.392 0.985 70 20 ECID C#Cc1cc(OS(=O)(=O)F)cc(C(=O)N2CC(=O)N[C@H](C)C2)c1 2088591913 UMSPEXVYTUMPIY-SECBINFHSA-N 340.332 0.222 70 20 ECID CC[C@@H](C)NC(=O)CN1CCN(CCCS(=O)(=O)C(C)C)CC1 160751376 SKKJYKYHCKOEGR-OAHLLOKOSA-N 347.525 0.732 70 20 ECID CS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 160789396 WNWNSCAZZGKIQB-ZDUSSCGKSA-N 344.481 0.290 70 20 ECID N[C@H]1CCC[C@H](NC(=O)Cn2cc(Br)ccc2=O)C1 161300893 BFENOWKJFRQUSW-QWRGUYRKSA-N 328.210 0.997 70 20 ECID C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCNC(=O)C2)CC1 161266547 LTOFUEVNECNTDJ-ZDUSSCGKSA-N 331.420 0.748 70 20 ECID CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(O)c1 160605999 LAYSZPISFIPKBO-ZDUSSCGKSA-N 326.418 0.517 70 20 ECID C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CCOCC1 159806789 WMHJNXSNAIKFGX-HOCLYGCPSA-N 337.464 0.814 70 20 ECID COCCC(=O)N1CCC(NC(=O)N(CCN(C)C)C(C)C)CC1 159757131 OSQYSHZYSFSXRQ-UHFFFAOYSA-N 342.484 0.996 70 20 ECID CO[C@H](C)CN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033430167 PWIHLLFKQVIPQU-MNOVXSKESA-N 347.412 0.854 70 20 ECID CC(C)OCCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185731278 OZQYPDONWREKHM-LLVKDONJSA-N 347.412 0.902 70 20 ECID COC1([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOCC1 1338816522 MFGQMJVRSNLDNJ-VIFPVBQESA-N 334.369 0.987 70 20 ECID CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 160660239 KAMINIUKHATXGG-BZUAXINKSA-N 348.447 0.575 70 20 ECID CCc1ncnc(NCCCCN2CCN(CCO)CC2)c1F 159775566 CIQLNIBQZHUSHH-UHFFFAOYSA-N 325.432 0.980 70 20 ECID COCC(=O)NCC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC1 1062397901 PYPANILFKZQIIW-UHFFFAOYSA-N 347.368 0.088 70 20 ECID C[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)S(C)(=O)=O 857674237 GJQUYOUKDNSHQK-LURJTMIESA-N 327.330 0.856 70 20 ECID Cc1ccc(CC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cn1 160480064 GPPUETHJMQWAJF-ZIAGYGMSSA-N 325.434 0.767 70 20 ECID COc1ccc(N(C)C(=O)CN2CCS(=O)(=O)CC2)cc1F 159703421 FZESTCQPQDLZPJ-UHFFFAOYSA-N 330.381 0.528 70 20 ECID O=C(NCCCN1C(=O)CNC1=O)c1ccc(S(=O)(=O)F)cc1 865207820 QGEGMZVHKIYCRG-UHFFFAOYSA-N 343.336 0.017 70 20 ECID O=S(=O)(Cl)c1ccc(S(=O)(=O)N2CCOCC2)s1 100632881 GDSGVJSUKSRFJR-UHFFFAOYSA-N 331.824 0.697 70 20 ECID Cn1cc(O[C@@H]2CN(c3ccc(S(=O)(=O)F)cn3)C[C@H]2O)cn1 1550632152 DBTIRSNBZFPGHB-VXGBXAGGSA-N 342.352 0.102 70 20 ECID CC[C@@](C)(O)CNS(=O)(=O)c1ccc(CCNC(C)=O)s1 160317739 UJDLNSFMULVETM-CYBMUJFWSA-N 334.463 0.866 70 20 ECID CCN(C(=O)[C@H](C)N(C)C[C@H](O)C1CC1)[C@H]1CCS(=O)(=O)C1 160728320 OMLOSQANWBSBRC-UBHSHLNASA-N 332.466 0.113 70 20 ECID C#CCN1CCC2(CC1)C[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1016826626 QLACVTPVJPWDKV-CYBMUJFWSA-N 339.392 0.890 70 20 ECID CN(C(=O)NCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 217263748 OUMQUPBVMXGUTH-JTQLQIEISA-N 335.426 0.340 70 20 ECID C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 1026360389 LDTQPXQSRBIULT-KGYLQXTDSA-N 339.392 0.746 70 20 ECID COCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 968336039 QWTMVAJUWXUGDB-MFKMUULPSA-N 347.412 0.760 70 20 ECID C[C@@H](CC(=O)O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1592415972 VVZDIAYINXHREI-VIFPVBQESA-N 347.368 0.294 70 20 ECID CNC[C@@H]1CCCN1C(=O)CSCC(=O)Nc1cc(C)on1 161375085 CSGCZVJZSHHVQD-NSHDSACASA-N 326.422 0.865 70 20 ECID CCOC(=O)CN(CC(N)=O)C(=O)Cc1ccc(F)cc1Cl 160537768 AGCCXFPGOMJFHQ-UHFFFAOYSA-N 330.743 0.899 70 20 ECID CC(C)(C)N1C[C@@H](NC(=O)N2CCC[C@H]2C(=O)NC2CC2)CC1=O 159560404 NQDSNJHGPYEIPW-STQMWFEESA-N 336.436 0.838 70 20 ECID COC[C@@H](C)N1CC([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970437151 OMNDJVHMYVRKBQ-ZJUUUORDSA-N 347.412 0.758 70 20 ECID C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)[C@@H]1CN(C)CCO1 1338013489 UMOITMQQPKUYKB-RISCZKNCSA-N 344.408 0.723 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](CCNCCCO)C1 1754931715 KGEQXTKOTFWQSH-NSHDSACASA-N 347.412 0.497 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)CCCS(C)(=O)=O 160344292 YJOXVSWTBXSBJI-UHFFFAOYSA-N 334.482 0.628 70 20 ECID Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@@H]1CCCS1(=O)=O 159734709 GYHBQCUGCYVEMX-KGLIPLIRSA-N 340.449 0.943 70 20 ECID O=C(CC(CC(=O)NCCO)c1ccc(Cl)cc1)NCCO 159363544 BSGYWBBXDZIUHD-UHFFFAOYSA-N 328.796 0.421 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@H](C)C(=O)NCCF 1518179486 OQNNRKFWXGZDQB-VIFPVBQESA-N 334.344 0.857 70 20 ECID O=C(N[C@H]1CCC[C@H]1CNCCO)c1cc(S(=O)(=O)F)c[nH]1 1753893636 KQDHWRPLZIJQAB-ONGXEEELSA-N 333.385 0.153 70 20 ECID Cc1cc(NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)[nH]n1 160082009 NQPXLPFBACCOPJ-UHFFFAOYSA-N 328.332 0.224 70 20 ECID CC(C)CN(CC(N)=O)C(=O)c1ccc(=O)n(-c2ccccc2)n1 159733914 LORDYCMMOSNLSV-UHFFFAOYSA-N 328.372 0.816 70 20 ECID CO[C@@H](C)CN1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808167 CSGJLBNWKMABDA-QWRGUYRKSA-N 347.412 0.760 70 20 ECID CCc1nn(C)c(OC)c1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1338261769 XAYIPCUEIWNWPS-UHFFFAOYSA-N 344.368 0.907 70 20 ECID CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2CCCCO2)CC1 161195985 LKKPNECPVXAAGD-OAHLLOKOSA-N 325.453 0.958 70 20 ECID CCN1CCC(NC(=O)CN2CCN(c3ccncc3)CC2)CC1 161370396 XHLKDLJXHHZUEW-UHFFFAOYSA-N 331.464 0.804 70 20 ECID CN(C(=O)Cn1nc2ccccn2c1=O)c1ccc2c(c1)OCO2 160453224 NYJFIIYFABWKFY-UHFFFAOYSA-N 326.312 0.888 70 20 ECID COc1cc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc(OC)c1 217274190 NWCVVBCNEFCRRJ-UHFFFAOYSA-N 343.405 0.813 70 20 ECID CCC(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1012078774 MEOQORBGZRDUEY-WPRPVWTQSA-N 331.369 0.802 70 20 ECID CCO[C@@H](CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1 1133981156 KIZXHCMYVGTOMU-ZDUSSCGKSA-N 347.412 0.807 70 20 ECID Cc1nc(CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n[nH]1 1166871817 SIOXQAVYWYYACM-UHFFFAOYSA-N 344.372 0.009 70 20 ECID COC(=O)C[C@@]1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCOC1 1337485421 CEPVHXLBKFFXJG-AWEZNQCLSA-N 345.348 0.797 70 20 ECID Cc1conc1NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 161176912 NDBWODSKLHQFEG-LLVKDONJSA-N 346.318 0.982 70 20 ECID C[C@@H](CN(C)c1ncccn1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1109244711 WPOAIUHVCHDXSW-VIFPVBQESA-N 341.368 0.718 70 20 ECID C[C@@H](O)CN[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C 996307534 FESNCKCVVMXZRO-SKDRFNHKSA-N 347.412 0.494 70 20 ECID CNC(=O)C(C)(C)CNc1ccc(S(=O)(=O)NCC2CC2)cn1 161086729 FBVOCKDJJRZDQK-UHFFFAOYSA-N 340.449 0.954 70 20 ECID Cn1cnc2cc(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)ccc21 160518784 ICZZTCCMMQAYFA-GFCCVEGCSA-N 336.417 0.727 70 20 ECID CN1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc4c(c3)CCC4)C[C@@H]21 159700665 RZTKDYXXHGYCGS-IRXDYDNUSA-N 343.427 0.447 70 20 ECID COC[C@H](C)N1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033429684 KWNFQNXWNUSYER-QWRGUYRKSA-N 347.412 0.854 70 20 ECID C[C@@H]1CCN(CCCO)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 968333937 CANGDDMPRDTZNM-ZWNOBZJWSA-N 347.412 0.496 70 20 ECID CS(=O)(=O)C1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC1 1349533860 XGDZXNSAOFFZSF-UHFFFAOYSA-N 338.382 0.370 70 20 ECID O=C(NCCCOC[C@H]1CCCO1)c1cc(S(=O)(=O)F)c[nH]1 1351022966 MSPXUOFRBXHUJN-SNVBAGLBSA-N 334.369 0.988 70 20 ECID CC(C)[C@H](C(=O)NCC1CCN(CCO)CC1)N1CCCC1=O 160702738 KQQPUXRATQQCAC-MRXNPFEDSA-N 325.453 0.454 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1cc(-n2cccn2)ccn1 159961323 CCOGEJWLQUNRHB-OAHLLOKOSA-N 329.404 0.844 70 20 ECID COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-n2cncn2)c(C)c1 159790443 RNYFHZIXJLVBRP-HNNXBMFYSA-N 343.387 0.439 70 20 ECID O=C(NCC1CN(C[C@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1031983766 LKBQVDABXIDUGL-SNVBAGLBSA-N 345.396 0.371 70 20 ECID CC[C@H]1C(=O)NCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1337149645 UPNZXYNKEWOJRY-LBPRGKRZSA-N 328.365 0.624 70 20 ECID NC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccc1 1336405509 FRMBEIZSXMHFDK-NSHDSACASA-N 325.321 0.629 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(F)(F)[C@H](CO)C1 1521437615 IHHKOMZPCVWURE-ZETCQYMHSA-N 326.296 0.763 70 20 ECID CCN1CCC(NC(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 160338648 ZIVSVIQRLXIRBM-UHFFFAOYSA-N 329.422 0.744 70 20 ECID CCCN(CC1CC1)S(=O)(=O)NC[C@H](C)CN1CCOCC1 160389468 KJUWUEHMEWSIAG-AWEZNQCLSA-N 333.498 0.911 70 20 ECID CN1N=C(C(=O)Nc2cncc(OS(=O)(=O)F)c2)CCC1=O 1887521832 IZSITLSTZIGGDE-UHFFFAOYSA-N 330.297 0.221 70 20 ECID CO[C@H](C)CN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008547742 QQBXWQONUMUTCN-MNOVXSKESA-N 347.412 0.902 70 20 ECID COCCN[C@@H](C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1135488030 BGNSYRVCQOKMSH-VHSXEESVSA-N 335.401 0.806 70 20 ECID C[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CC#N 1071828452 OTFDDPLJIFVRGG-UWVGGRQHSA-N 328.369 0.779 70 20 ECID O=C(NNC(=O)c1ccccc1F)c1cc(S(=O)(=O)F)c[nH]1 1336412653 IRHJNZJOSYTSTF-UHFFFAOYSA-N 329.284 0.887 70 20 ECID C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N1CCCCC1=O 1351577648 FKHDOTGRNCEISL-VIFPVBQESA-N 331.369 0.804 70 20 ECID CC(C)N1CCN(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1752373715 ZQQQJLRKQXYHGP-UHFFFAOYSA-N 346.428 0.429 70 20 ECID COc1ccccc1S(=O)(=O)NCC1CCN(CCO)CC1 161384821 QLKQQJUFYZMPTF-UHFFFAOYSA-N 328.434 0.678 70 20 ECID Cc1ccc(F)c(OCC(=O)Nc2ncn(CC(=O)N(C)C)n2)c1 160809094 HPCJXWQJXXLVLS-UHFFFAOYSA-N 335.339 0.831 70 20 ECID CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H](N)CC(C)C)CC2 160879216 JTTHMEZYVOZFNQ-ZDUSSCGKSA-N 325.434 0.857 70 20 ECID NC(=O)[C@@H]1CCCN1C1CCN(CCOC[C@@H]2CCCO2)CC1 159373592 UVMOCQJAHWFGAN-HOTGVXAUSA-N 325.453 0.596 70 20 ECID Nc1n[nH]c(SC(F)(F)COS(=O)(=O)C(F)(F)F)n1 1327996311 NETGRFDAVCWWKW-UHFFFAOYSA-N 328.244 0.938 70 20 ECID Cc1nccc(NCCN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1101955422 KKBUCMOWVXSYQK-UHFFFAOYSA-N 341.368 0.955 70 20 ECID C#CCCN1C[C@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 978729704 ZFFPLPBZMGJLQF-STQMWFEESA-N 339.392 0.604 70 20 ECID C#CCN[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 981339333 FOSIOVCFBLBBLS-GHMZBOCLSA-N 327.381 0.937 70 20 ECID C[C@@H](NCC(=O)NCC(F)(F)F)c1cccc(-n2cnnn2)c1 160518728 WCEOTYRTJOWTHL-SECBINFHSA-N 328.298 0.991 70 20 ECID CCN1CCCN(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)CC1 159884563 QBBGUBROXRAEKQ-HNNXBMFYSA-N 339.484 0.311 70 20 ECID CC(C)CC(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004486926 FLAQUSMTDIIMJK-UHFFFAOYSA-N 345.396 0.907 70 20 ECID CC(=O)N[C@H]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015277846 YIGHUFBNADUCAJ-UWVGGRQHSA-N 331.369 0.708 70 20 ECID COC[C@H](C)N1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 961789259 MNBAYUYDEHCYAP-JMJZKYOTSA-N 345.396 0.368 70 20 ECID N#CCN[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C12CCC2 1078728322 GTDLEGCLRKJDLM-VXGBXAGGSA-N 340.380 0.827 70 20 ECID CC(C)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090576966 PIFPEIRMNNZLCG-PWSUYJOCSA-N 333.385 0.246 70 20 ECID CN(C)CCn1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1 1348406874 ZZGJCNOBDZYWHP-UHFFFAOYSA-N 329.357 0.683 70 20 ECID Cc1cccc(Cl)c1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 161056349 YCDKTVPCVXEIIN-UHFFFAOYSA-N 343.792 0.847 70 20 ECID C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCC2CCN(CCO)CC2)C1 161410629 AKCRXGXKFNJOML-ZIAGYGMSSA-N 333.498 0.503 70 20 ECID O=S(=O)(Cc1ccc(F)cc1)NCC1CCN(CCO)CC1 161416923 OICMIUTURUDXPV-UHFFFAOYSA-N 330.425 0.949 70 20 ECID COC[C@@H](O)CCNC(=O)c1cc(Cl)ccc1-n1cnnn1 161453781 LQNMDQOXENNNRD-JTQLQIEISA-N 325.756 0.443 70 20 ECID CC(C)N1CC[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1=O 160228441 DUDXHFHXFUZIDJ-INIZCTEOSA-N 345.447 0.918 70 20 ECID CCC[C@@H](CCO)CNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 160569239 KCLCRJHEAGALNE-QWHCGFSZSA-N 339.440 0.837 70 20 ECID CCN1CCCN(C(=O)NCCCN(CC)S(C)(=O)=O)CC1 159718598 WXKLTXSEKCEABF-UHFFFAOYSA-N 334.486 0.395 70 20 ECID Cn1cc(S(=O)(=O)NC[C@@H](O)C2CCCCC2)cc1C(N)=O 159584883 AUXQMACWHPMNPN-CYBMUJFWSA-N 329.422 0.344 70 20 ECID NC(=O)C[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1 1121122323 DYKCUIKRDJHXAB-NSHDSACASA-N 328.365 0.611 70 20 ECID COC(=O)[C@@H](O)CNC(=O)[C@@H](C)Oc1ccc(Br)cc1 217680832 KJSQLPSTSOOZRF-KCJUWKMLSA-N 346.177 0.867 70 20 ECID Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H]3CN)C2=O)cc1 160159521 NVFIVHLDEWWHKF-RDTXWAMCSA-N 344.415 0.712 70 20 ECID C#CCN1C[C@H]2[C@H](CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978727373 SGBJMJDYXWBBTG-CNDDSTCGSA-N 325.365 0.214 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@H](C)C(=O)NCCF 1518179485 OQNNRKFWXGZDQB-SECBINFHSA-N 334.344 0.857 70 20 ECID Cc1cnccc1CCNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 161347901 FZBNZVWHBBMDBY-OAHLLOKOSA-N 342.403 0.771 70 20 ECID COC(=O)C1CCN(C(=O)[C@H](C)N(C)C[C@@H]2CCC[C@@H]2O)CC1 159493904 ZZPXBGNHYJVORW-QEJZJMRPSA-N 326.437 0.879 70 20 ECID C[C@](NCCN1C(=O)NC2(CCCC2)C1=O)(C(N)=O)c1ccccc1 159931324 OLCBTNIVLNQFPH-QGZVFWFLSA-N 344.415 0.841 70 20 ECID CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1032634112 JUPMIWMDCJZETO-QWRGUYRKSA-N 325.365 0.595 70 20 ECID N#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1017958418 HHKPUCCPYWRHIQ-AOOOYVTPSA-N 326.353 0.485 70 20 ECID C=CCCN1C[C@@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958413386 OWDHJUSIYQFVSS-ZWNOBZJWSA-N 345.396 0.272 70 20 ECID CC(C)=CCN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1083786225 PLVSPLHBESOSEY-OLZOCXBDSA-N 345.396 0.414 70 20 ECID C[C@@H](O)CCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1267749674 RCUQZUSFHODGCL-GHMZBOCLSA-N 347.412 0.638 70 20 ECID CS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 160340072 WXVNTRIVAAYGRA-CQSZACIVSA-N 340.445 0.667 70 20 ECID C[C@H](CO)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 160489401 QAVPOQRRINWBSF-SNVBAGLBSA-N 334.825 0.800 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1CCN3CCCC[C@@H]3C1)CC2 160593662 HNXRTYFHAQLPQH-UONOGXRCSA-N 348.451 0.619 70 20 ECID COCCN(CC(F)F)C(=O)N[C@H]1CCc2nc(COC)nn2C1 160771471 KGTPGXIGHBFBDT-JTQLQIEISA-N 347.366 0.662 70 20 ECID COc1ccc([C@H](O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 159496355 MJSPPQWIGYEIIK-CYBMUJFWSA-N 325.390 0.749 70 20 ECID C[C@@H]1C[C@@H](NCC#N)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1044746369 HKTBFEFMFZFZAU-ZJUUUORDSA-N 328.369 0.779 70 20 ECID O=C(NCCNCC[C@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1133981222 KTKSXJMVUVSQMZ-JTQLQIEISA-N 333.385 0.419 70 20 ECID COc1cc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)on1 1133981069 GFZBUWYGQQUZRH-UHFFFAOYSA-N 346.340 0.189 70 20 ECID CC(=O)Nc1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1 1338942685 GRIXIGCXXKCCFC-UHFFFAOYSA-N 340.336 0.956 70 20 ECID COC[C@H](O)CCNC(=O)c1nn(-c2ccccc2)c(C)cc1=O 161268132 KFRPPXIIIBUDHN-CQSZACIVSA-N 331.372 0.668 70 20 ECID Cc1cc(C(=O)NCc2cccnc2N2CCN(C)CC2)ncn1 160788125 GRFOUCDVJYRMSL-UHFFFAOYSA-N 326.404 0.862 70 20 ECID CC(=O)N1CC[C@H](NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 159472450 RJOCZXPZZYLAHK-HNNXBMFYSA-N 340.383 0.642 70 20 ECID CN1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(F)c(F)c3)C[C@@H]21 159699974 VUFZMJJIGROHFW-UONOGXRCSA-N 339.342 0.236 70 20 ECID O=C(N[C@H]1C[C@@H](NC[C@@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1022730680 VJBZNYXPIMHVRF-GARJFASQSA-N 345.396 0.560 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1CNCCCO 1106675613 GHYGGWAPUWAGJO-GHMZBOCLSA-N 347.412 0.353 70 20 ECID C[C@@H](O)CN(C)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1027583624 XYCQYBPENYPSKL-MNOVXSKESA-N 347.412 0.590 70 20 ECID CCC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 943090839 IXJIFZRSWGWZCZ-UHFFFAOYSA-N 331.369 0.804 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CCc3[nH]ncc3C2)c1CC 160006584 CUGBFUVDNUVFEI-LLVKDONJSA-N 344.419 0.975 70 20 ECID O=C(NCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCn2ccnc2C1 160375034 RJRYUYCREAGSDQ-GFCCVEGCSA-N 338.367 0.858 70 20 ECID CN(CCNc1ncc(F)cn1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1101954424 ITLIAPOCASJPHS-UHFFFAOYSA-N 345.331 0.786 70 20 ECID CC(C)=CC(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999952883 FNSAEBVKGGOKBX-UHFFFAOYSA-N 329.353 0.580 70 20 ECID CCn1nncc1CNC(=O)Cc1ccc(S(=O)(=O)F)cc1 1338212132 KIVNNSPKRZLGFR-UHFFFAOYSA-N 326.353 0.815 70 20 ECID COC[C@@H](C)NC1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1755861838 KJDFPOIPARTCLU-KPPDAEKUSA-N 347.412 0.900 70 20 ECID CCOC(=O)CCCNC(=O)CN1CCN(c2ccncc2)CC1 161316796 VPALYIBPMMTNKW-UHFFFAOYSA-N 334.420 0.663 70 20 ECID COC(=O)CNC(=O)CCN1CCC([C@H](O)C(F)(F)F)CC1 161337178 OJDBBSYSQSQURD-LBPRGKRZSA-N 326.315 0.301 70 20 ECID CCC(=O)N1CC[C@@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 957625162 SIZYYDXFMRXGLP-CYBMUJFWSA-N 331.369 0.804 70 20 ECID CC#CCN1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 961785199 CPFCEJZHZQCTMY-GHMZBOCLSA-N 325.365 0.356 70 20 ECID CC[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1C[C@@H](C)O 1087728884 VQJVPEMJSPZAQV-SUZMYJTESA-N 347.412 0.636 70 20 ECID Cc1cnccc1CCNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 161348003 FZBNZVWHBBMDBY-HNNXBMFYSA-N 342.403 0.771 70 20 ECID COC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 159509359 QENGGZLMDUXFHA-ZWNOBZJWSA-N 326.780 0.816 70 20 ECID CN(C[C@H](O)COCc1ccccc1)S(=O)(=O)c1cnn(C)c1 159879172 RZHBRARFIDKJTB-AWEZNQCLSA-N 339.417 0.618 70 20 ECID CC(C)(F)C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004486895 FENRJYMIFAFHOP-UHFFFAOYSA-N 349.359 0.609 70 20 ECID O=C(NC1CCN(C(=O)C2CC2)CC1)c1cc(S(=O)(=O)F)c[nH]1 943266515 RWKSNCLEUGFIKL-UHFFFAOYSA-N 343.380 0.804 70 20 ECID CC(=O)N1C[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 970989186 SNENJYCRMGXMQJ-BXKDBHETSA-N 329.353 0.366 70 20 ECID O=C(O)Cn1ccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)n1 1595151502 BSUSDXKRYJJCLD-UHFFFAOYSA-N 327.293 0.878 70 20 ECID COC[C@H](O)CCNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 161297242 XXCYGSRQPLDNQE-QMTHXVAHSA-N 328.315 0.971 70 20 ECID CN1CC[C@@H](C(=O)N(C)CC(C)(C)CN2CCOCC2)CC1=O 160109734 ALMZAIQABGURHN-CQSZACIVSA-N 325.453 0.672 70 20 ECID CCS(=O)(=O)NCC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 159770885 WYDLJWQXPHRGLO-GFCCVEGCSA-N 343.424 0.708 70 20 ECID CC(=O)N1C[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1009903351 HROQUFHCLJSKJY-PSASIEDQSA-N 331.369 0.660 70 20 ECID C[C@@H](O)CN1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]2C1 1049067628 NBJYDPFUNVIMQE-MXWKQRLJSA-N 345.396 0.058 70 20 ECID C#CCN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C 996309993 MBVFBZRYVIPQPS-GFCCVEGCSA-N 327.381 0.746 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N=S1(=O)CCOCC1 1339245210 TWUMTEUPHAZDDK-UHFFFAOYSA-N 335.378 0.912 70 20 ECID COCCNC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1752806681 PYWDWMFEDJLSEL-NSHDSACASA-N 347.412 0.761 70 20 ECID NC(=O)c1cnn2c(C(=O)NCCCN3CCCCCC3)ccnc12 161088291 JJZARJAMOHJMKE-UHFFFAOYSA-N 344.419 0.824 70 20 ECID CC[C@H](C)[C@@H](NC(=O)CN1CCN(c2ccncc2)CC1)C(=O)OC 161370880 VGUJBAAMTIXEDN-WMLDXEAASA-N 348.447 0.908 70 20 ECID CS(=O)(=O)c1cccc(N2CCN(S(=O)(=O)Cl)CC2)c1 97950101 JLRJOANHSVGYGC-UHFFFAOYSA-N 338.838 0.696 70 20 ECID CNC(=O)Cn1nc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1C 1336961187 GDOMFCFPVFHLAW-UHFFFAOYSA-N 343.340 0.176 70 20 ECID NS(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1 1346197012 UFEFVGNFJZTHQE-UHFFFAOYSA-N 347.349 0.573 70 20 ECID Cc1cc(C[C@@H](C)NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n[nH]1 161384373 UIHNDJITPDTPOU-HTJBVVOSSA-N 342.399 0.572 70 20 ECID O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCCc1cccc(O)c1 160168017 NLUHKAJUMJXTQF-AZQPONJRSA-N 340.379 0.858 70 20 ECID CCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 160659898 KAMINIUKHATXGG-HRCADAONSA-N 348.447 0.575 70 20 ECID CCOCCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1208646789 SFEQNWCQXPQIML-ZWNOBZJWSA-N 347.412 0.760 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCN(CCCO)CC1 981977557 JFEBXMCGVHWMIE-UHFFFAOYSA-N 333.385 0.203 70 20 ECID C=CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090576630 NEVNXQDVTHBLAX-JQWIXIFHSA-N 331.369 0.024 70 20 ECID O=[N+]([O-])c1ccc(N[C@H](CO)c2cnn[nH]2)c(CS(=O)(=O)F)c1 1578049297 VPBHEGBFNLMAOJ-LLVKDONJSA-N 345.312 0.658 70 20 ECID O=C(Cn1ncc(=O)c2ccccc21)NC[C@H](O)CN1CCCCC1 160620695 RIKCGSVEUQJMNY-AWEZNQCLSA-N 344.415 0.360 70 20 ECID CC[C@@H](C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)N(C)C 160926384 WSUBTUGOUBKNKE-ZDUSSCGKSA-N 336.440 0.959 70 20 ECID CC(C)C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004486941 FMXWNGDWQJZMTP-UHFFFAOYSA-N 331.369 0.517 70 20 ECID CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1N(C)C 1346641423 GOVKHQXPSYTDPW-GHMZBOCLSA-N 335.426 0.791 70 20 ECID O=C(CN1CCN(C(=O)c2cccc(F)n2)CC1)N1CCCCC1 161168730 BVKHYCCJCXETGQ-UHFFFAOYSA-N 334.395 0.991 70 20 ECID CCCN(CCO)Cc1ccccc1S(=O)(=O)N1CCOCC1 161202687 YJCWPOURFCIMCG-UHFFFAOYSA-N 342.461 0.912 70 20 ECID CNC(=O)CN1CCN(S(=O)(=O)Cc2c(F)cccc2F)CC1 160773829 BWIJJUXAWQXSGM-UHFFFAOYSA-N 347.387 0.158 70 20 ECID C[C@@H](C(=O)N(C)CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)n1cccn1 159824392 XBDODNMGAIFDHE-YLQAJVPDSA-N 342.399 0.677 70 20 ECID C[C@@H](C(=O)N(C)CC(=O)N1CCC(NCC2CC2)CC1)n1cccn1 159858111 AAMCKLQTBAHUFP-AWEZNQCLSA-N 347.463 0.893 70 20 ECID C#CCCNC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1100684740 MYFOVTBBIKQFFO-UHFFFAOYSA-N 327.381 0.794 70 20 ECID C[C@@H](O)CN(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 972360184 WNHIFZNCSVHVMN-NXEZZACHSA-N 333.385 0.200 70 20 ECID CCS(=O)(=O)C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1 1338390776 SVLZTPFZGPWACT-SECBINFHSA-N 337.394 0.898 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](C)CS(C)(=O)=O 1527566581 VRMMZHSHIWUBGQ-QMMMGPOBSA-N 340.398 0.568 70 20 ECID Cc1ccc(S(=O)(=O)N(CCOCCO)CCN(C)C)s1 161309012 VVURCALGSWZKME-UHFFFAOYSA-N 336.479 0.618 70 20 ECID CS(=O)(=O)CCN(C(=O)CNC(=O)c1cccc(F)c1)C1CC1 160016040 DQBOSZDIGFOBRJ-UHFFFAOYSA-N 342.392 0.591 70 20 ECID O=C(NCCO)c1ccc(S(=O)(=O)NCc2cccs2)cc1 159385190 LOKAHAGNPRKOGS-UHFFFAOYSA-N 340.426 0.949 70 20 ECID O=C(NCCNS(=O)(=O)Cc1ccon1)NCC1(C2CC2)CC1 159386175 PJLABWVRKAPWJW-UHFFFAOYSA-N 342.421 0.583 70 20 ECID CC(C)(O)CN1CCN(C(=O)CN2CCCCCCC2=O)CC1 216956136 QUCRBOSFMSCWNZ-UHFFFAOYSA-N 325.453 0.694 70 20 ECID COCCN1C[C@@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978717930 JVGCAUAQPXZSGL-VXGBXAGGSA-N 345.396 0.227 70 20 ECID O=C(CNC[C@H]1CCCO1)N1CCN(Cc2cccc(F)c2)C(=O)C1 161005619 GNMFQWUYIIXSBH-MRXNPFEDSA-N 349.406 0.765 70 20 ECID COC(=O)CCN1CCN(C(=O)c2cnc3c(c2)ncn3C)[C@H](C)C1 161101264 FJMYEWDIDLASHL-GFCCVEGCSA-N 345.403 0.678 70 20 ECID Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC(O)C2)s1 161484880 CVGMQFWDHXYRJV-LLVKDONJSA-N 330.431 0.413 70 20 ECID NC(=O)C1(CNC(=O)c2cccc(-c3ncn[nH]3)c2)CCOCC1 160170432 WEYCOLHQJVFDLO-UHFFFAOYSA-N 329.360 0.484 70 20 ECID CCOCCN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1113354051 WHHROTXOCQCRRR-UHFFFAOYSA-N 333.385 0.467 70 20 ECID C[C@H](O)CNCC1(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1167257844 LBVNBYRYQFDOSQ-JTQLQIEISA-N 347.412 0.543 70 20 ECID C[C@@]1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCS(=O)(=O)C1 1336922753 VUPUUPFOCJOSHN-GFCCVEGCSA-N 335.378 0.652 70 20 ECID Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)F)c2)cn1 1336949086 IDHIIEAXOZAEET-UHFFFAOYSA-N 326.309 0.153 70 20 ECID COC(=O)[C@@H](CC(F)F)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1263760653 JBPSXZYJHOXJDY-SSDOTTSWSA-N 328.268 0.600 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN([C@H]2CCC[C@@H]2O)CC1 1345746757 FBQGKNQAMCYIAS-STQMWFEESA-N 345.396 0.344 70 20 ECID NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1519746376 VOTFOTCROGVIPY-ARENWVFISA-N 329.353 0.399 70 20 ECID CN(Cc1cccn1C)C(=O)CN1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 161007033 SKUFIERYOWTELC-NZBPQXDJSA-N 331.372 0.146 70 20 ECID CCCC1(CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 160577651 PNSSXBBDKVXVLW-UHFFFAOYSA-N 330.388 0.942 70 20 ECID Cc1ccc(-n2ccnc2)c(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 160987519 BAGYFMJBRFDXLH-SWLSCSKDSA-N 328.372 0.943 70 20 ECID O=C1CNCCN1CC(=O)N1CC[C@@H](COCc2ccccc2)C1 161329289 XPFPTUIYHNDVBB-MRXNPFEDSA-N 331.416 0.484 70 20 ECID COC[C@H](O)CCNC(=O)Cn1cc(Br)ccc1=O 161453424 ORKZUUYIMKLAPU-SNVBAGLBSA-N 333.182 0.124 70 20 ECID CC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1009761403 VMKJAQFQDWPZLK-QPUJVOFHSA-N 347.368 0.039 70 20 ECID CCC(=O)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](OC)C1 946797832 RKQNLXJVEMQUSD-GHMZBOCLSA-N 347.368 0.039 70 20 ECID CC(C)C(=O)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 959672624 INCQBEITWJMXPT-BXKDBHETSA-N 345.396 0.906 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@H]1CCS(=O)(=O)C1 1120830284 OIOQNJYXDQAPBC-JTQLQIEISA-N 335.378 0.191 70 20 ECID C[C@@H]1C[C@@H](CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1133976375 NDOTZJBRAOOFEW-MNOVXSKESA-N 347.412 0.807 70 20 ECID C[C@H]1C[C@@H]1CC(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999957311 WKVCIQPCMSJUSP-DTWKUNHWSA-N 343.380 0.660 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)CCN1CCCC1=O 160005581 XCGVDYAXZSNIRV-UHFFFAOYSA-N 325.453 0.816 70 20 ECID CCC[C@@H]1CN(C(=O)NCC(=O)N2CCCC2)CCN1CCOC 160097962 DIDQOEDQNJVDKP-OAHLLOKOSA-N 340.468 0.751 70 20 ECID CCCC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 948097366 RFMSYJQUYCAWAH-YDEJPDAXSA-N 343.380 0.802 70 20 ECID C#CCN1CC[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 1042238430 TYZJCZSHBWJMMQ-RISCZKNCSA-N 339.392 0.843 70 20 ECID CCNC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1078470015 DHRJRDRRLCISJW-JTQLQIEISA-N 333.385 0.514 70 20 ECID CC[C@@H](OC)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999950906 BSPHEOVKDXSINR-LLVKDONJSA-N 347.368 0.039 70 20 ECID C=CCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090575678 HABWPOVEYHRHHI-WCQYABFASA-N 345.396 0.414 70 20 ECID CN(C)C[C@](C)(C#N)NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337447195 DJZZVBIXTZQBLE-AWEZNQCLSA-N 327.381 0.847 70 20 ECID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nnnn1C1CC1 1347084415 XDSUVHIZWAJLHL-ZCFIWIBFSA-N 328.329 0.485 70 20 ECID Cc1conc1NC(=O)C(=O)N1CCN(c2ccc(O)cc2)CC1 160303871 IVMBMAUZWPKEME-UHFFFAOYSA-N 330.344 0.976 70 20 ECID Cc1c(C(=O)N(C)CCN2CCOCC2)cnn1C1CCOCC1 160514919 KEOPECRNAPYXNA-UHFFFAOYSA-N 336.436 0.947 70 20 ECID Cn1cnnc1CN1CCC(NS(=O)(=O)c2ccccc2)CC1 160734620 SFMAVGOWARAXFV-UHFFFAOYSA-N 335.433 0.758 70 20 ECID Cn1ccc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)n1 159447506 XXKZWADUAUIZRA-UHFFFAOYSA-N 342.403 0.883 70 20 ECID Cc1cc(NC(=O)CCN2CCC(N3CCC[C@H]3C(N)=O)CC2)no1 159381267 FQXZMHBHUDPDDQ-AWEZNQCLSA-N 349.435 0.726 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCN(C(=O)C2CC2)C1 936323758 LKQJNRHCCHKUCW-SNVBAGLBSA-N 343.380 0.756 70 20 ECID O=C(NC1CN(C[C@H]2CCCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030966297 PIAWWQPYUXSWMA-SNVBAGLBSA-N 345.396 0.514 70 20 ECID CN1C(=O)[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)F)cc3)C[C@@H]2C1=O 893171700 YGPYMNWBCRCTNI-PHIMTYICSA-N 340.332 0.032 70 20 ECID C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 966024218 OOLNUEXVHHRFAM-PELKAZGASA-N 343.380 0.660 70 20 ECID O=C(NCCNC[C@@H]1C[C@]12CCOC2)c1cc(S(=O)(=O)F)c[nH]1 1133981572 UHYUTHILRQNPAE-HZMBPMFUSA-N 345.396 0.419 70 20 ECID O=C(OCC(=O)N1CCOCC1)c1cccc(S(=O)(=O)F)c1 1332352835 UVQXQLOYXVQOBQ-UHFFFAOYSA-N 331.321 0.360 70 20 ECID CCOCCN1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1197179588 BVURIBUVCWIJSE-UHFFFAOYSA-N 347.412 0.857 70 20 ECID CC1(O)CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 161263840 BOISZZCSBMBJHZ-UHFFFAOYSA-N 332.447 0.790 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCn1ccccc1=O 160631498 CILAKHFGAWWERC-QWHCGFSZSA-N 341.433 0.073 70 20 ECID COC[C@@H](O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 159466768 ARMBAJNZZTZDJJ-BBRMVZONSA-N 333.388 0.339 70 20 ECID CN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ncc(F)cn1 1100330307 LKBCLBVNYFMYAL-UHFFFAOYSA-N 345.331 0.468 70 20 ECID O=C(N[C@H]1[C@H]2C[C@H]1N(CC1CC1)C2)c1cc(S(=O)(=O)F)c[nH]1 1037584393 HZLDSIGHJOFAAR-BIMULSAOSA-N 327.381 0.885 70 20 ECID N#CCN1C[C@@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978716863 HKVQFCXBYFKCTI-GHMZBOCLSA-N 326.353 0.104 70 20 ECID CCOC(=O)c1nc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c[nH]1 1263854692 MZYXKMBUVCDUDW-UHFFFAOYSA-N 330.297 0.825 70 20 ECID CCCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CC(=O)N(C)C1=O 1347339847 IUNAJHCCFCUSLS-JTQLQIEISA-N 345.352 0.282 70 20 ECID O=C(O)C1=NO[C@@]2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 1608589248 DMYNNKAJKYVYRA-LBPRGKRZSA-N 345.308 0.119 70 20 ECID CCOCCCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1566773819 SRBAMVKJQKRHJN-NSHDSACASA-N 347.412 0.904 70 20 ECID CO[C@@H](C)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015716229 QBZVTWHHWUBUOU-UWVGGRQHSA-N 333.385 0.512 70 20 ECID CC(F)(F)C(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 990060976 MHNGTXVYCRQEOI-UHFFFAOYSA-N 339.295 0.269 70 20 ECID O=C(N[C@@H]1CCN(CC(F)F)C1)c1cc(S(=O)(=O)F)c[nH]1 1346848102 GRWQLPLIBBLEQW-SSDOTTSWSA-N 325.312 0.742 70 20 ECID COC(=O)Cn1cc(CCN2CCN(c3ccc(O)cc3)CC2)nn1 161016080 JOBIPXJVGWJEFF-UHFFFAOYSA-N 345.403 0.521 70 20 ECID Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCn2cccc2)c1 160249762 YKJZWMJFEACSBN-UHFFFAOYSA-N 339.359 0.527 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H](C)OC(C)(C)C1)CC2 160637579 VXBHZYALLGDHTR-VXGBXAGGSA-N 337.424 0.948 70 20 ECID CC(=O)N1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)C1 159691452 FNCYIQYZCGHLBE-STQMWFEESA-N 333.363 0.916 70 20 ECID CCOC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)C1 217288439 IEBNCFNRPJLIBQ-QWHCGFSZSA-N 325.409 0.980 70 20 ECID N#CCN1CC[C@@]2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 1041685274 GYNUXQWRRBHTKT-CQSZACIVSA-N 340.380 0.734 70 20 ECID CC(C)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O 1338069788 YHHHNMISYSDGMG-UHFFFAOYSA-N 331.369 0.613 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(COC)CC1)CC2 161157159 QLSJZSHZUUREEQ-ZDUSSCGKSA-N 337.424 0.807 70 20 ECID Cc1ccc([C@@H](CNC(=O)C2(NC(N)=O)CC2)N2CCOCC2)cc1 161377314 VGVZTEUCAUDQKA-OAHLLOKOSA-N 346.431 0.685 70 20 ECID CN(CCCn1ccnc1)C(=O)c1coc(S(=O)(=O)N(C)C)c1 160068987 MNCNGKXSQUOQCW-UHFFFAOYSA-N 340.405 0.889 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)co1 160422357 NGGMUSVXEODKFN-GXTWGEPZSA-N 336.369 0.576 70 20 ECID O=C(CNC(=O)[C@H]1CCn2ccnc2C1)NCCc1ccccc1 160989655 QNNQXNVSTMQQBP-HNNXBMFYSA-N 326.400 0.921 70 20 ECID COc1ccc(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)nn1 159713992 OSHXGVJNGQRYNO-CYBMUJFWSA-N 331.376 0.840 70 20 ECID CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 974416337 YFXLGMPYTPVCMR-JTQLQIEISA-N 331.369 0.661 70 20 ECID CC(=O)N(C)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 984665386 QJVLYRPQUBGSIW-JTQLQIEISA-N 331.369 0.756 70 20 ECID Cc1cc(CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)no1 1166871759 QIADBSRSCCJLDM-UHFFFAOYSA-N 344.368 0.879 70 20 ECID COC(=O)c1ccc2[nH]cc(C(=O)CN3CCNC(=O)[C@H]3C)c2c1 160855104 ASTVLFDDQLNTQT-SNVBAGLBSA-N 329.356 0.958 70 20 ECID CN(CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H]1CCC[C@@H]1O 159452844 ZSRUQOMDXUGQOK-CVEARBPZSA-N 347.463 0.608 70 20 ECID Cc1cccc(NC(=O)NCC(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)c1 159658235 OVVMTPACAQRTMB-CABCVRRESA-N 332.404 0.658 70 20 ECID O=C1C[C@H](c2nc(C3CC3)no2)CN1C1CN(S(=O)(=O)F)C1 1887497641 REMRDTPMSYHWCF-QMMMGPOBSA-N 330.341 0.161 70 20 ECID C[C@@H](CCCCNCCCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1175314919 CIPQRXIZMKONHA-NSHDSACASA-N 349.428 0.934 70 20 ECID CCCc1cc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)[nH]n1 160442743 HQKNWKNEFYNCSO-CMPLNLGQSA-N 328.438 0.810 70 20 ECID C[C@@H](C(=O)N(C)Cc1cccn1C)N1C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 160498141 NUBMLVAQCCFVIL-MFGQWXODSA-N 345.399 0.534 70 20 ECID CCCN(CC1CC1)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 160827562 QDJDPZRJPQWGPZ-UHFFFAOYSA-N 333.498 0.742 70 20 ECID O=C1C[C@@H](C(=O)NC[C@@H](c2cccs2)N2CCOCC2)CCN1 159676398 AWTZOQQXLYIISL-STQMWFEESA-N 337.445 0.764 70 20 ECID CNS(=O)(=O)c1cccc([C@@H](C)NCCN(C)CCOC)c1 159378820 IXRXCDBYLXOYEC-CYBMUJFWSA-N 329.466 0.824 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CC(=O)N(C)C[C@H]1C 1337391588 ZCGMZJLPSWLHQY-SNVBAGLBSA-N 328.365 0.956 70 20 ECID CC(C)(CO)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1349371592 ZMTLNEDNODIFTI-UHFFFAOYSA-N 333.385 0.202 70 20 ECID NC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccn1 1520006901 KZCFBQHFCLQCQL-JTQLQIEISA-N 326.309 0.024 70 20 ECID CNC(=O)c1ccc(CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 159401103 APJPMLPRFLCDHE-QGZVFWFLSA-N 344.459 0.960 70 20 ECID Cn1cc(N2CCN(C(=O)c3cccc4[nH]c(=O)oc34)CC2)cn1 159695791 GFTRCCUBYYGWMP-UHFFFAOYSA-N 327.344 0.817 70 20 ECID Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2cn(C)c(C)n2)c1 159934209 ZOZXWSXJJAQCFG-CYBMUJFWSA-N 339.417 0.755 70 20 ECID C#CCCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008546126 HPHKLNFFNQUNCB-LLVKDONJSA-N 327.381 0.890 70 20 ECID CCn1[nH]cnc1=NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460095542 PCDQUOTWQAVVMY-UHFFFAOYSA-N 334.354 0.179 70 20 ECID CC[C@@H](CN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)OC 1030972142 NUIQFAYSEYOHJW-JTQLQIEISA-N 333.385 0.512 70 20 ECID O=C(N[C@@H]1CCN(C(=O)C2CCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 942441201 BJEKOMLJJYZJCC-SNVBAGLBSA-N 343.380 0.804 70 20 ECID O=C(NC[C@@H]1COCCN1CC1CC1)c1cc(S(=O)(=O)F)c[nH]1 1051116489 JNZWMFMUUBDXFV-LLVKDONJSA-N 345.396 0.514 70 20 ECID CO[C@@H](C)CN(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192399292 XYEUEMJFKJQRDG-WDEREUQCSA-N 347.412 0.854 70 20 ECID O=C(NCc1nc2ncccn2n1)c1cccc(S(=O)(=O)F)c1 1517957905 SXYUVDBHVYFOJG-UHFFFAOYSA-N 335.320 0.713 70 20 ECID NC(=O)NC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1527341589 RCVGUXUPFSRZHJ-QMMMGPOBSA-N 332.357 0.193 70 20 ECID NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cnc(-c3ccccc3)nc2)O1 161025771 FOZXLYWXPJHCKO-KGLIPLIRSA-N 326.356 0.906 70 20 ECID CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 161134041 RKNXAIYMLUJXLB-YPMHNXCESA-N 329.422 0.769 70 20 ECID COCCCS(=O)(=O)N1CCN(CC(=O)c2cccn2C)CC1 160011049 XBXLTSZYKBWESL-UHFFFAOYSA-N 343.449 0.192 70 20 ECID Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2cnn(C)c2)c1 159914210 QKLGOPZATRTPSG-LBPRGKRZSA-N 325.390 0.447 70 20 ECID CC(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 945530482 OVOYLNFIRVDATA-KCJUWKMLSA-N 331.369 0.660 70 20 ECID CCNC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1336962159 SBEMKPBIAWUQHN-QMMMGPOBSA-N 332.357 0.207 70 20 ECID COCCCS(=O)(=O)NCC(=O)N1CCc2c(F)cccc2C1 161126363 RZTXMOFVVWFBLQ-UHFFFAOYSA-N 344.408 0.666 70 20 ECID NC(=O)[C@H]1CCCN(C(=O)/C=C/C(=O)Nc2ccc3[nH]ncc3c2)C1 161233100 DHPPBJAJJNYEOD-QRGHLMKCSA-N 341.371 0.782 70 20 ECID C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3nncn3C)CC2)C1 160721786 NPRAKTQYHORADZ-GASCZTMLSA-N 334.468 0.437 70 20 ECID CCC(=O)N1CC[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 160752326 OVQKRQFWEDYWGX-MRXNPFEDSA-N 345.447 0.920 70 20 ECID Cn1cnc(-c2ccc(NC(=O)N3CCN(CCO)CC3)cc2)n1 160945977 PIRUSGXINBJVNN-UHFFFAOYSA-N 330.392 0.624 70 20 ECID C#Cc1cc(OS(=O)(=O)F)cc(C(=O)N2CC(=O)N[C@@H](C)C2)c1 2088591914 UMSPEXVYTUMPIY-VIFPVBQESA-N 340.332 0.222 70 20 ECID C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942441273 DMRITZXXTZWWPS-RKDXNWHRSA-N 342.352 0.163 70 20 ECID CO[C@H](C)CN1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961792479 WSEUZQMJLYXMSF-GOONRYMUSA-N 345.396 0.368 70 20 ECID C[C@H]1CN(C)C(=O)CN1C(=O)CCc1ccc(S(=O)(=O)F)cc1 1338858475 ZXBMLFYTRWYLBB-NSHDSACASA-N 342.392 0.967 70 20 ECID COC(=O)[C@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2C)CCOC1 1337999639 RMBJVEXJKDIRAF-AWEZNQCLSA-N 345.348 0.715 70 20 ECID CCNCC1CCN(C(=O)[C@H](NS(C)(=O)=O)[C@@H](C)CC)CC1 161091561 MQERKWINMJQPDG-GXTWGEPZSA-N 333.498 0.798 70 20 ECID NC(=O)[C@@H]1CCCN(C(=O)/C=C/C(=O)Nc2ccc3[nH]ncc3c2)C1 161233211 DHPPBJAJJNYEOD-MVIFTORASA-N 341.371 0.782 70 20 ECID CC[C@H](NC(=O)CN1CCS(=O)(=O)CC1)c1c(C)noc1C 160457537 NVQIQAOUDAEVKY-LBPRGKRZSA-N 329.422 0.589 70 20 ECID CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@]1(C)CC 159483683 RPCNGGODOHDWGK-XUJVJEKNSA-N 330.450 0.574 70 20 ECID CC(C)CS(=O)(=O)CC(=O)N(C)CC(C)(C)CN1CCOCC1 159978221 IYVIERMSNFNXRZ-UHFFFAOYSA-N 348.509 0.874 70 20 ECID C#CCCN1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028809467 WRUUYYJIQJQCNC-LLVKDONJSA-N 327.381 0.748 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C2CCOCC2)CC1 1338391203 VZAZHTWJKPVXBV-UHFFFAOYSA-N 345.396 0.610 70 20 ECID COCCNC(=O)C1(NC(=O)c2cccc(S(=O)(=O)F)c2)CC1 1338816705 OSUHEMKOGBLKLQ-UHFFFAOYSA-N 344.364 0.370 70 20 ECID O=C(CN1CCN(C(=O)c2ccnc(Cl)c2F)CC1)NC1CC1 161067037 IKZCQHDSGUUVOD-UHFFFAOYSA-N 340.786 0.911 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N(C)C[C@@H]1CCCCO1)CC2 160552595 GTXNDKJLMINSRW-STQMWFEESA-N 337.424 0.950 70 20 ECID Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12 159921172 YFESQHMPBHZZBT-YUSALJHKSA-N 328.390 0.923 70 20 ECID CN(C)C(=O)CCNC(=O)c1cncc(I)c1 159973698 LXVRMBAIWFWMAO-UHFFFAOYSA-N 347.156 0.894 70 20 ECID CN(C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 217285907 OPTNDTCJOSQGDF-GHMZBOCLSA-N 331.438 0.214 70 20 ECID C[C@H](O)CN1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1024652805 VYDBVERWQSPWDF-WDEREUQCSA-N 347.412 0.638 70 20 ECID CCC(=O)NC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 948453726 PAIDKRASFMKUHC-UHFFFAOYSA-N 331.369 0.804 70 20 ECID CC(C)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1078470341 MUOISFXAMGMKOP-LLVKDONJSA-N 347.412 0.902 70 20 ECID N#CCN[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 981340581 OGPVHTLNVRQLNU-ZJUUUORDSA-N 328.369 0.827 70 20 ECID CCNC(=O)[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)F)cc1 1262687368 LTWUEXKLWWXDTP-JTQLQIEISA-N 330.381 0.918 70 20 ECID CN(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1351946551 MDNGMCYRMUOSKF-VIFPVBQESA-N 346.384 0.549 70 20 ECID CCC(N)(CC)CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1 160558636 OPSSRAATLWTVQB-UKRRQHHQSA-N 335.452 0.963 70 20 ECID CC#CCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141824 RNPRBCAWIDPVKI-NSHDSACASA-N 327.381 0.890 70 20 ECID C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1049726961 HOVHQAPHKREBQZ-KGLIPLIRSA-N 339.392 0.985 70 20 ECID Cc1oncc1CN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1030966725 YJUNNRVLFLRRGO-UHFFFAOYSA-N 342.352 0.584 70 20 ECID CC(=O)N1CC[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 953447286 ZGALTXJVBPJYMD-MFKMUULPSA-N 343.380 0.756 70 20 ECID COC[C@@H](C)N1CC[C@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046628841 RVTZRTUWXCVRJU-YGRLFVJLSA-N 347.412 0.902 70 20 ECID CC(C)c1nncn1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348647959 YECCVXPXSWKEEN-UHFFFAOYSA-N 329.357 0.818 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C[C@H]2CCCO2)CC1 1527391725 UWIPYFHHTYGRPZ-LLVKDONJSA-N 345.396 0.610 70 20 ECID CCNC(=O)c1ccc(N[C@H]2CCc3nc(COC)nn3C2)nc1 161341650 HHPNXVPRFPNPSG-LBPRGKRZSA-N 330.392 0.996 70 20 ECID CCc1cnc(NC(=O)N(CCO)CCN2CCOCC2)s1 161504084 YYOKSJSXNFFKJA-UHFFFAOYSA-N 328.438 0.864 70 20 ECID CN1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)C[C@@H]21 159708837 VFXUFABZZZVUCV-UONOGXRCSA-N 339.342 0.236 70 20 ECID O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1CCS(=O)(=O)F 916623049 ZGOMRHUCMSRKLY-AWEZNQCLSA-N 326.349 0.765 70 20 ECID CN(C(=O)c1ccc(S(=O)(=O)F)cc1)[C@H]1CCS(=O)(=O)C1 864238426 JUTRAOWJKBNXGA-JTQLQIEISA-N 335.378 0.604 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@@H]([C@@H]2CCCO2)C1 1123648566 MFVQNVQBONIEEH-NWDGAFQWSA-N 332.353 0.693 70 20 ECID COCCN1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C 1071827803 DLZQTVJRZPCRRT-GHMZBOCLSA-N 347.412 0.902 70 20 ECID Cc1noc(CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1166871854 URKVASNNNKWLQF-UHFFFAOYSA-N 345.356 0.274 70 20 ECID C[C@@H](NC(=O)CN1CCC([C@H](O)C(F)(F)F)CC1)C(=O)N(C)C 161345865 BODDIEXECYFHLF-SKDRFNHKSA-N 339.358 0.215 70 20 ECID O=S(=O)(NCC1CCN(CCO)CC1)c1ccc(F)cc1F 161414309 UOZQHJBQZNMJRX-UHFFFAOYSA-N 334.388 0.947 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N(C)C[C@H]1CCCCO1)CC2 160552728 GTXNDKJLMINSRW-QWHCGFSZSA-N 337.424 0.950 70 20 ECID O=S(=O)(NC[C@H](O)COCC1CC1)c1c[nH]c2ncccc12 160710153 DHIIFYSVMHXBEQ-NSHDSACASA-N 325.390 0.629 70 20 ECID CN(C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 217285909 OPTNDTCJOSQGDF-MNOVXSKESA-N 331.438 0.214 70 20 ECID CCC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 939726389 NVZKEXPHUYQZQL-SECBINFHSA-N 331.369 0.756 70 20 ECID O=C(NC[C@@H]1CN(CCF)CCO1)c1cc(S(=O)(=O)F)c[nH]1 1035512669 XTLVKILPIYYYDG-SECBINFHSA-N 337.348 0.073 70 20 ECID CCCN1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035511314 PUXXBJRLUHPDAF-JTQLQIEISA-N 333.385 0.514 70 20 ECID C[C@H](O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1096026209 PQIMQJPPVVNCKS-PKCZLINISA-N 345.396 0.389 70 20 ECID O=C1CCC2=C(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)N1 1347809431 OEMSJIQJLKPHPT-UHFFFAOYSA-N 327.337 0.683 70 20 ECID O=C1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1351577107 BYUVTIXEDMGQKP-JQWIXIFHSA-N 344.364 0.883 70 20 ECID O=C(NCCCCN1CCC[C@@H]1CO)c1cc(S(=O)(=O)F)c[nH]1 1351579892 YCSGKFMXSNFQGF-LLVKDONJSA-N 347.412 0.640 70 20 ECID CN(C)C(=O)OC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1351946975 SONXKTVJEXYWFR-UHFFFAOYSA-N 347.368 0.976 70 20 ECID C[C@H](C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)N1CCc2ccccc2C1 161080640 KLUSUJSCMBCXHF-UHOFOFEASA-N 331.416 0.582 70 20 ECID CC(C)N1CC[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1=O 160228542 DUDXHFHXFUZIDJ-MRXNPFEDSA-N 345.447 0.918 70 20 ECID CC(C)c1cc(=O)n(CC(=O)N[C@@H](C)C(=O)N2CCCCC2)cn1 160704821 RMAFIODAOBCYGG-ZDUSSCGKSA-N 334.420 0.884 70 20 ECID COC[C@H](O)CCNC(=O)CCn1cnc2sccc2c1=O 160894272 CXEGXONXVVIYIX-SNVBAGLBSA-N 325.390 0.362 70 20 ECID CC(=O)NC[C@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 159731137 XQEKFJGURULLCT-CQSZACIVSA-N 336.436 0.699 70 20 ECID O=C(N[C@H]1C[C@@H](Nc2ncccn2)C1)c1cc(S(=O)(=O)F)c[nH]1 1059825512 VRDBCVCYBSGVSW-DTORHVGOSA-N 339.352 0.836 70 20 ECID COC(=O)[C@@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CCOC1 864242788 RAOKJPNYPHCNBJ-CYBMUJFWSA-N 331.321 0.407 70 20 ECID CN(CCN1CCOC(C)(C)C1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123728618 XVTPUDFOGPHFHW-UHFFFAOYSA-N 347.412 0.856 70 20 ECID C[C@@H](CCNC(=O)[C@H]1C[C@@H]1C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1077862966 CVPPENYBNFCBOQ-QXEWZRGKSA-N 345.396 0.954 70 20 ECID O=C(NC1CN(C(=O)c2ccco2)C1)c1cc(S(=O)(=O)F)c[nH]1 999955761 RNJHNMJTMBEFJX-UHFFFAOYSA-N 341.320 0.520 70 20 ECID C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)c1ncn(C)n1 1354911536 MVQMMULMIGLNCW-SECBINFHSA-N 326.353 0.893 70 20 ECID CCNCC1CCN(C(=O)[C@@H](NS(C)(=O)=O)[C@@H](C)CC)CC1 161091310 MQERKWINMJQPDG-JSGCOSHPSA-N 333.498 0.798 70 20 ECID COC[C@@H](O)CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 161201287 KICKZXZEMVLYPF-BBRMVZONSA-N 336.436 0.914 70 20 ECID CN(C)S(=O)(=O)c1cc(C(=O)NCc2ncccc2F)co1 161325838 BVXTYBOJJBQTIM-UHFFFAOYSA-N 327.337 0.994 70 20 ECID Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](N)C2)cc1C 160312610 DGWKHAMVGLFITC-CYBMUJFWSA-N 325.434 0.531 70 20 ECID CN1CCO[C@@H]2CN(C(=O)CNC(=O)c3cccc(Cl)c3)C[C@@H]21 159721743 VQSGDABNRJIIHP-UONOGXRCSA-N 337.807 0.611 70 20 ECID Cn1cc(S(=O)(=O)NC[C@@H](O)COc2ccc(F)cc2)cn1 159962204 KPDYAMLRGDXYTE-LLVKDONJSA-N 329.353 0.277 70 20 ECID C#CCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1036196381 VMKHPXJETPRMFT-ZYHUDNBSSA-N 327.381 0.746 70 20 ECID C[C@H]1CC[C@@H](CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1166871678 NOXOCXNDRCIBPA-QWRGUYRKSA-N 347.412 0.950 70 20 ECID CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1nncn1C 1262788298 YDTFKTJSGDPKIZ-JTQLQIEISA-N 329.357 0.929 70 20 ECID CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 161406811 XRDJCIHKIJNRGR-HNNXBMFYSA-N 347.463 0.458 70 20 ECID CC(C)[C@H]1CN(C)CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 160301531 RILVVTVMCLZZLN-HUUCEWRRSA-N 348.451 0.507 70 20 ECID Cc1nc2ncnn2c(C)c1CCC(=O)N(CC(N)=O)CC(C)C 159783132 SKUNWLJNKRDKNJ-UHFFFAOYSA-N 332.408 0.644 70 20 ECID C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164658 YXJMNSHCCRXIMC-IUCAKERBSA-N 342.352 0.163 70 20 ECID C[C@H]1CCC[C@@H](C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 160493033 UVCPBVQHQQVNEF-YNEHKIRRSA-N 330.450 0.574 70 20 ECID Cc1nn(CC(=O)NCC2CCN(CCO)CC2)c(C)c1Cl 160544507 RHNQQJATGYPADN-UHFFFAOYSA-N 328.844 0.974 70 20 ECID COC[C@H](NC(=O)Nc1cnn(CCN2CCOCC2)c1)C1CC1 160699999 FSGUJOFVHHCIKU-HNNXBMFYSA-N 337.424 0.762 70 20 ECID COc1cccc(CC(=O)N2CCN(Cc3nncn3C)CC2)c1 160856955 UKCQFIUMXCKNLA-UHFFFAOYSA-N 329.404 0.711 70 20 ECID CC1(C)CN(CCCO)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 975050984 RYTSEVMFCFRBGE-GFCCVEGCSA-N 347.412 0.496 70 20 ECID NC(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)c1ccccn1 1262788081 RSPAHTRKKFWILM-GFCCVEGCSA-N 337.332 0.696 70 20 ECID CNC[C@H]1CCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 161284424 KMLKILCRJVLZLH-LLVKDONJSA-N 336.417 0.562 70 20 ECID CN[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 160516007 HZMBIYFDUXGINP-LLVKDONJSA-N 343.474 0.967 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCC[C@@]1(C)CO)CC2 160605789 QLXSSBWLJCQOQE-WQGACYEGSA-N 337.424 0.590 70 20 ECID CC(C)Cn1cnc(S(=O)(=O)NC[C@@H](O)COCC2CC2)c1 160665516 PCNUYKLOJOGRPL-CYBMUJFWSA-N 331.438 0.605 70 20 ECID COc1ccc(C(=O)N2CCN(Cc3c(C)nn(C)c3C)CC2)nn1 160979888 MFEXGSKARFCTJI-UHFFFAOYSA-N 344.419 0.794 70 20 ECID C[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CCOCC1 159807198 WMHJNXSNAIKFGX-GDBMZVCRSA-N 337.464 0.814 70 20 ECID COCCCNC(=O)CN(C)CC(=O)NCc1sccc1C 159476157 RPWQGRZCHYDUKE-UHFFFAOYSA-N 327.450 0.757 70 20 ECID O=C(NCCn1c(=O)[nH]c2ccccc21)NCC1(CO)CCOCC1 159493450 GVMHZJYSGQVUJH-UHFFFAOYSA-N 348.403 0.418 70 20 ECID CN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)C[C@@H]1CCC[C@@H]1O 159572693 UADKZRWBNNDITL-NHYWBVRUSA-N 348.382 0.833 70 20 ECID CCC(=O)N1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 1020869154 HHRYSHSDIMUXJS-JOYOIKCWSA-N 343.380 0.756 70 20 ECID CC(C)C(=O)N1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 982462102 UUSLOXPOEAWVHQ-SNVBAGLBSA-N 345.396 0.907 70 20 ECID C#CCN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1095004225 CTGQYSCNOMWGIY-TUAOUCFPSA-N 339.392 0.889 70 20 ECID C[C@@H](O)CCCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185730793 GZQSZAXNEICOPZ-GHMZBOCLSA-N 347.412 0.638 70 20 ECID C[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)[C@@H]1CN(C)CCO1 1340086949 DLZAZSFNKNTQAG-GWCFXTLKSA-N 330.381 0.794 70 20 ECID COCCCS(=O)(=O)N1CCN(CCN2CCCCC2)CC1 160076236 BEFJLGOKXXUKOG-UHFFFAOYSA-N 333.498 0.456 70 20 ECID CC(C)NC(=O)c1ccc(C(=O)Nc2cnn(CC(N)=O)c2)cc1 160637165 GBBJTWVQGQEQRI-UHFFFAOYSA-N 329.360 0.759 70 20 ECID Cc1ccc(N2CC[C@@H](NC(=O)CNC[C@@H]3CCCO3)C2=O)cc1 160924306 CICYLZFKQJGSCR-JKSUJKDBSA-N 331.416 0.985 70 20 ECID Cc1ccc(OCCNC(=O)c2ccnc3c(C(N)=O)cnn23)cc1 159694835 DXANLGRIGHPSRO-UHFFFAOYSA-N 339.355 0.945 70 20 ECID Cn1cnn(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c1=O 298039531 VWYNHWDCFKVMCY-UHFFFAOYSA-N 328.325 0.269 70 20 ECID CC(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1001990253 XSLCXGZSQXJWRU-SNVBAGLBSA-N 331.369 0.756 70 20 ECID O=C(NC1CCN(CCCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1003643803 XRTZIRYCAZWQNS-UHFFFAOYSA-N 333.385 0.250 70 20 ECID O=C(N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CCC1 939036856 ZLOKOTLVGIHUJC-SNVBAGLBSA-N 343.380 0.804 70 20 ECID CCN1CCO[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 1074340836 MSAUHZCBVAXBQV-OLZOCXBDSA-N 345.396 0.608 70 20 ECID O=C(NC[C@@H]1CCN1C1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1518521637 KXTICXFUGOMWJO-NSHDSACASA-N 345.396 0.656 70 20 ECID CC(C)C[C@@H](CO)NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 161102680 CARSEJSXZATPFZ-NSHDSACASA-N 346.387 0.557 70 20 ECID C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccnc2c(C(N)=O)cnn12 159834253 IXVKWOSXXPJMFI-JTQLQIEISA-N 339.355 0.895 70 20 ECID COCC(=O)N(C)CCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1066628655 KWYJWXVIRBSFCP-UHFFFAOYSA-N 349.384 0.240 70 20 ECID CCC(=O)N[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 952051601 ZYUAIVCLVACRHK-SECBINFHSA-N 331.369 0.804 70 20 ECID C#CCCN1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1076256396 ZAEWWZKTRLYOIN-SMDDNHRTSA-N 339.392 0.843 70 20 ECID C[C@H]1OCC[C@]12CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CCO2 1262788073 RPJCROWTLCPNMQ-RNCFNFMXSA-N 332.353 0.693 70 20 ECID C[C@@H](NCc1ccc(C(=O)NCC(N)=O)cc1)C1CCN(C)CC1 161036752 QIHZALSHPJIQNP-CYBMUJFWSA-N 332.448 0.722 70 20 ECID CN1CCN(c2ncccc2CNC(=O)N2CCC[C@@](C)(O)C2)CC1 161131062 FKAWJPCOHDYAHM-GOSISDBHSA-N 347.463 0.890 70 20 ECID CC(C)[C@@H](CCO)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O 160525857 CONPCIBQUWPWKV-CQSZACIVSA-N 333.388 0.603 70 20 ECID Cn1c(=O)[nH]c2ccc(C(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)cc21 159860107 LABPIQNRCXMBNQ-NSHDSACASA-N 330.388 0.996 70 20 ECID N#CCN1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@@H]21 1036823475 IFFPYNNGKQKXLC-GWCFXTLKSA-N 340.380 0.733 70 20 ECID C/C=C(/C)C(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164061 KYQFOEOJFDCUON-KSXVILFYSA-N 343.380 0.970 70 20 ECID C[C@]1(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)CCC(=O)N1 1340758482 GBZCJZXNHRIVMO-CQSZACIVSA-N 328.365 0.672 70 20 ECID CN1C(=O)[C@@H]2CN(C(=O)c3cccc(S(=O)(=O)F)c3)C[C@@H]2C1=O 1262788673 KIQVRYKNQUPVQF-PHIMTYICSA-N 340.332 0.032 70 20 ECID O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1346321467 WUYJRBRXMBWHBI-MRVPVSSYSA-N 329.353 0.414 70 20 ECID C[C@H](CC(=O)O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1592415971 VVZDIAYINXHREI-SECBINFHSA-N 347.368 0.294 70 20 ECID NC(=O)[C@@H]1CCCN1C1CCN(CCC(=O)N2CCCCC2)CC1 159427305 HUGNRZXGGRKPIS-INIZCTEOSA-N 336.480 0.803 70 20 ECID CC[C@H](NC(=O)[C@@H](C)NC(N)=O)[C@H]1CN(Cc2ccccc2)CCO1 159646781 KSGNGNXWOVMHEE-VNQPRFMTSA-N 348.447 0.839 70 20 ECID CC(=O)N1CC[C@@H](C)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1018459302 MBCORNVXQGDRPP-MWLCHTKSSA-N 345.396 0.907 70 20 ECID CC(=O)N1CCC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 954736291 ILHACTMZYRDWJF-UHFFFAOYSA-N 331.369 0.756 70 20 ECID C#CCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C 1133125879 MWMIZBVPGGOMIB-VXGBXAGGSA-N 341.408 0.994 70 20 ECID CC(C)[C@H](CNC(=O)N1CCC[C@](C)(O)C1)N1CCN(C)CC1 160134158 WXRUSECJCOHMFU-RDJZCZTQSA-N 326.485 0.815 70 20 ECID Cc1sc(=O)n(CCC(=O)NCC2CCN(CCO)CC2)c1C 160606498 BFTAXILICYGPHD-UHFFFAOYSA-N 341.477 0.737 70 20 ECID CCCN1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035511315 PUXXBJRLUHPDAF-SNVBAGLBSA-N 333.385 0.514 70 20 ECID O=C(NCCNCC[C@@H]1CCCO1)c1cc(S(=O)(=O)F)c[nH]1 1133976543 OTYDSJPMUJBYQB-JTQLQIEISA-N 333.385 0.561 70 20 ECID C[C@@H]1C[C@@H]1C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999955732 QUFZDLFZKYAFRY-XCBNKYQSSA-N 329.353 0.270 70 20 ECID CN(C)S(=O)(=O)NCc1ccc(CN2CCC(O)CC2)cc1 161129742 MVLJKDLRBFNSLL-UHFFFAOYSA-N 327.450 0.539 70 20 ECID O=C(NCCN1C(=O)CCC1=O)N1CCC[C@H](N2CCCC2)CC1 159921527 UHJVCOUMNXWXFP-AWEZNQCLSA-N 336.436 0.795 70 20 ECID C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1049726960 HOVHQAPHKREBQZ-KBPBESRZSA-N 339.392 0.985 70 20 ECID COc1cc(OC)c(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cc1OC 217000602 VFKAXMDLBBEZKB-JQWIXIFHSA-N 325.361 0.528 70 20 ECID Cc1nc([C@H](C)NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)no1 1133975973 FPOZZFRTSMOFQD-ZETCQYMHSA-N 345.356 0.445 70 20 ECID Cc1ccnc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1133977257 ZYPHGOREHPTSAJ-UHFFFAOYSA-N 341.368 0.291 70 20 ECID C[C@@H](O)CN1CC([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970423314 JDPXOKMMYGAIJL-RKDXNWHRSA-N 333.385 0.104 70 20 ECID O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263697279 SKVYKXIBHQJQNR-NSHDSACASA-N 329.353 0.556 70 20 ECID Cc1conc1NC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O 161177029 NDBWODSKLHQFEG-NSHDSACASA-N 346.318 0.982 70 20 ECID COCCC1(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCC1 160231659 QHXGVWIBQAUHTO-UHFFFAOYSA-N 346.387 0.778 70 20 ECID Cn1nccc1CCNC(=O)Cc1ccc(S(=O)(=O)F)cc1 1121090675 QUPSOQZLZOYPGC-UHFFFAOYSA-N 325.365 0.980 70 20 ECID CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 963579980 VUXHKDKECPEPLB-QWHCGFSZSA-N 343.380 0.898 70 20 ECID CN1CCC[C@H](NC(=O)Cc2ccc(S(=O)(=O)F)cc2)C1=O 1337502888 NWGMEIUKDSLUCH-LBPRGKRZSA-N 328.365 0.624 70 20 ECID COCCOC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1340081933 JLOSMCQNWMNSNR-JTQLQIEISA-N 334.369 0.798 70 20 ECID O=C(N[C@@H]1CCC[C@H]1CNCCO)c1cc(S(=O)(=O)F)c[nH]1 1753893633 KQDHWRPLZIJQAB-GXSJLCMTSA-N 333.385 0.153 70 20 ECID Cc1cc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)ncn1 161336772 BLYYXXZVMPNSHD-UHFFFAOYSA-N 345.447 0.945 70 20 ECID CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N(C)C[C@H](O)C2CC2)C1 160815835 QODGVVKVJQYZGD-CFVMTHIKSA-N 326.437 0.879 70 20 ECID CC(C)[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 159440184 HUMNTUZDQQCZAW-CYBMUJFWSA-N 334.420 0.293 70 20 ECID COC[C@@H](O)CNC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 159487329 SGLHNIDGAPTVRO-AWEZNQCLSA-N 347.419 0.562 70 20 ECID C#CCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1106675910 SOUUUHUTUNANLK-GHMZBOCLSA-N 327.381 0.604 70 20 ECID CCN1CCO[C@](C)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1108221335 ZIKAPOPYQHDPJD-CYBMUJFWSA-N 333.385 0.514 70 20 ECID COCCN1CC[C@@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046629016 VGYSKTQRVQMOIS-CYBMUJFWSA-N 333.385 0.514 70 20 ECID CC#CCN1CCOC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051116583 LMGKMLFJPDLCJU-LLVKDONJSA-N 343.380 0.127 70 20 ECID CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 982147675 YIGHUFBNADUCAJ-VHSXEESVSA-N 331.369 0.708 70 20 ECID CC(C)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090576968 PIFPEIRMNNZLCG-ZYHUDNBSSA-N 333.385 0.246 70 20 ECID Cc1ncoc1CN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1753064039 JGUBXPQDANVNJF-UHFFFAOYSA-N 344.368 0.831 70 20 ECID C#CCCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1037584474 JFQJHQQSHBNGBK-ICCXJUOJSA-N 325.365 0.499 70 20 ECID CCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1061163877 NFSOSJAJUKBOLH-SECBINFHSA-N 347.368 0.040 70 20 ECID CCC(=O)NC1[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]12 1012626269 KPGPVTKLUZVVJH-RKDXNWHRSA-N 329.353 0.270 70 20 ECID C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 972924052 GHHOQEPQKHIJIS-TURQNECASA-N 343.380 0.706 70 20 ECID CCn1cc(NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cn1 161446581 GRZCWLYIDKMDDX-UHFFFAOYSA-N 342.359 0.409 70 20 ECID CN(Cc1cccn1C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 160695047 QIQJFCFILDOSJG-UHFFFAOYSA-N 341.371 0.243 70 20 ECID COCC(=O)N1CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)CC1 160817067 IXVKAQXCDIAIPV-UHFFFAOYSA-N 329.360 0.403 70 20 ECID N[C@H]1CCC[C@H](NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)C1 160921679 COQIJKGGXZMCII-KBPBESRZSA-N 330.388 0.738 70 20 ECID CNC(=O)COc1cccc(CC(=O)NCCCn2ccnc2)c1 160939498 GGGNDBKMLHKGFF-UHFFFAOYSA-N 330.388 0.757 70 20 ECID CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(C)(C)N 159927941 NLLOBILOZAYWIK-CYBMUJFWSA-N 345.440 0.982 70 20 ECID CCN1CCCN(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1 159584978 WMFOEVDXYVYSKO-QGZVFWFLSA-N 339.528 0.996 70 20 ECID O=C(CCn1cnccc1=O)Nc1ccc(S(=O)(=O)F)cc1 864238942 UACMGONQNYXWGP-UHFFFAOYSA-N 325.321 0.930 70 20 ECID C#CCNC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1C 1133125877 MWMIZBVPGGOMIB-RYUDHWBXSA-N 341.408 0.994 70 20 ECID N#CCN1CCCC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 982020281 VSXDRDHUPTWEEI-UHFFFAOYSA-N 340.380 0.734 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](CNCCCO)C1CC1 1755567381 MXQWTQFWKRFHKC-ZDUSSCGKSA-N 347.412 0.496 70 20 ECID COC(=O)CCN(C)S(=O)(=O)N1CC=C(C(F)(F)F)CC1 160259871 FIDNBEZZFSKEFU-UHFFFAOYSA-N 330.328 0.921 70 20 ECID Cn1cc(CCC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cn1 160563786 JEVNQFLPHPQXPW-OLZOCXBDSA-N 328.438 0.187 70 20 ECID O=C1C[C@H](C(=O)NC[C@@H](c2cccs2)N2CCOCC2)CCN1 159676199 AWTZOQQXLYIISL-OLZOCXBDSA-N 337.445 0.764 70 20 ECID C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1CNCCO 1133124529 BEBVHDGNQSWLSL-GHMZBOCLSA-N 347.412 0.353 70 20 ECID CO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1078506775 VEEQJVBYLFKFFH-DTWKUNHWSA-N 349.384 0.332 70 20 ECID CN(C)c1nccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1340081971 KWKSHYIQBWQLHA-UHFFFAOYSA-N 327.341 0.459 70 20 ECID CCN(Cc1ccccn1)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 161092851 FGVIYXQKQVTUEN-DZGCQCFKSA-N 339.461 0.938 70 20 ECID CN(C)CC(=O)N1CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)CC1 160070799 BUKWTXBBRHHCSE-UHFFFAOYSA-N 342.403 0.318 70 20 ECID CN1CCN(c2ncc(CN3CCC(CC(N)=O)CC3)cn2)CC1 159800531 NUNLUUHJOHTJSE-UHFFFAOYSA-N 332.452 0.316 70 20 ECID CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccnc(-n3cccn3)c2)C1 159795512 XUXNEOAQJACKNA-ZDUSSCGKSA-N 349.416 0.421 70 20 ECID C#CCCN[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209677487 FVFPSXVBGCTVIT-NSHDSACASA-N 327.381 0.890 70 20 ECID CCCCn1ncc(C(=O)NC[C@](C)(O)CN2CCOCC2)c1C 159893432 OHRPMFNIOYPQDD-KRWDZBQOSA-N 338.452 0.805 70 20 ECID CC(C)OC1CCC(NC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 159553320 MGLHZWACAZTNOH-UHFFFAOYSA-N 337.424 0.832 70 20 ECID CC(=O)NCCNC(=O)CCC(=O)NCCc1cc2ccccc2[nH]1 159596721 LKMHLBZLFKHDKW-UHFFFAOYSA-N 344.415 0.859 70 20 ECID CC(=O)N[C@H]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015277847 YIGHUFBNADUCAJ-ZJUUUORDSA-N 331.369 0.708 70 20 ECID CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C12CCC2 1025846908 TXBOBDJDVMEJDN-NWDGAFQWSA-N 343.380 0.850 70 20 ECID CO[C@H](C)C(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938844809 QMMDUZPADNPSOT-BDAKNGLRSA-N 347.368 0.039 70 20 ECID CO[C@H](C)CN1CC([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970423478 KGYYJFSXAHLGSZ-ZJUUUORDSA-N 347.412 0.758 70 20 ECID CNC(=O)NC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1349623723 ZVHKXXCAWQNYKZ-UHFFFAOYSA-N 332.357 0.207 70 20 ECID COCCN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)F)c(OC)c1 1606882072 WLUJZWNASJAKPG-UHFFFAOYSA-N 349.336 0.527 70 20 ECID CCN(CC)C(=O)C[C@@H](C)NC1CCN(CC(=O)N(C)C)CC1 160425942 GEXUFKNGQFYCEZ-CQSZACIVSA-N 326.485 0.776 70 20 ECID C[C@@H](O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1017959011 NXEBJMFPVGONKB-MXWKQRLJSA-N 345.396 0.343 70 20 ECID CS(=O)(=O)C1(C(=O)Nc2ccc(S(=O)(=O)F)c(F)c2)CC1 857672985 PDYDHMKESZYHMA-UHFFFAOYSA-N 339.341 1.000 70 20 ECID C=CCN1C[C@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 978717933 JZDHALNFNHYKNY-RYUDHWBXSA-N 327.381 0.767 70 20 ECID CO[C@H](C)CN1CC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085820372 YBWKEOQPFKLUOF-GHMZBOCLSA-N 347.412 0.854 70 20 ECID COC(=O)[C@]1(NC(=O)Cc2ccc(S(=O)(=O)F)cc2)CCOC1 1338753091 XCJPPZUXHNQYDD-AWEZNQCLSA-N 345.348 0.336 70 20 ECID COc1ccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c(C)c1C 161486395 OEPHQQMODQFMLE-OAHLLOKOSA-N 330.450 0.903 70 20 ECID O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(CCO)C2)c1cc(S(=O)(=O)F)c[nH]1 1047146721 KXQATLHIIXLGOI-AXFHLTTASA-N 345.396 0.248 70 20 ECID C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1nccnc1F 1098288172 GVJRLSLDORGZJC-ZETCQYMHSA-N 345.331 0.832 70 20 ECID CC(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N1CCOCC1 1336406145 JIJXTFJWVUDXIK-CYBMUJFWSA-N 347.412 0.760 70 20 ECID Cc1nnnn1-c1cccc(NCC(=O)NCC(=O)NC(C)(C)C)c1 161240112 YSMMCTIHXNAJJY-UHFFFAOYSA-N 345.407 0.414 70 20 ECID C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)Cc2ccon2)CC1 161441749 SJWLRFRCWFMILJ-GFCCVEGCSA-N 331.438 0.529 70 20 ECID CN1CCO[C@@H](C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)C1 160017485 XFKNREMFOSWFNF-MRXNPFEDSA-N 343.431 0.538 70 20 ECID C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)CN1CCOCC1 160383666 YHOQNYWSACRCNN-ZDUSSCGKSA-N 340.445 0.868 70 20 ECID N[C@H]1CCC[C@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C1 160782904 HWGOJSBVKBKXIJ-HOTGVXAUSA-N 331.464 0.980 70 20 ECID CC(C)CN1CCCC[C@H]1CNC(=O)N1CCN2C(=O)NC[C@@H]2C1 160996821 HGGMNUOTZCQUON-LSDHHAIUSA-N 337.468 0.916 70 20 ECID Cn1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)c(O)nc1=O 460091349 KFMCOLIDCXKYEQ-UHFFFAOYSA-N 327.293 0.396 70 20 ECID O=C(NCc1nc([C@@H]2CCCO2)n[nH]1)c1cc(S(=O)(=O)F)c[nH]1 1263852536 PMRZZODJPAOQMZ-VIFPVBQESA-N 343.340 0.573 70 20 ECID Cc1ccc(-n2cnnn2)cc1NCC(=O)NCC(=O)NC(C)(C)C 161260957 OPTVEUZVJLZWFD-UHFFFAOYSA-N 345.407 0.414 70 20 ECID Cc1nc(S(=O)(=O)N(C)CC2CCN(C[C@@H](C)O)CC2)cn1C 161458489 ZTQOVCZMTOBQCV-GFCCVEGCSA-N 344.481 0.442 70 20 ECID CCC(O)(CC)CNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 160639674 XIYFPEMEDRENNN-LLVKDONJSA-N 325.413 0.590 70 20 ECID Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)N[C@@H](C)C(=O)NC(N)=O)cc1 159854412 PTFWJRFIHUTZOJ-MNOVXSKESA-N 331.376 0.708 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)COC[C@@H]1CCCO1 159712161 VKJDRGLMQUPTRI-HNNXBMFYSA-N 328.453 0.999 70 20 ECID NCCCNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 159997325 USDUTCLXMLDFQY-UHFFFAOYSA-N 325.434 0.986 70 20 ECID C#CCN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1017960113 ZINHXJXSFAWNPW-PHIMTYICSA-N 325.365 0.595 70 20 ECID Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)F)c2)c(=O)n1C 460097222 ZXVPVIYWYSKCHF-UHFFFAOYSA-N 328.325 0.187 70 20 ECID CC#CCN1CC(N(CC)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 951760932 OMOFIOVKCQKVGB-UHFFFAOYSA-N 327.381 0.843 70 20 ECID O=C(N[C@H]1[C@@H]2CN(C(=O)C3CC3)C[C@@H]21)c1cc(S(=O)(=O)F)c[nH]1 977208299 OXHSQAKKBMEXRM-IAZYJMLFSA-N 341.364 0.270 70 20 ECID C[C@H]1[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1CC#N 993824352 LAXGDRIFTQGIMZ-GXSJLCMTSA-N 328.369 0.779 70 20 ECID C[C@@H]1C[C@H]1CC(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999094439 FHGFDORVQGIPTB-BDAKNGLRSA-N 343.380 0.660 70 20 ECID COC1(C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CCNCC1 161011587 SCMKHMSRTYDCOT-UHFFFAOYSA-N 349.406 0.765 70 20 ECID O=S(=O)(NC[C@H](O)COc1ccc(F)c(F)c1)c1c[nH]cn1 161298239 XCBUCPLNBVQKHX-QMMMGPOBSA-N 333.316 0.406 70 20 ECID C[C@@H](NC(=O)c1cccs1)C(=O)NCC1CCN(CCO)CC1 160695612 GJWGTKXQMZOMAG-GFCCVEGCSA-N 339.461 0.687 70 20 ECID C[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1CCOCC1 159806929 WMHJNXSNAIKFGX-ZBFHGGJFSA-N 337.464 0.814 70 20 ECID CN(C)C(=O)Cn1cc(C(=O)N(C)CCOCc2ccccc2)nn1 159416431 OANIBNDBGHQSEN-UHFFFAOYSA-N 345.403 0.655 70 20 ECID CC[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CN(Cc2ccccc2)CCO1 159648806 BVBMXFIIQTZDPE-CVEARBPZSA-N 348.447 0.841 70 20 ECID Cc1cnn(-c2ccc(NC(=O)CN3CCNCC3=O)cc2F)c1 159779299 ILUWLFGEPXTXAW-UHFFFAOYSA-N 331.351 0.690 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C[C@@H](C)O)C1 951760257 BCWHFIHNPIUQHS-SECBINFHSA-N 333.385 0.200 70 20 ECID O=C(NCCNCc1ccns1)c1cc(S(=O)(=O)F)c[nH]1 1133981085 GSBBIAULWVTPOV-UHFFFAOYSA-N 332.382 0.649 70 20 ECID O=C(N[C@H]1C[C@H](NC(=O)C(F)F)C1)c1cc(S(=O)(=O)F)c[nH]1 972872423 IGCDVQAVNFGMON-IZLXSQMJSA-N 339.295 0.315 70 20 ECID CC1(C)COCCN1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1527564870 DKJNBDVUEPUJDV-UHFFFAOYSA-N 333.385 0.514 70 20 ECID COCCCS(=O)(=O)NCC(=O)N1c2ccccc2C[C@H]1C 161064422 KZIOHWZTIHIICB-GFCCVEGCSA-N 326.418 0.920 70 20 ECID CN(C)C(=O)CN(C)C(=O)/C=C/C(=O)Nc1ccc2[nH]ncc2c1 161291558 YVEJDRGUYAOJDY-VOTSOKGWSA-N 329.360 0.604 70 20 ECID C[C@H](CN1CCOCC1)NC(=O)N1CCCN(CC(F)F)CC1 160326672 CCHSBWQPYHGDAN-CYBMUJFWSA-N 334.411 0.690 70 20 ECID Cc1c[nH]c(=O)n1-c1ccc([C@H](C)N[C@H](C)C(=O)NC(N)=O)cc1 159854752 PTFWJRFIHUTZOJ-WDEREUQCSA-N 331.376 0.708 70 20 ECID COC(=O)CN(CC(=O)OC)C(=O)c1ccc(S(=O)(=O)F)cc1 864239414 AOWQCQPOXVETMB-UHFFFAOYSA-N 347.320 0.133 70 20 ECID CO[C@@H](C)CN1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1031983735 KDQDITKTFBBOSN-VIFPVBQESA-N 333.385 0.369 70 20 ECID C[C@@H](CCNC(=O)C1CC1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1075273610 VMHFCKUASJJIPA-QMMMGPOBSA-N 331.369 0.708 70 20 ECID CN(CC#N)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 985653379 RADCMGCBFXFWDE-UHFFFAOYSA-N 328.369 0.733 70 20 ECID COCCN(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192399345 YZYAYZIYGNCHGW-JTQLQIEISA-N 333.385 0.466 70 20 ECID O=C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1CC(F)(F)F 1349533538 UOKZLNDLPAYZSL-UHFFFAOYSA-N 343.258 0.477 70 20 ECID CC[C@H](F)CNC[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1753927501 LHLXOLPAHLBRHD-IUCAKERBSA-N 339.364 0.101 70 20 ECID CO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C(=O)O)C1 1599122093 ZIJZJLIAEIOTNK-GMSGAONNSA-N 334.325 0.377 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](CCNCCCO)C1 1754931714 KGEQXTKOTFWQSH-LLVKDONJSA-N 347.412 0.497 70 20 ECID O=C(C[C@H]1CNCCO1)N1CCN(Cc2cccc(F)c2)C(=O)C1 161010090 VUYNSRCZPWYKFM-HNNXBMFYSA-N 335.379 0.375 70 20 ECID CN(C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(F)c(F)c1F 161448072 GNEKUQIEOCKWSB-LBPRGKRZSA-N 326.340 0.695 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc21 160615565 RTTKASCHOANCGU-BNOWGMLFSA-N 338.429 0.997 70 20 ECID c1cn(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cn1 159844604 VKKAJOXKLWQQNO-UHFFFAOYSA-N 343.435 0.332 70 20 ECID CC(=O)Nc1cccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)c1 217300693 OPECLBPRNBGIIE-UHFFFAOYSA-N 340.405 0.754 70 20 ECID C[C@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 966024234 OOLNUEXVHHRFAM-QPUJVOFHSA-N 343.380 0.660 70 20 ECID C#CCN1C[C@@H]2C(CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978727383 SGBJMJDYXWBBTG-VXGBXAGGSA-N 325.365 0.214 70 20 ECID Cc1ncoc1CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166871763 QKLUXYNGFFHBOX-UHFFFAOYSA-N 344.368 0.879 70 20 ECID COC[C@@H](C)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1179550244 SYXRQMSDUAASGO-SCVCMEIPSA-N 347.412 0.900 70 20 ECID O=C(O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1601786714 KLVJRPLALUFVBV-BCMRRPTOSA-N 330.337 0.998 70 20 ECID CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@](C)(O)C1 161506857 NMBLPZFPSPLIAL-RHSMWYFYSA-N 340.468 0.486 70 20 ECID O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](O)CN1CCCCC1 160011175 HUWFHJANQXVDKL-OAHLLOKOSA-N 337.395 0.405 70 20 ECID O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1COCCN1 160930901 XOHXOAYAXKFTCU-CHWSQXEVSA-N 337.807 0.940 70 20 ECID CC(=O)NC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@H]1C 1018642365 YWJRENUHVRLXFK-KOLCDFICSA-N 345.396 0.907 70 20 ECID O=C(NCCNCCC1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1133981322 MWPOLZVBGOHCDJ-UHFFFAOYSA-N 347.412 0.809 70 20 ECID N#CCNCC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1206307693 NLZIJWLGAVWUHD-UHFFFAOYSA-N 328.369 0.638 70 20 ECID CS(=O)(=O)NC1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1 161216339 SDIAERSRFFOUSP-UHFFFAOYSA-N 349.416 0.421 70 20 ECID CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCC[C@H](N)C2)c1 161346208 IYYCONZFMSAZIB-NWDGAFQWSA-N 325.434 0.903 70 20 ECID CN(C)C(=O)CN1CCC(NC(=O)c2cccc3[nH]cnc23)CC1 159482178 BKAXFXUELZSBMU-UHFFFAOYSA-N 329.404 0.845 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C(=O)C2CCC2)CC1 1009719909 ZIPXVUDEJRTMON-UHFFFAOYSA-N 343.380 0.757 70 20 ECID O=C(N[C@@H]1CCCN(CCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1008548015 RQDFILNUDJONOA-SNVBAGLBSA-N 333.385 0.250 70 20 ECID C[C@H](C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1)S(C)(=O)=O 857674238 GJQUYOUKDNSHQK-ZCFIWIBFSA-N 327.330 0.856 70 20 ECID Nc1c(O)nc(O)nc1C(=O)Nc1ccc(S(=O)(=O)F)cc1 864237777 KJYOTNOEOZSMEN-UHFFFAOYSA-N 328.281 0.381 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN([C@H](C)COC)C1 951760504 HTENCIPSOWDPSX-SNVBAGLBSA-N 347.412 0.854 70 20 ECID N#CCNC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCC1 1753668673 OMVPXZWGICKVMV-UHFFFAOYSA-N 328.369 0.829 70 20 ECID CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(CS(C)(=O)=O)o1 160654058 GZNXXTAHUAYRKG-NSHDSACASA-N 330.406 0.715 70 20 ECID CN1CCN(C(=O)NCCc2nnc(-c3ccccc3)o2)CC1=O 159833208 FSVBMIYIKMNOFI-UHFFFAOYSA-N 329.360 0.763 70 20 ECID CCCCn1c(=O)n(C)c(=O)c2cc(S(=O)(=O)Cl)cnc21 100637655 NOXQAIGXTGXMBB-UHFFFAOYSA-N 331.781 0.823 70 20 ECID C#CCCN1CCC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1072990328 XFVPGUASRLADBI-UHFFFAOYSA-N 339.392 0.844 70 20 ECID O=C(NC1CN(C(=O)C2CC=CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 999951613 GUFMCCHUGJOGJD-UHFFFAOYSA-N 341.364 0.580 70 20 ECID C[C@H]1CCNC(=O)[C@H]1NC(=O)CCc1ccc(S(=O)(=O)F)cc1 1338168074 XAGHYEHCGHGMOU-HZMBPMFUSA-N 342.392 0.918 70 20 ECID CS(=O)(=O)CCCCNC(=O)c1cccc(S(=O)(=O)F)c1 1338957517 FLAHGMMYFOJJDC-UHFFFAOYSA-N 337.394 0.899 70 20 ECID O=C1NC[C@H](O)CC12CCN(c1ccc(S(=O)(=O)F)cn1)CC2 1551191650 KPHFFERFWHAXPR-SNVBAGLBSA-N 343.380 0.207 70 20 ECID O=c1[nH]c2ccc(S(=O)(=O)NC[C@H](O)Cc3ccccc3)cc2[nH]1 161053387 KKHDZSKORDNFFW-GFCCVEGCSA-N 347.396 0.738 70 20 ECID Cc1c(NC(=O)C(=O)NCC(=O)N(C)C)cnn1-c1ccccc1F 160055091 JZZKKFVWBQVBTJ-UHFFFAOYSA-N 347.350 0.463 70 20 ECID CC(C)(C)NC(=O)CNC(=O)COn1nnc2ccc(Cl)cc21 160610820 ZVEWFJIORDSMEN-UHFFFAOYSA-N 339.783 0.544 70 20 ECID C#CCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1C 1071828537 QAWXCCLWTCNXLY-QWRGUYRKSA-N 327.381 0.889 70 20 ECID C[C@@H]1CN(C[C@@H](C)O)C[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1092968502 VTWBXSQTUWRUTB-GMTAPVOTSA-N 347.412 0.351 70 20 ECID CO[C@@H]1C[C@@H](c2nncn2C)N(c2ccc(S(=O)(=O)F)cn2)C1 1550623486 WXTMBYQZPQWSOD-KOLCDFICSA-N 341.368 0.835 70 20 ECID O=C(N[C@H]1CNCC2(CCOCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1580622396 JFDREBZBBFGCFP-SNVBAGLBSA-N 345.396 0.561 70 20 ECID Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2cnn(C)c2)c1 159914065 QKLGOPZATRTPSG-GFCCVEGCSA-N 325.390 0.447 70 20 ECID Cc1cccc(OC[C@H](O)CNS(=O)(=O)Cc2ccon2)c1 159923553 ZTZMUCUNADNALH-CYBMUJFWSA-N 326.374 0.842 70 20 ECID Cc1ccc(NC(=O)CCn2ncn(C)c2=O)cc1S(=O)(=O)F 857674312 VOBKBFHNFGMXQW-UHFFFAOYSA-N 342.352 0.577 70 20 ECID C[C@H](O)CCCN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1113354075 XIRGNUMDLXXWJW-NSHDSACASA-N 347.412 0.592 70 20 ECID CC(C)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 973020044 GEOXUBCSYWCSHY-KYZUINATSA-N 331.369 0.706 70 20 ECID CC(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 973888342 GEOXUBCSYWCSHY-DTORHVGOSA-N 331.369 0.706 70 20 ECID CCN1CCO[C@@]2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 972556243 FBDTXOZHRFYPQB-AWEZNQCLSA-N 345.396 0.610 70 20 ECID O=C(O)[C@H]1COCCN1C(=O)CCc1ccc(S(=O)(=O)F)cc1 1594957990 ZQCYBPUYNIYRCO-GFCCVEGCSA-N 345.348 0.589 70 20 ECID CN(C)C(=O)CN1CCC(NC(=O)N(C)C[C@@H]2CCC[C@H]2O)CC1 161092926 GTYVVDVDKFTHDN-DZGCQCFKSA-N 340.468 0.341 70 20 ECID C[C@@H](CNC(=O)CN1CCNCC1=O)Oc1cccc(Cl)c1 161403153 FCTQJAMFTYYDHE-NSHDSACASA-N 325.796 0.655 70 20 ECID CCS(=O)(=O)c1cccc(CC(=O)N(C)CC(=O)N(C)C)c1 161443224 GLFZKSPFIQMNSI-UHFFFAOYSA-N 326.418 0.569 70 20 ECID CC(=O)NCCNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C 160009461 CLEVULDZIMPMIL-UHFFFAOYSA-N 347.350 0.511 70 20 ECID O=C(CCNS(=O)(=O)Cc1c(F)cccc1F)N1CCOCC1 160387874 UWXMCAXQNLUJBX-UHFFFAOYSA-N 348.371 0.633 70 20 ECID O=C(NCC1CCN(CCO)CC1)[C@H]1CC(=O)N(Cc2ccco2)C1 160621088 DJLGZDQJPZBRJY-HNNXBMFYSA-N 349.431 0.449 70 20 ECID C[C@@H](C(=O)NCC(=O)NCCN1CCOCC1)c1cccs1 159822996 LGMWGCRDXUTHJW-GFCCVEGCSA-N 325.434 0.416 70 20 ECID O=C(CS(=O)(=O)C1CCCC1)NCC1CCN(CCO)CC1 160645239 IEWJZLWRYMJNPQ-UHFFFAOYSA-N 332.466 0.164 70 20 ECID Cc1nc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)sc1C 160648289 MQDDXBKARMAYLK-UHFFFAOYSA-N 331.463 0.843 70 20 ECID CN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 939726607 RAPWRHVNAXRCNJ-JTQLQIEISA-N 343.380 0.756 70 20 ECID CC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 945078812 GGYQBDQWVJOALA-KCJUWKMLSA-N 331.369 0.660 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(CCCO)C1 951761456 YRFDYXLSPHXNNR-UHFFFAOYSA-N 333.385 0.202 70 20 ECID CCN1CCO[C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21 1074340840 MSAUHZCBVAXBQV-STQMWFEESA-N 345.396 0.608 70 20 ECID C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1099035148 OLBHELWAGMALQZ-NHYWBVRUSA-N 339.392 0.890 70 20 ECID C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1338250593 MBMCHBNJEBAMDY-JGVFFNPUSA-N 340.398 0.567 70 20 ECID CC[C@@](C)(O)CNS(=O)(=O)c1ccc(CCNC(C)=O)cc1 160311033 LXOMEUYXZIWROI-OAHLLOKOSA-N 328.434 0.805 70 20 ECID CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@@H](O)CN1CCCCC1 160685293 MAIMZNKGXRROOQ-AEFFLSMTSA-N 345.443 0.927 70 20 ECID C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCO)n(C)c2)C1 159410642 XBMGPQBVDGDPDF-NSHDSACASA-N 329.422 0.168 70 20 ECID CC(=O)N1CC[C@@H](C(=O)N(C)CC(C)(C)CN2CCOCC2)C1 159622908 WZFBIROLMTVFQO-OAHLLOKOSA-N 325.453 0.672 70 20 ECID CC(=O)N1CC[C@H](NC(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 159441300 TZQKNZOZTHTCAH-YOEHRIQHSA-N 349.406 0.936 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C(=O)C2CC2)C1 955354927 DSXCRDIHUIXXGT-UHFFFAOYSA-N 329.353 0.366 70 20 ECID C=CCCN1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961786349 GTNNINIEWCSPAK-PJXYFTJBSA-N 327.381 0.909 70 20 ECID C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1nccnc1F 1098288171 GVJRLSLDORGZJC-SSDOTTSWSA-N 345.331 0.832 70 20 ECID COC(=O)C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1338068783 QUUGRGJRFYOPNQ-QMMMGPOBSA-N 334.325 0.077 70 20 ECID C[C@@H](CCNCc1ccon1)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1754001824 MGWYJMRQBLDSCR-VIFPVBQESA-N 344.368 0.959 70 20 ECID Cc1nn(C)c2ncc(C(=O)NCC3CCN(CCO)CC3)cc12 160673196 NOEWSKUREBCRMO-UHFFFAOYSA-N 331.420 0.711 70 20 ECID Cn1cnc(-c2ccc(NC(=O)Nc3cnn(CC(N)=O)c3)cc2)n1 160850348 YGXICNDDCLOTQT-UHFFFAOYSA-N 340.347 0.808 70 20 ECID CC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1009603163 PMGXNZUTCNWUHO-UFBFGSQYSA-N 347.368 0.039 70 20 ECID O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 857674461 KZBHKCKRJCYTJP-SSDOTTSWSA-N 339.341 0.857 70 20 ECID CCN(C(C)=O)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942612703 BAOQBPYXSDOQTN-JTQLQIEISA-N 331.369 0.756 70 20 ECID COCCCN1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1114839423 AGYAPRICNSCIBL-GHMZBOCLSA-N 345.396 0.369 70 20 ECID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCN(CCO)CC1 997310311 FXPRRDXOUYGIFA-SNVBAGLBSA-N 347.412 0.496 70 20 ECID CC(C)CN1CCCC[C@H]1CNC(=O)N1CCO[C@H](C(N)=O)C1 161012724 FAVVFKBROSBEQX-KBPBESRZSA-N 326.441 0.393 70 20 ECID COc1ccc(Cl)c(S(=O)(=O)NC[C@](C)(O)CN(C)C)c1 161484905 KNNNSFWZUOKZRU-ZDUSSCGKSA-N 336.841 0.940 70 20 ECID NS(=O)(=O)c1cccc(S(=O)(=O)NCC2(C3CC3)CC2)c1 160140705 GCPYIJDKBCNZAS-UHFFFAOYSA-N 330.431 0.803 70 20 ECID N[C@@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1 160262339 QUEJIWJNHOYFBF-ZIAGYGMSSA-N 337.445 0.647 70 20 ECID COCC(=O)N1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 160503945 XYXWHWCYOZPGSP-UHFFFAOYSA-N 349.313 0.768 70 20 ECID O=C(NCC1CCN(CCO)CC1)c1cn(-c2ccccc2)nn1 160621772 XUYVFPZLYYOVFG-UHFFFAOYSA-N 329.404 0.701 70 20 ECID CCC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 948097341 QUFJYGRKMBIQFC-INNHCVQGSA-N 329.353 0.412 70 20 ECID COc1ccccc1N1CC[C@H](NC(=O)CCn2cncn2)C1=O 161268484 OFGHBKUBJHYDQF-LBPRGKRZSA-N 329.360 0.599 70 20 ECID Cc1c(NC(=O)C(=O)NCCCC(N)=O)cnn1-c1ccccc1F 160271625 JKMCAKYCLSAZCJ-UHFFFAOYSA-N 347.350 0.640 70 20 ECID CC(C)CN1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961789219 MKHGMYDOJGSZBT-QWRGUYRKSA-N 329.397 0.989 70 20 ECID N#CCN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1084668833 LTQWCTKQFFOQKN-BXKDBHETSA-N 326.353 0.343 70 20 ECID C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)[C@H]1CN(C)CCO1 1338013487 UMOITMQQPKUYKB-BXUZGUMPSA-N 344.408 0.723 70 20 ECID CS(=O)(=O)N1CC[C@H](CNC(=O)c2cccc(-c3ncn[nH]3)c2)C1 160123036 OEGFHPYDUFQFRS-LLVKDONJSA-N 349.416 0.483 70 20 ECID CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccn(C)c1)n2CCOC 160261709 LCJORPARNAWMOY-UHFFFAOYSA-N 331.376 0.948 70 20 ECID C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1032634824 VZHWWCBVRKJBPQ-QWRGUYRKSA-N 325.365 0.595 70 20 ECID CN(C(=O)C(F)F)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 953463523 MFRITSJQGWKSPX-UHFFFAOYSA-N 339.295 0.221 70 20 ECID O=C(N[C@@H]1Cc2ccccc2NC1=O)c1cc(S(=O)(=O)F)c[nH]1 1521709092 VHAYASPYMVRXJT-GFCCVEGCSA-N 337.332 0.966 70 20 ECID COCCOCCCNC(=O)N1CCN(Cc2ccccn2)CC1 160054833 VSGCBFGVIKKYMT-UHFFFAOYSA-N 336.436 0.962 70 20 ECID CN(CC(=O)NC1CC1)C(=O)Cc1ccc(S(=O)(=O)F)cc1 1337810936 XYTWDWSHXQMBBL-UHFFFAOYSA-N 328.365 0.624 70 20 ECID NC(=O)NC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1527341588 RCVGUXUPFSRZHJ-MRVPVSSYSA-N 332.357 0.193 70 20 ECID COC[C@@](C)(CC(=O)O)NC(=O)c1cccc(S(=O)(=O)F)c1 1599149909 LSFHDQKTRGZBKU-CYBMUJFWSA-N 333.337 0.954 70 20 ECID C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)Cn1ccc(=O)[nH]c1=O 161246900 DZXNRBZVKRZMMT-SNVBAGLBSA-N 333.319 0.453 70 20 ECID Cn1ccnc1CN1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 160408496 SERAXTHVNROVFI-UHFFFAOYSA-N 339.403 0.660 70 20 ECID CCCC1(CNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC1 160718308 GFKBYBZSRHVPGW-UHFFFAOYSA-N 328.438 0.703 70 20 ECID Cc1conc1NC(=O)C(=O)N1CCNC(=O)[C@H]1c1ccccc1 160921333 IODDBKIBOBKRAA-GFCCVEGCSA-N 328.328 0.621 70 20 ECID C[C@H](C(=O)N(C)CC(=O)N[C@H]1c2ccccc2C[C@@H]1O)n1cccn1 159824779 XBDODNMGAIFDHE-PVUWLOKVSA-N 342.399 0.677 70 20 ECID O=C(CCc1nc(-c2ccoc2)no1)NCCC(=O)N1CCOCC1 159488791 DSUGSIHCBIJRHE-UHFFFAOYSA-N 348.359 0.627 70 20 ECID Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1 159689428 XUIRDRNLEHPCCM-HZPDHXFCSA-N 331.416 0.575 70 20 ECID COC[C@H](C)N1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141094 FWHSLNRCIGTWNH-WDEREUQCSA-N 347.412 0.902 70 20 ECID Cc1ccc(N(C)CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nn1 1100330350 NSHQTAQJSLEABE-UHFFFAOYSA-N 341.368 0.638 70 20 ECID COc1ccsc1S(=O)(=O)NCC1CCN(CCO)CC1 161397872 OPABOOCNCRVFHA-UHFFFAOYSA-N 334.463 0.739 70 20 ECID CCn1cc(S(=O)(=O)NCCCNC(=O)c2occc2C)cn1 160260243 VPTHCYGDOGIJLW-UHFFFAOYSA-N 340.405 0.903 70 20 ECID Cn1cc(S(=O)(=O)N2CCN(Cc3cccc(O)c3)CC2)cn1 160770593 SXJCATVFHHGZHD-UHFFFAOYSA-N 336.417 0.632 70 20 ECID O=C(NCCO)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 159451217 DYIWIKCBTDWWFL-CQSZACIVSA-N 326.418 0.337 70 20 ECID CCN(C(=O)N[C@H]1CC(=O)N(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 217288641 RZIGEJUDIKOXBN-NWDGAFQWSA-N 331.438 0.214 70 20 ECID CC(=O)N[C@@]12CCC[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1014120855 LHZVGUWBOOTDLQ-TZMCWYRMSA-N 343.380 0.946 70 20 ECID O=S(=O)(OCC(F)(F)SCCc1nn[nH]n1)C(F)(F)F 882190471 GUGDIMXEPDFCMH-UHFFFAOYSA-N 342.271 0.934 70 20 ECID O=C(NCCCNc1nccnc1F)c1cc(S(=O)(=O)F)c[nH]1 1094801387 LXDLRCULGGTURH-UHFFFAOYSA-N 345.331 0.834 70 20 ECID C[C@@H]1CC[C@@H](CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1166871677 NOXOCXNDRCIBPA-MNOVXSKESA-N 347.412 0.950 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(Cn2ccnn2)CC1 1338390912 UQJCQQJLUACHAV-UHFFFAOYSA-N 341.368 0.817 70 20 ECID COCCCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1753444528 SPPSGVHHIZSIMC-LLVKDONJSA-N 347.412 0.856 70 20 ECID CCNCC1CCN(C(=O)c2cc(S(=O)(=O)NC)oc2C)CC1 161094184 IPCMPVBCKLIVRX-UHFFFAOYSA-N 343.449 0.958 70 20 ECID Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@@H]1O 161100504 WGDAYBZLFIBAFG-ZNMIVQPWSA-N 333.367 0.934 70 20 ECID CC[C@@H](NC(=O)N1CC[C@@H](S(=O)(=O)NC)C1)c1ccncc1 160309213 FGGJABZUDFISLR-CHWSQXEVSA-N 326.422 0.866 70 20 ECID CN(C)C1CCN(CCNC(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1 160914123 GWBJLGVEAABQIQ-UHFFFAOYSA-N 345.447 0.622 70 20 ECID Cc1c(C(=O)NCCO)cc(Br)cc1S(N)(=O)=O 159511815 XXEGJKJBAYUSGR-UHFFFAOYSA-N 337.195 0.127 70 20 ECID O=C(CN1CCS(=O)(=O)CC1)NCCc1cc2ccccc2[nH]1 159520533 GXBZBIBARCIQJG-UHFFFAOYSA-N 335.429 0.557 70 20 ECID COCCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 993825936 PLTCEGSBLNKFLQ-PWSUYJOCSA-N 347.412 0.902 70 20 ECID CC[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1c(C)noc1C 160349643 YMQJHYZLGVILJX-LLVKDONJSA-N 334.380 0.852 70 20 ECID Cn1ccnc1CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 160789878 RWKNEXNDMOGTSZ-UHFFFAOYSA-N 335.433 0.390 70 20 ECID C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NCc1cnn(C)c1)C2=O 160899097 ORHLOWTZHMOAMI-RYUDHWBXSA-N 347.419 0.783 70 20 ECID C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H]1CCC[C@H](N)C1)C2=O 160950065 XSXRMRLZDOFWOC-ZHRONYKTSA-N 336.436 0.873 70 20 ECID C[C@@H](O)CN1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1003643492 OZVRPJSDDCMFNU-SECBINFHSA-N 333.385 0.248 70 20 ECID CCCC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938845002 YTWVVWXEOLUYBX-VIFPVBQESA-N 331.369 0.804 70 20 ECID CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 957838907 AWVQZMSIZDOAFK-DCAQKATOSA-N 343.380 0.802 70 20 ECID COCCN[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209678673 MGWLPESRTOWSOD-JTQLQIEISA-N 333.385 0.514 70 20 ECID C/C=C(/C)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999954905 XGXYXXSVBGSBJI-BAQGIRSFSA-N 329.353 0.580 70 20 ECID CC(=O)N1C[C@H]2CN(C(=O)c3cccc(S(=O)(=O)F)c3)C[C@H]2C1 1338068789 RBJWNXUAYDQJIV-BETUJISGSA-N 340.376 0.895 70 20 ECID Cc1nc2n(n1)C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1516689119 FINGHXSPKKOSGO-MRVPVSSYSA-N 327.341 0.318 70 20 ECID C#CCN1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1023590737 FANQYGAJEBGJLH-LLVKDONJSA-N 327.381 0.748 70 20 ECID COCC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H]1C 1011393005 XCGDDXUGSUPGME-WPRPVWTQSA-N 347.368 0.039 70 20 ECID C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346341111 MMWDRMVBSNOVQL-YUMQZZPRSA-N 338.382 0.321 70 20 ECID O=S(=O)(NC[C@@H](O)COc1ccc(F)c(F)c1)c1c[nH]cn1 161298173 XCBUCPLNBVQKHX-MRVPVSSYSA-N 333.316 0.406 70 20 ECID CCNC(=O)CNC(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1 160059435 ZANRPYVZVLCSPE-UHFFFAOYSA-N 343.387 0.680 70 20 ECID CN1CCO[C@H]2CN(C(=O)Nc3ccn(CC(F)(F)F)n3)C[C@@H]21 160519646 OUPUSCBSQLSYOO-UWVGGRQHSA-N 333.314 0.992 70 20 ECID CS(=O)(=O)NCCCNC(=O)Cc1c[nH]c2cc(F)ccc12 159611478 GHYCUQZOHQEPBI-UHFFFAOYSA-N 327.381 0.905 70 20 ECID CC[C@H](NC(=O)[C@@H](C)NC(N)=O)[C@@H]1CN(Cc2ccccc2)CCO1 159646505 KSGNGNXWOVMHEE-KBMXLJTQSA-N 348.447 0.839 70 20 ECID Cc1oc(C(=O)NCC(C)(C)N)cc1S(=O)(=O)N1CCCC1 159963991 UXDYHUSNRJHXSN-UHFFFAOYSA-N 329.422 0.840 70 20 ECID C#CCN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@H]21 1036822987 AMRJXFAAPYDNKS-BXUZGUMPSA-N 339.392 0.843 70 20 ECID COCCCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1179550259 UWQWFCWMKOACKA-JQWIXIFHSA-N 347.412 0.902 70 20 ECID CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 161135444 RGBIUZKHBXBLCD-GFCCVEGCSA-N 325.390 0.780 70 20 ECID CCCN(CC)c1ccc(C(=O)NCCNS(=O)(=O)CC)cn1 160033671 OEUPBYZLABCHER-UHFFFAOYSA-N 342.465 0.987 70 20 ECID C[S@@](=O)c1cccc(NC(=O)NCCNC(=O)c2ccn[nH]2)c1 160236412 KXSGFVFWYDRWGC-QHCPKHFHSA-N 335.389 0.699 70 20 ECID CC[C@H](O)CCNC(=O)NCc1ccc(N2CCN(C)CC2)nc1 160872773 JQUXFKPWTRPGCW-HNNXBMFYSA-N 335.452 0.794 70 20 ECID CN(CC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccccc1 159462110 XENISUPQGYLCCE-CYBMUJFWSA-N 325.434 0.521 70 20 ECID CC(=O)N(C)C1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 159664851 ZILWKEZOISTPMH-MRXNPFEDSA-N 333.436 0.858 70 20 ECID C=CCCN1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1035509455 DLRBFSGJWGLPGQ-NSHDSACASA-N 345.396 0.680 70 20 ECID CC(=O)NC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1020812740 NKUCTERZADPHRZ-KOLCDFICSA-N 345.396 0.907 70 20 ECID COCCN1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1=O 864240879 DESNYPCCYBTTJE-UHFFFAOYSA-N 344.364 0.276 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCCN(CCO)CC1 948781792 ANEGVOHIFNCWCP-NSHDSACASA-N 347.412 0.592 70 20 ECID C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1cc(F)ncn1 1098288656 SEDMPJIOHKUVDG-ZETCQYMHSA-N 345.331 0.832 70 20 ECID C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1338069743 WLCWVLDUWVDBJY-GHMZBOCLSA-N 345.396 0.608 70 20 ECID O=S(=O)(CC[C@@H]1CCCO1)N1CCC(Cn2ccnn2)CC1 159476267 WIABXKVGMIBSOF-AWEZNQCLSA-N 328.438 0.889 70 20 ECID CN(CC(=O)Nc1ccc(Br)cn1)CC(C)(CO)CO 159573828 QJMRMEIBIMOWMP-UHFFFAOYSA-N 346.225 0.705 70 20 ECID COC[C@@H](O)CNS(=O)(=O)Cc1ccc(Br)cc1 160901377 KJGMNZBMNZPSQI-NSHDSACASA-N 338.223 0.876 70 20 ECID CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CO)CC(C)C)CC1=O 161088430 NETDAZIZPVPNRF-OWCLPIDISA-N 339.480 0.842 70 20 ECID CN(CC(=O)NC1(CO)CC1)S(=O)(=O)c1ccc(Cl)s1 160293423 YVVYHHHOJDDDHB-UHFFFAOYSA-N 338.838 0.663 70 20 ECID CN[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)C1 160661031 POWWOXIQNVMQMM-AWEZNQCLSA-N 339.461 0.744 70 20 ECID COCCOc1cccc(CC(=O)NCCCc2nc(=O)[nH][nH]2)c1 159842789 BDFMNASSQYXSRI-UHFFFAOYSA-N 334.376 0.415 70 20 ECID O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1Cc2ccccc2CN1 159861003 DOFIMHNTJNIQJL-QWHCGFSZSA-N 341.333 0.980 70 20 ECID CCC(=O)N1CCCN(C(=O)c2ccc3[nH]c(=O)n(C)c3c2)CC1 159921467 ZOOKDIKNSAYROI-UHFFFAOYSA-N 330.388 0.951 70 20 ECID C/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938844692 MEBUOBBAIWVGPA-RZCNENHTSA-N 343.380 0.970 70 20 ECID COCCNC(=O)C1(NC(=O)c2ccc(S(=O)(=O)F)cc2)CC1 864244129 MAPJJKYPCMDALH-UHFFFAOYSA-N 344.364 0.370 70 20 ECID C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@]1(O)CCOC1 160004122 WUPINGUSNJRIQZ-UWWQBHOKSA-N 333.432 0.958 70 20 ECID CCC(O)(CC)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 160206550 JNPTZOFZWFYGMF-UHFFFAOYSA-N 341.433 0.706 70 20 ECID CCN(C(=O)[C@H](C)Nc1cc(C)n(C)n1)[C@@H]1CCS(=O)(=O)C1 159629400 CHLVIPQIBRPSQW-NWDGAFQWSA-N 328.438 0.565 70 20 ECID CCn1cc(S(=O)(=O)NC[C@@H](O)COc2ccc(F)cc2)cn1 159986679 AEFQSFRNSJVMOE-GFCCVEGCSA-N 343.380 0.760 70 20 ECID CCOC(=O)C[C@H](O)COC(=O)c1ccc(S(=O)(=O)F)cc1 859710411 HYRDVGXSEOIZLR-JTQLQIEISA-N 334.321 0.816 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1CNCC#N 1185168921 KKJVSBJOQKOWRF-WDEREUQCSA-N 342.396 0.884 70 20 ECID CO[C@H](C)CN(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192399289 XYEUEMJFKJQRDG-GHMZBOCLSA-N 347.412 0.854 70 20 ECID CS(=O)(=O)CCCCN1CCN(C(=O)c2ccc(O)cc2)CC1 161398086 DJBKVXRSQBBSCO-UHFFFAOYSA-N 340.445 0.975 70 20 ECID CN(C)C(=O)CCCC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 160506098 RLNGZZIMQBDDLW-SJORKVTESA-N 347.459 0.997 70 20 ECID C#CCCN1CCOC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051115995 GHJFXXAMAQQAGZ-LLVKDONJSA-N 343.380 0.127 70 20 ECID CC[C@@H](C)[C@H](NC(=O)CN1CCN(c2ccncc2)CC1)C(=O)OC 161370541 VGUJBAAMTIXEDN-PBHICJAKSA-N 348.447 0.908 70 20 ECID CC(C)(N)CNC(=O)CSCc1cc(=O)n2ccsc2n1 160014739 JDZJLDNAZSEMOR-UHFFFAOYSA-N 326.447 0.843 70 20 ECID CC(C)CC(=O)NCCC(=O)NCCCCN1CCN(C)CC1 160409522 KWMOZAUEKDCEPR-UHFFFAOYSA-N 326.485 0.683 70 20 ECID C[C@@]1(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CCNC1 160977645 GLVBBOHDKSPQSB-KBXCAEBGSA-N 331.416 0.782 70 20 ECID COC[C@@H](O)CNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 159463536 WYIABUNZMYLRAK-NSHDSACASA-N 335.335 0.417 70 20 ECID C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1052715129 AIRVDJDHROXGEX-NSHDSACASA-N 327.381 0.890 70 20 ECID CCOC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)CC1 217289103 LVTZNHVBLOAZDX-LBPRGKRZSA-N 326.397 0.479 70 20 ECID C[C@H](O)CNC1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1026560560 VVDIRSDMNGRRPH-WHXUTIOJSA-N 347.412 0.684 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2CCC[C@H](C1)N2CCO 1039921267 LSOLQERSUONQSB-PHIMTYICSA-N 345.396 0.344 70 20 ECID CC[C@](COC)(NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(=O)O 1595189442 MOSJFRUHJOPUHB-CQSZACIVSA-N 347.364 0.883 70 20 ECID C#CCNC[C@@]1(C)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1754705670 IIKHIDXPTSCBGB-CQSZACIVSA-N 327.381 0.748 70 20 ECID COC[C@@H](C)N1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808565 MEMNOBUOYSSUHZ-MNOVXSKESA-N 347.412 0.760 70 20 ECID Cn1cc([C@H]2CN(c3ccc(S(=O)(=O)F)cn3)C[C@H]2CO)cn1 1551211139 ZJFNIKWXJNHFQL-WCQYABFASA-N 340.380 0.686 70 20 ECID CC1(C)CN(C(=O)c2ccc(-n3cncn3)cc2)CCS1(=O)=O 160101030 AQCVJZILRIUURI-UHFFFAOYSA-N 334.401 0.917 70 20 ECID C[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)[C@@H]1CN(C)CCO1 160837037 FPUSQJAVZRSXCB-WBVHZDCISA-N 347.463 0.628 70 20 ECID NC(=O)[C@@H]1Cc2ccccc2N1CCN1C(=O)NC2(CCCC2)C1=O 159849413 FIXGMSQZJORTRB-AWEZNQCLSA-N 342.399 0.768 70 20 ECID C[C@@H]1CCN(CCO)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 968333873 ARELUNKAJYLNGY-SKDRFNHKSA-N 333.385 0.105 70 20 ECID CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346291356 RVHSNUWXFSXURK-NSHDSACASA-N 347.412 0.856 70 20 ECID O=C(N[C@@H]1CCc2ncnn2C1)N1CCO[C@H](c2nccs2)C1 161122780 DBVOYVZDYFIMHY-MNOVXSKESA-N 334.405 0.833 70 20 ECID O=C(Cn1c(-c2cccnc2)noc1=O)NC(=O)NCc1ccco1 161309342 HEWCLEVZZULXGB-UHFFFAOYSA-N 343.299 0.517 70 20 ECID O=C(CCn1nnc2ccccc2c1=O)N(CCCCO)C1CC1 160190043 OZTJUJJYFDUFCT-UHFFFAOYSA-N 330.388 0.945 70 20 ECID CCS(=O)(=O)CCN(C)C(=O)NCCc1cn2c(n1)CCCC2 159606518 FAZJCIRHDJKPRF-UHFFFAOYSA-N 342.465 0.838 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCOC(C)(C)C1)CC2 159802339 ZVTZYVGABFVUBF-NWDGAFQWSA-N 337.424 0.996 70 20 ECID O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1Cc2ccccc2CN1 159860770 DOFIMHNTJNIQJL-CHWSQXEVSA-N 341.333 0.980 70 20 ECID CN1CC[C@@H](N(C)C(=O)CCc2ccc(S(=O)(=O)F)cc2)C1=O 1338835048 RNOSUYNMHWCYNK-CYBMUJFWSA-N 342.392 0.967 70 20 ECID O=C(N[C@@H](C[C@@H]1CCCO1)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601410392 ZBMBQYAJPHGVOY-XVKPBYJWSA-N 334.325 0.425 70 20 ECID CCOC(=O)N1CCN(C(=O)CN(CC)Cc2cnn(C)c2)CC1 161076577 WPSFBBRPOAIUJS-UHFFFAOYSA-N 337.424 0.543 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(-n2cnnc2)cc1 160487860 INZHPWGRRIOZOR-MRXNPFEDSA-N 329.404 0.844 70 20 ECID COCCS(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 160557849 GMNVMDLDIJOIHP-UHFFFAOYSA-N 346.836 0.960 70 20 ECID O=C(c1cccc(S(=O)(=O)F)c1)N1CCN([C@H]2CCOC2)CC1 1517958213 URGHXEOQYOFZEQ-ZDUSSCGKSA-N 342.392 0.892 70 20 ECID O=C(N[C@H]1Cc2ccccc2NC1=O)c1cc(S(=O)(=O)F)c[nH]1 1521709093 VHAYASPYMVRXJT-LBPRGKRZSA-N 337.332 0.966 70 20 ECID O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N[C@@H]1c2ccccc2C[C@H]1O 159889794 HEROBZVQDGFWJM-JYYAWHABSA-N 342.395 0.936 70 20 ECID CNC(=O)[C@@]12CCOC[C@@H]1CN(c1ccc(S(=O)(=O)F)cn1)C2 1551409837 OHDHDLNXSQWAKL-IINYFYTJSA-N 343.380 0.329 70 20 ECID CCCc1nccn1CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 161420022 NQOMWJONSHPEMW-ZDUSSCGKSA-N 343.449 0.498 70 20 ECID CN1CCO[C@@H]2CN(C(=O)CNC(=O)Cc3cccc(F)c3)C[C@@H]21 159678109 SUANHCBQDMMYMP-LSDHHAIUSA-N 335.379 0.026 70 20 ECID CCCN1CC2(C[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CO2)C1 1053926489 HFSLWNBCLMYKJZ-JTQLQIEISA-N 345.396 0.656 70 20 ECID CO[C@@H](C)CN[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1209679155 QRIZHXFLUQVOFO-QWRGUYRKSA-N 347.412 0.902 70 20 ECID COCc1nc2n(n1)C[C@H](Nc1c(C)c(C)nc3ncnn13)CC2 161336316 PPXXDOBDBXKOIH-LLVKDONJSA-N 328.380 0.906 70 20 ECID CCn1cc(NC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cn1 161466469 IOPYFLWQGJXJOW-ZDUSSCGKSA-N 347.419 0.749 70 20 ECID Cc1cc(C(=O)NCCN(C)C(C)C)nc2c1c(=O)n(C)c(=O)n2C 160184395 IDXVSHWIGQLZAE-UHFFFAOYSA-N 347.419 0.011 70 20 ECID CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC[C@@H]3CN)ccc21 160192594 SRXVCSRVLNZKNJ-CQSZACIVSA-N 337.445 0.962 70 20 ECID CCNS(=O)(=O)c1ccc(/C=C/C(=O)N(C)[C@H](C)CO)cc1 160547490 UUMCGSGXBYYBAK-OFFHKIPUSA-N 326.418 0.837 70 20 ECID CC(C)N1C[C@@H](NC(=O)N2CCN(c3ccccn3)CC2)CC1=O 217289141 NINUZATYEIYBKH-AWEZNQCLSA-N 331.420 0.923 70 20 ECID O=C(N[C@@H]1CCCN(CCCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1052716503 NTLXDJGKWYBORY-LLVKDONJSA-N 347.412 0.640 70 20 ECID O=C(NCCC1(CNCCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1167258297 XGXQNFNUNQUWJY-UHFFFAOYSA-N 333.385 0.155 70 20 ECID NC(=O)N1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1263790983 GJCAOVIPOBSEMF-QMMMGPOBSA-N 332.357 0.193 70 20 ECID CC[C@](COC)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC 1354887214 ZYQDYVOSRAKFNO-GFCCVEGCSA-N 336.341 0.371 70 20 ECID O=[N+]([O-])c1ccc(NC[C@H]2CNC[C@H]2O)c(CS(=O)(=O)F)c1 1580875911 UMMDQKMIWUOBQO-BXKDBHETSA-N 333.341 0.386 70 20 ECID O=C(NC[C@@H]1CCCS1(=O)=O)N1CCN(c2ccncc2)CC1 160214838 MMHKSHMNSOXHSO-AWEZNQCLSA-N 338.433 0.490 70 20 ECID Cc1ccc([C@H](CNC(=O)[C@H]2CCNC(=O)C2)N2CCOCC2)o1 160232752 QVOGXJGSCONSGB-KBPBESRZSA-N 335.404 0.604 70 20 ECID CC1(O)CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 160633028 XRLPTTRMAOHXPB-UHFFFAOYSA-N 333.431 0.626 70 20 ECID CC(C)C(=O)N[C@@H]1CCCN(C(=O)CNC(=O)c2cccnc2)C1 159631637 SYXDMFDFSAHUOL-CQSZACIVSA-N 332.404 0.575 70 20 ECID CC(C)CCn1ccc(NC(=O)C(=O)N(C)CCN2CCCC2=O)n1 159727889 HHTUMWHMJLEHIN-UHFFFAOYSA-N 349.435 0.949 70 20 ECID CC(C)CCn1ccc(NC(=O)C(=O)N2CCn3cnnc3C2)n1 159395773 GMHSEUBBJMLHMF-UHFFFAOYSA-N 331.380 0.502 70 20 ECID CCCN(C(=O)[C@H](C)Nc1cc(C)n(C)n1)[C@H]1CCS(=O)(=O)C1 159592071 UVRKNHQRXURFOB-STQMWFEESA-N 342.465 0.955 70 20 ECID C#CCN1C[C@H]2C[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]1C2 1047147452 XVPBDQKNMDPBAR-SDDRHHMPSA-N 339.392 0.889 70 20 ECID C[C@H](O)CN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1(C)C 996307532 FESNCKCVVMXZRO-JOYOIKCWSA-N 347.412 0.494 70 20 ECID Cc1nc(C[C@H]2CCCN(C(=O)N[C@@H]3CCc4ncnn4C3)C2)no1 161311505 GKERUFLHHSFDCI-CHWSQXEVSA-N 345.407 0.949 70 20 ECID Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC(O)C3)C2)s1 161424588 KDAHICMEGVBVAH-NSHDSACASA-N 344.458 0.660 70 20 ECID CC[C@H](COC)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 160294347 ZYDFRUUOIREWSP-SNVBAGLBSA-N 327.406 0.580 70 20 ECID CN[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)C1 160810183 LQUZJHXDKIRKCF-WDEREUQCSA-N 349.460 0.882 70 20 ECID Cn1c(=O)oc2cc(NC(=O)NCCNC(=O)c3ccn[nH]3)ccc21 159537730 TWCCUSWXLVGBQV-UHFFFAOYSA-N 344.331 0.406 70 20 ECID O=C(NC[C@@H](CO)Cc1cccnc1)c1cc(S(=O)(=O)F)c[nH]1 1123728452 XHQXWERRZWYCDD-NSHDSACASA-N 341.364 0.649 70 20 ECID C[C@@H]1C[C@H](CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1133976374 NDOTZJBRAOOFEW-GHMZBOCLSA-N 347.412 0.807 70 20 ECID CS[C@H](C)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999954920 XSAOZKKHBZAYAT-SSDOTTSWSA-N 349.409 0.365 70 20 ECID COCCc1noc(CN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1354469406 KNHKVCNQOGBPNK-UHFFFAOYSA-N 346.340 0.517 70 20 ECID COC[C@@H](O)CCNC(=O)c1ccc(N2CCOCC2)c(F)c1 161470803 GRLWCGZECNQNMO-ZDUSSCGKSA-N 326.368 0.790 70 20 ECID CCNC(=O)CNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C 160059307 AYGLJMSZSCLNJS-UHFFFAOYSA-N 347.350 0.511 70 20 ECID O=C(NCCNC(=O)c1ccn[nH]1)Nc1cnn(CC(F)(F)F)c1 160536564 YTWYZHURAFOHSG-UHFFFAOYSA-N 345.285 0.720 70 20 ECID CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccnc(-n2cccn2)c1 160624272 KQSRTOMXFDYHRI-CYBMUJFWSA-N 349.416 0.421 70 20 ECID CC[C@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)c1c[nH]cn1 160829991 WYNYQCIWPHOFRV-LLVKDONJSA-N 343.430 0.941 70 20 ECID C[C@H](NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1CCC1 160893664 CBHWVBDHQRRCAD-VIFPVBQESA-N 331.376 0.942 70 20 ECID CN(C)CC(=O)N1CCN(C(=O)CCCc2nc(C3CC3)no2)CC1 159681864 IHAZTBAXPSCULL-UHFFFAOYSA-N 349.435 0.502 70 20 ECID CCOC(=O)N1CCC(NC(=O)N[C@H]2CC(=O)N(C(C)C)C2)CC1 217288931 KOSAKNVDSWWRLS-ZDUSSCGKSA-N 340.424 0.916 70 20 ECID O=C(N[C@H]1C[C@@H](NCCO)C12CCC2)c1cc(S(=O)(=O)F)c[nH]1 1078728191 DVJFZIXSXOQXBD-NEPJUHHUSA-N 345.396 0.296 70 20 ECID O=C(N[C@H](CO)CN1CCCCC1)c1cc(S(=O)(=O)F)c[nH]1 1347341098 XSWODNXXUAKURT-JTQLQIEISA-N 333.385 0.250 70 20 ECID C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1348647870 WNTKDZLPNAZDPA-SSDOTTSWSA-N 326.371 0.178 70 20 ECID O=C(/C=C/C(=O)Nc1ccc2[nH]ncc2c1)NCCN1CCOCC1 161178463 ULPXUKBAPFKDOL-ONEGZZNKSA-N 343.387 0.506 70 20 ECID Cc1conc1NC(=O)C(=O)N1CCN(Cc2cccnc2)CC1 160359570 KUBICMZSIGJYIM-UHFFFAOYSA-N 329.360 0.661 70 20 ECID O=C(Cn1ncc(=O)c2ccccc21)NCC1CCN(CCO)CC1 160693788 SAGVLCDXXYYRQI-UHFFFAOYSA-N 344.415 0.217 70 20 ECID CN(Cc1cccn1C)C(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 160843773 IRCAIHGHDJFEOE-VZAMPYOESA-N 327.384 0.791 70 20 ECID CCn1cc(S(=O)(=O)NC[C@H](O)COc2ccc(F)cc2)cn1 159986541 AEFQSFRNSJVMOE-LBPRGKRZSA-N 343.380 0.760 70 20 ECID O=C(NC1(CNC(=O)C2CC2)CCC1)c1cc(S(=O)(=O)F)c[nH]1 1062381936 DDJJAMOENMCUPO-UHFFFAOYSA-N 343.380 0.852 70 20 ECID CC[C@H](CN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)OC 1015716600 ZEHPMKABCBCKQT-GHMZBOCLSA-N 347.412 0.902 70 20 ECID CC(C)C(=O)N1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 1013806125 FBRAVOCRXFIKGC-UWVGGRQHSA-N 343.380 0.516 70 20 ECID C[C@@H](O)CN1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808856 PHOVGKKICNMKOJ-NXEZZACHSA-N 333.385 0.105 70 20 ECID CCC(=O)N1CC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 978419935 UWSCEDBHFQDHQF-VIFPVBQESA-N 331.369 0.756 70 20 ECID Cc1ncc(CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)o1 1166871899 WKCMCXWIVCQYLQ-UHFFFAOYSA-N 344.368 0.879 70 20 ECID Cc1nn(C)c2c1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CCO2 1354469608 NQGSGLLOVUSYAX-UHFFFAOYSA-N 328.325 0.754 70 20 ECID Cc1ccc(C)n1-c1c(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cnn1C 161450464 JMNJHRVSYWCSKS-OCCSQVGLSA-N 345.403 0.590 70 20 ECID CCCN(C(=O)[C@H](C)N(C)C[C@H](O)C1CC1)[C@H]1CCS(=O)(=O)C1 160815312 CVWHOGWJMHCITH-QEJZJMRPSA-N 346.493 0.503 70 20 ECID CS(=O)(=O)NCCCNC(=O)CCc1nc(-c2ccoc2)no1 159460117 PYNWACGWTZKGTM-UHFFFAOYSA-N 342.377 0.318 70 20 ECID CC(=O)N1CCCO[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1019674330 HFKJEGJULOXVHR-JTQLQIEISA-N 347.368 0.040 70 20 ECID O=C([C@H]1C[C@@H](O)CN1)N1CCN(c2nc3ccccc3s2)CC1 216919322 IOZWXWQZIHAGPM-DGCLKSJQSA-N 332.429 0.668 70 20 ECID C[C@@H]1CN(C)C(=O)CN1C(=O)CCc1ccc(S(=O)(=O)F)cc1 1338858474 ZXBMLFYTRWYLBB-LLVKDONJSA-N 342.392 0.967 70 20 ECID CCNCC1CCN(C(=O)c2ccc(S(=O)(=O)NC)o2)CC1 161140349 ZXKOJMGXBNNXEU-UHFFFAOYSA-N 329.422 0.649 70 20 ECID CC[C@H](C)[C@H](NC(=O)CN1CCN(c2ccncc2)CC1)C(=O)OC 161370658 VGUJBAAMTIXEDN-YOEHRIQHSA-N 348.447 0.908 70 20 ECID CC(=O)N[C@H](C)C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 160059944 SVOACLPUUHJJOF-GFCCVEGCSA-N 329.404 0.732 70 20 ECID Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)cc1C 159661825 TUINYUZQMWOWDY-CVEARBPZSA-N 331.416 0.575 70 20 ECID CC(C)(C)S(=O)(=O)CC(=O)N1CCN(c2cnccn2)CC1 159750110 NAWITDVGHUIDAH-UHFFFAOYSA-N 326.422 0.339 70 20 ECID CC[C@@H](CN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)OC 1015716601 ZEHPMKABCBCKQT-MNOVXSKESA-N 347.412 0.902 70 20 ECID C[C@H](O)CN(C)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1027583626 XYCQYBPENYPSKL-WDEREUQCSA-N 347.412 0.590 70 20 ECID C[C@H](O)CN1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808857 PHOVGKKICNMKOJ-UWVGGRQHSA-N 333.385 0.105 70 20 ECID CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1047529472 CQCSQQIJHCSQJV-RYUDHWBXSA-N 333.385 0.200 70 20 ECID C[C@@H](O)CN(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 972360187 WNHIFZNCSVHVMN-ZJUUUORDSA-N 333.385 0.200 70 20 ECID C[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999955728 QUFZDLFZKYAFRY-GMSGAONNSA-N 329.353 0.270 70 20 ECID C#CCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 1088864654 XRCMFZKFMAMSRD-PWSUYJOCSA-N 327.381 0.889 70 20 ECID O=C(CCc1ccc(S(=O)(=O)F)cc1)N1CCCn2nnnc21 1518232509 QJCPQHFRZRCJSO-UHFFFAOYSA-N 339.352 0.701 70 20 ECID Cc1cc(C[C@H](C)NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n[nH]1 161326340 PMNQASKCPRUEQK-XXFAHNHDSA-N 333.392 0.486 70 20 ECID CN(CC(=O)NCCc1cc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 159500723 JFFCUPSPEIWMCR-HNNXBMFYSA-N 349.456 0.946 70 20 ECID O=C(NC1CN(C[C@@H]2CCCCO2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030972023 HRPPLWDGLXTQST-NSHDSACASA-N 345.396 0.656 70 20 ECID COCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 942860314 RJFFKUNUNZOEJB-PWSUYJOCSA-N 347.412 0.760 70 20 ECID C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC 1123828615 HQUILZRGIFQSMV-SNVBAGLBSA-N 334.325 0.147 70 20 ECID CNS(=O)(=O)c1ccc(CNC(=O)[C@@]2(C)CCCNC2)s1 161320652 CSZPKTWKBXZUKH-ZDUSSCGKSA-N 331.463 0.662 70 20 ECID CCC(=O)c1cccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c1 161500390 ZEADAAFRPULAHA-OAHLLOKOSA-N 328.434 0.870 70 20 ECID CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 159704682 RWVLZKFZVOIRKH-NQBHXWOUSA-N 328.438 0.782 70 20 ECID CCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1 857674765 OZTIZRAJOGWNMU-UHFFFAOYSA-N 327.330 0.857 70 20 ECID CC1(C(=O)N2CC[C@H]2CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 952164525 WHVKQWFFBGVHJK-VIFPVBQESA-N 343.380 0.804 70 20 ECID CC(=O)N1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]2C1 959773277 WFOUYKWLJLCVGT-AOOOYVTPSA-N 329.353 0.223 70 20 ECID N#Cc1ccc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1 1094126146 AMJVBBCQMNUFDY-UHFFFAOYSA-N 337.336 0.781 70 20 ECID CC(C)[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N1CCOCC1 1336406146 JIJXTFJWVUDXIK-ZDUSSCGKSA-N 347.412 0.760 70 20 ECID Cc1ccc(C(=O)N2CCN(C(=O)C3(NC(N)=O)CC3)CC2)cc1F 161110436 GDDMPOPZADBFJK-UHFFFAOYSA-N 348.378 0.619 70 20 ECID C[C@H](CO)CNC(=O)CC1(CC(=O)NC[C@@H](C)CO)CCCC1 160530093 SDBBZKFEKMWOOV-OKILXGFUSA-N 328.453 0.816 70 20 ECID CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 979945345 SFZRSSWVPXCICJ-MVWJERBFSA-N 343.380 0.660 70 20 ECID C[C@H](CNS(=O)(=O)c1c[nH]c2ncccc12)CN1CCOCC1 160369688 DHLDVSUFONOHOP-GFCCVEGCSA-N 338.433 0.810 70 20 ECID CC(=O)NC1(C(=O)NC[C@@H](O)CN2CCCCC2)CCCCC1 160595876 LZVNIPCKLPDZBJ-OAHLLOKOSA-N 325.453 0.788 70 20 ECID C[C@H]1CC[C@H](C(N)=O)CN1Cc1cnc(N2CCN(C)CC2)nc1 159622974 FCKLSMFBEHRZEP-ZFWWWQNUSA-N 332.452 0.314 70 20 ECID O=C(CSCCN1CCOCC1)NC1CCN(C2CC2)CC1 159856068 NFVNBPMCJHTJTG-UHFFFAOYSA-N 327.494 0.795 70 20 ECID O=C(O)[C@H]1CCCN1C(F)(F)COS(=O)(=O)C(F)(F)F 849343120 CMUILLOCHXFSFS-RXMQYKEDSA-N 327.227 0.994 70 20 ECID C[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1076256169 NMWMORNDLSHPHU-GBIKHYSHSA-N 345.396 0.200 70 20 ECID C[C@@H]1CCNC(=O)[C@H]1NC(=O)CCc1ccc(S(=O)(=O)F)cc1 1338168080 XAGHYEHCGHGMOU-YGRLFVJLSA-N 342.392 0.918 70 20 ECID CN(CC(=O)N1CCCC1)C(=O)Cc1ccc(S(=O)(=O)F)cc1 1339086709 SUPNFGVAYPWOIE-UHFFFAOYSA-N 342.392 0.968 70 20 ECID C=CCOCCN[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1752760940 BOKPMHAITOIZBY-PHIMTYICSA-N 345.396 0.726 70 20 ECID CN(C1CCCCC1)S(=O)(=O)NCC1CCN(CCO)CC1 161405433 JPDKWXBYHRJQCP-UHFFFAOYSA-N 333.498 0.790 70 20 ECID CCCN(CCC)C(=O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 159430376 MJHGWEWWXVROQW-UHFFFAOYSA-N 348.447 0.781 70 20 ECID C#CCN1CC[C@@H](N(CC)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1033954318 STRWRHQWEFDQOS-LLVKDONJSA-N 327.381 0.843 70 20 ECID C#CCN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@@H]21 1036822989 AMRJXFAAPYDNKS-RISCZKNCSA-N 339.392 0.843 70 20 ECID CN(c1ncccn1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460093759 LYMCODUOAMSCHL-UHFFFAOYSA-N 331.350 0.960 70 20 ECID CC(=O)N1CCC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1001990252 XSLCXGZSQXJWRU-JTQLQIEISA-N 331.369 0.756 70 20 ECID O=C(N[C@H]1[C@@H]2CN(CCCF)C[C@@H]21)c1cc(S(=O)(=O)F)c[nH]1 961790992 RBKMNYSJWOOIHU-IAZYJMLFSA-N 333.360 0.693 70 20 ECID C[C@@H](O)CN[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1082749666 QGDMDIPNPRBKSX-KBVBSXBZSA-N 333.385 0.104 70 20 ECID C[C@@H](C(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CC1 990687737 NNSVLEAYXMSBQM-MRVPVSSYSA-N 343.380 0.660 70 20 ECID C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 993818405 FOVOKPKPXPYYAL-ZYHUDNBSSA-N 327.381 0.889 70 20 ECID COC[C@@H](O)CCNC(=O)c1ccc(CN2CCN(C)CC2)cc1 161352072 LEHGDHZFMGQJEB-KRWDZBQOSA-N 335.448 0.561 70 20 ECID CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1nc(C(C)(C)C)ns1 160031152 LQVVMGLSQVJYPZ-VIFPVBQESA-N 346.478 0.575 70 20 ECID CNC(=O)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C 160608412 KTWOEATYWXZRIO-UHFFFAOYSA-N 347.350 0.511 70 20 ECID COC[C@H](O)CNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 159385683 WTTXHEORZMWCFI-WDEREUQCSA-N 328.800 0.620 70 20 ECID CCCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090575226 DCGVSUGROMUOHG-DGCLKSJQSA-N 347.412 0.638 70 20 ECID C[C@@H]1C[C@H](C(=O)Nc2ncc(S(=O)(=O)F)s2)O[C@H]1C(=O)O 1599876961 ZMHXHUNPRXCQIM-WYDQCIBASA-N 338.338 0.618 70 20 ECID O=C(c1ccc(=O)[nH]c1)N1CCN(CCOC[C@H]2CCCO2)CC1 159439285 MXXONKOMMHKDDH-OAHLLOKOSA-N 335.404 0.328 70 20 ECID CC(C)N1C[C@@H](NC(=O)NCCNC(=O)OC(C)(C)C)CC1=O 217289337 UJRWFFBJLOOWAE-NSHDSACASA-N 328.413 0.820 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C[C@H]2CCOC2)CC1 950561421 CLBYUTIGFJKUMP-LLVKDONJSA-N 345.396 0.467 70 20 ECID C[C@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 990132853 BDSBYXUVZWUXMP-XVKPBYJWSA-N 329.353 0.270 70 20 ECID O=C1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)ccc2Cl)CN1 1337475084 OPZFTEPZAKQUIW-ZETCQYMHSA-N 334.756 0.864 70 20 ECID O=C(N[C@H]1COc2ccccc2[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1347341000 WINRFRGJGVKSRZ-AAEUAGOBSA-N 340.332 0.897 70 20 ECID COC(=O)C1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOCC1 1346319703 LGFPAECATHVMDD-UHFFFAOYSA-N 348.352 0.373 70 20 ECID N#CC1(C(=O)O)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1601055302 IJGDVFNAYKQKSE-UHFFFAOYSA-N 329.309 0.503 70 20 ECID CCc1nnc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)o1 1133976695 QJQYDESDQXXQGG-UHFFFAOYSA-N 345.356 0.138 70 20 ECID CCCNC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1201418614 BQGFHJDAFUBVQK-NSHDSACASA-N 347.412 0.904 70 20 ECID C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C)CC1 1263716480 DFQJHUYJFYWTCM-SNVBAGLBSA-N 332.401 0.039 70 20 ECID CN(C)S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 160557729 KBWCVLGDDAORLD-UHFFFAOYSA-N 331.825 0.791 70 20 ECID Cc1cccc2nc(CNC(=O)C(C)(C)NS(C)(=O)=O)n(C)c12 159826270 BSTVWCHVAPOEKS-UHFFFAOYSA-N 338.433 0.826 70 20 ECID Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCOCC2)cn1 159931739 CXXNBMZRVLACPK-OAHLLOKOSA-N 334.420 0.802 70 20 ECID CC(C)N1C[C@@H](NC(=O)N2CCN(c3ncccn3)CC2)CC1=O 217288924 IRMLNHDYXUAAIQ-ZDUSSCGKSA-N 332.408 0.318 70 20 ECID Cc1ncc(CN2CC(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)o1 1030972121 MOYXDIDAZRMLAC-UHFFFAOYSA-N 342.352 0.584 70 20 ECID C#CCNC[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCO1 1201420664 NRCOACBLPYLMLA-NSHDSACASA-N 343.380 0.127 70 20 ECID O=C(N[C@H]1C[C@@H](NC(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 973775433 IHIQEUKXYYCHST-DTORHVGOSA-N 329.353 0.460 70 20 ECID C=C(C)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090575436 GKNNKDFIGCUACV-AAEUAGOBSA-N 345.396 0.414 70 20 ECID COC(=O)C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)F)c1 1338943923 POJKPNKUXOGXNF-NSHDSACASA-N 345.348 0.749 70 20 ECID COC(=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1528549666 JSOZENKWXAXKAH-WCBMZHEXSA-N 332.353 0.944 70 20 ECID COCCNC(=O)CN1CCN(C(=O)c2ccc(C(C)C)nc2)CC1 161175906 FXJZFZZGARIBSW-UHFFFAOYSA-N 348.447 0.725 70 20 ECID COc1ccc(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)nn1 159713878 OSHXGVJNGQRYNO-ZDUSSCGKSA-N 331.376 0.840 70 20 ECID COCC(=O)N(C)CC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 159769799 IESRCIQSSMMECN-CYBMUJFWSA-N 337.395 0.873 70 20 ECID CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1c[nH]c2ncccc12 159599121 JUMOVEADFZKTMO-UHFFFAOYSA-N 343.430 0.761 70 20 ECID COCCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1106676009 XRVCWAFWHIJVOJ-GHMZBOCLSA-N 347.412 0.617 70 20 ECID NC(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1 1336922437 UZARWMWZCKJGLG-UHFFFAOYSA-N 341.320 0.789 70 20 ECID CC(=O)N[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)C1 1354996482 ZVRFDBQBRJQOCM-GFCCVEGCSA-N 328.365 0.624 70 20 ECID COC(=O)C1(CNC(=O)Cc2ccc(S(=O)(=O)F)cc2)CC1 1354908314 CITFMINLAOSXML-UHFFFAOYSA-N 329.349 0.957 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O 161432563 ZRQAOQZGPWBLCR-RHSMWYFYSA-N 347.415 0.729 70 20 ECID CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccnn2C(C)C)CC1 160075472 FZXFFRCMLGAJKK-UHFFFAOYSA-N 335.408 0.273 70 20 ECID CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cccc(-c2ncn[nH]2)c1 160127310 SKUDUIYYXAYHSE-CYBMUJFWSA-N 349.416 0.626 70 20 ECID CCC[C@H](O)CNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 160414090 OOUKFXIVJRMKIT-HNNXBMFYSA-N 348.447 0.788 70 20 ECID CN(C)c1ccc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cn1 160690856 SSAKVSLXZFMMOR-YPMHNXCESA-N 340.449 0.595 70 20 ECID Cc1cn(-c2ccccc2)nc1NC(=O)N1CCN(C(=O)CO)CC1 160814875 GMNKZNAOMDTTNL-UHFFFAOYSA-N 343.387 0.849 70 20 ECID O=C1C[C@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CCN1 159673972 JLEHLDFABYGDCZ-CVEARBPZSA-N 331.416 0.530 70 20 ECID CCCCc1cc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)[nH]n1 159937236 HCVCDTYLUYDETB-UHFFFAOYSA-N 325.394 0.991 70 20 ECID COc1cccc(C(=O)NCC(=O)N2CCc3ncncc3C2)c1 218058535 LDEQBTHMKPXQHZ-UHFFFAOYSA-N 326.356 0.800 70 20 ECID O=C(NC1CCC(NCCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1026560518 SWENRUPIUXJZOH-UHFFFAOYSA-N 333.385 0.296 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2CC[C@H](C1)N2CCCO 1029478593 TYCHLGKOCAHIMA-PHIMTYICSA-N 345.396 0.344 70 20 ECID COC(=O)C[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)F)cc1 864241861 NZUZOTDIEVOMAA-NSHDSACASA-N 345.348 0.749 70 20 ECID O=C(NCCS(=O)(=O)CC1CC1)c1ccc(S(=O)(=O)F)cc1 889574746 QKTARNILCXENKC-UHFFFAOYSA-N 349.405 0.899 70 20 ECID CC[C@@H](F)C(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 955355105 DSSDKGXASVASTG-SNVBAGLBSA-N 349.359 0.704 70 20 ECID CO[C@H](C)CN1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961792872 WSEUZQMJLYXMSF-MIMYLULJSA-N 345.396 0.368 70 20 ECID O=C(N[C@]12CCC[C@H]1CN(CCO)C2)c1cc(S(=O)(=O)F)c[nH]1 1099035409 WJTVQRYYKHRQMI-HZMBPMFUSA-N 345.396 0.250 70 20 ECID CN1CCN(C(=O)c2cc(S(=O)(=O)F)ccc2Cl)CC1=O 1262801806 GJQWWNSAEWWFGL-UHFFFAOYSA-N 334.756 0.912 70 20 ECID CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1nc(C(C)(C)C)ns1 160031013 LQVVMGLSQVJYPZ-SECBINFHSA-N 346.478 0.575 70 20 ECID CCN(CC)C(=O)CN1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 160204818 YHVTXJHLFSGCJH-MRXNPFEDSA-N 326.485 0.585 70 20 ECID CCC(O)(CC)CNS(=O)(=O)c1cccc(-n2cnnn2)c1 160225898 GCANTFUPTWJPLO-UHFFFAOYSA-N 325.394 0.492 70 20 ECID Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC[C@@H]2CN)no1 160380555 ZHGUYNILLUUNFG-WDEREUQCSA-N 326.422 0.993 70 20 ECID C[C@@H](C(=O)N(C)Cc1cccn1C)N1C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C1=O 160498401 NUBMLVAQCCFVIL-PSWFKFNGSA-N 345.399 0.534 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1C[C@H]3CCCN3C[C@@H]1C)CC2 160686788 RQADNMXLEDHXKJ-BFHYXJOUSA-N 348.451 0.617 70 20 ECID CCN1CCCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 159852551 NUJIXLBWEKAMOV-LLVKDONJSA-N 336.358 0.887 70 20 ECID CC(=O)N1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 964384536 IRQZLJZNQXLRQF-SNVBAGLBSA-N 331.369 0.804 70 20 ECID CCOCCN(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192398785 RGBQJYYKMUAXTN-NSHDSACASA-N 347.412 0.856 70 20 ECID CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC[C@@H]3CNC)ccc21 161312034 ISMFNJLIFTVDIK-GFCCVEGCSA-N 330.388 0.534 70 20 ECID COc1ccccc1N1CC[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1=O 161336494 PCFHIDSXRVJHAI-CYBMUJFWSA-N 341.367 0.929 70 20 ECID COCc1ccc([C@@H]2CCCN2C(=O)CN(C)S(C)(=O)=O)o1 161487341 FTZMTDMSSGQODT-LBPRGKRZSA-N 330.406 0.981 70 20 ECID Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)c2cnn(C)c2n1 160038053 SXKUQFGXDHDDEH-CYBMUJFWSA-N 331.420 0.853 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)co1 160380083 LVFFIDZUIMXABW-AAEUAGOBSA-N 341.433 0.744 70 20 ECID CN[C@H]1CCN(C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)C1 160564737 QLHVWXPIPWYYFY-VIFPVBQESA-N 336.783 0.758 70 20 ECID CCc1ccc(CN(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)o1 160598849 IKWFYRLYBHZJRK-GFCCVEGCSA-N 328.434 0.967 70 20 ECID C[C@H]1NC(=O)N(CCOC(=O)c2ccc(S(=O)(=O)F)cc2)C1=O 490537817 VNZYNBVMBPKNRC-MRVPVSSYSA-N 344.320 0.442 70 20 ECID Cc1cc(NCCN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)ncn1 1101955410 JXWREIXFAUGPFD-UHFFFAOYSA-N 341.368 0.955 70 20 ECID C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164548 WULYWRVRRVFINK-FXPVBKGRSA-N 343.380 0.660 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2CCN(CCCO)C[C@H]21 1084668859 NFOQNRHAZIECPG-ZWNOBZJWSA-N 345.396 0.202 70 20 ECID Cn1cc(CNCCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1 1166871748 PYUCCZWSGNZPLI-UHFFFAOYSA-N 343.384 0.316 70 20 ECID CCC[C@@H]1CN(C(=O)NCCC(=O)N(C)C)CCN1CCOC 160503725 KKQMXXLVUGOBPU-CQSZACIVSA-N 328.457 0.607 70 20 ECID Cc1conc1NC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 160689584 SSENMQJPGQZXQE-UHFFFAOYSA-N 330.344 0.696 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@]2(CCOC2)O1 1121094737 KJMLVNZHOVJTFR-TVQRCGJNSA-N 332.353 0.693 70 20 ECID CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 963579981 VUXHKDKECPEPLB-STQMWFEESA-N 343.380 0.898 70 20 ECID CC(=O)NC1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOCC1 1069925461 MGDSSMWUXOYFCN-UHFFFAOYSA-N 347.368 0.088 70 20 ECID O=C(O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)CCO1 1594954459 DVCAXQDLUJBDBO-LLVKDONJSA-N 348.308 0.684 70 20 ECID CCNCC1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 161059596 OBKSPUHZVOZDDZ-UHFFFAOYSA-N 336.436 0.699 70 20 ECID C[C@@H](CO)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 160489318 QAVPOQRRINWBSF-JTQLQIEISA-N 334.825 0.800 70 20 ECID CN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C1 160526856 FZQKCYMOUHNYJH-GFCCVEGCSA-N 341.433 0.806 70 20 ECID O=C(CCNC(=O)Cc1ccccc1)NCC1CCN(CCO)CC1 160598350 HAPYDNPYRKIVDO-UHFFFAOYSA-N 347.459 0.556 70 20 ECID CC(=O)NCCNC(=O)NCCCN1C(=O)c2ccccc2C1=O 217306242 GFEZLRBEJUNYAP-UHFFFAOYSA-N 332.360 0.108 70 20 ECID O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)C1(n2cnnn2)CC1 857673218 WCIIHVFKKNQLFT-UHFFFAOYSA-N 329.288 0.598 70 20 ECID CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)N1CCOCC1 1120944276 IWQZOUZOGIJFRV-SNVBAGLBSA-N 347.368 0.040 70 20 ECID O=C(c1ccc(S(=O)(=O)F)cc1)N1CCO[C@@H]2COCC[C@@H]21 1349896615 SCKXAAGYOQBERW-QWHCGFSZSA-N 329.349 0.975 70 20 ECID Cn1ccnc1CS(=O)(=O)CC(=O)NCc1ccc(F)cc1 161181891 FWYNVKRCCJHUDY-UHFFFAOYSA-N 325.365 0.790 70 20 ECID CCCN(C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 160208307 MSQSPCSNTNLEHF-KGLIPLIRSA-N 331.482 0.937 70 20 ECID CCOC(=O)C1CCN(C(=O)CN(C)C[C@H]2CCC[C@@H]2O)CC1 159466279 RZCHEYKLTTUSMD-CABCVRRESA-N 326.437 0.881 70 20 ECID CNC(=O)CC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1336949160 JZLWWUPKIFSEFO-UHFFFAOYSA-N 331.369 0.661 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)COCC(F)(F)F 160309129 QEONZAOODHDDNB-BDAKNGLRSA-N 332.344 0.399 70 20 ECID C[C@H](O)C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)c1ccccc1 159439570 PRTKPRXWMSELSO-ZFWWWQNUSA-N 345.399 0.218 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@H](CNCC2CC2)C1 1051829628 FCTOWLWAFXATIZ-LLVKDONJSA-N 345.396 0.514 70 20 ECID CCN1CCN(CCCCNC(=O)N2CCC[C@](C)(O)C2)CC1 160359350 UWCOKIABEDERJC-KRWDZBQOSA-N 326.485 0.961 70 20 ECID Cc1cnn(CCC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1 160438385 PWRDKNZLPVCWOV-STQMWFEESA-N 328.438 0.416 70 20 ECID Cc1nc2n(n1)C[C@H](NC(=O)c1csc(S(C)(=O)=O)c1)CC2 160535383 KXOACZOKORSGLJ-SNVBAGLBSA-N 340.430 0.796 70 20 ECID CN(CC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1 160555948 OHYJIRFILFTCOZ-CQSZACIVSA-N 325.434 0.663 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](CO)c1ccccc1)CC2 160711449 YNBCPVQIUJWPMT-KBPBESRZSA-N 345.403 0.772 70 20 ECID CNC(=O)[C@H](NC(=O)Cn1cnc(C(C)C)cc1=O)c1ccccc1 160917935 MSKAVVQJLOZOPD-QGZVFWFLSA-N 342.399 0.970 70 20 ECID CC[C@H](C)NC(=O)CN1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)CC1 159746212 XKYSTCBFWPCIND-NSHDSACASA-N 349.435 0.059 70 20 ECID C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1012333009 PFJMSTFYJMEDKP-VIFPVBQESA-N 342.352 0.117 70 20 ECID C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)Nc1cnc(F)cn1 1098288876 ZVYSDKQSDRBZPN-ZETCQYMHSA-N 345.331 0.832 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 1515459553 QWQXQRNUJCBOIG-ZDUSSCGKSA-N 349.405 0.960 70 20 ECID CCN(CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1cnn(C)c1 161132522 JWFNJXBTTTZVFI-CQSZACIVSA-N 335.452 0.759 70 20 ECID CC(C)n1cc(S(=O)(=O)NCC2CCN(CCO)CC2)cn1 161401110 YBRHCZOZPOAILM-UHFFFAOYSA-N 330.454 0.447 70 20 ECID C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)C(N)=O 160182643 FWIBWFCAADRNNG-LURJTMIESA-N 330.266 0.496 70 20 ECID NC(=O)[C@@H]1CCCCN1C(=O)CCn1cnc2ccccc2c1=O 159639768 HDCCAMSNYCQIKQ-AWEZNQCLSA-N 328.372 0.653 70 20 ECID CO[C@@H](C)CN1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1028808168 CSGJLBNWKMABDA-WDEREUQCSA-N 347.412 0.760 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCCN(CCO)CC1 948781791 ANEGVOHIFNCWCP-LLVKDONJSA-N 347.412 0.592 70 20 ECID C[C@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 953621101 SNRXAMYERROCAM-GZMMTYOYSA-N 343.380 0.612 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H](n2ccnn2)C1 1354884240 CKTUBTXCMQQVMV-SECBINFHSA-N 327.341 0.742 70 20 ECID O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@@H](CN2CCOCC2)C1 161194081 FSOYIDNJJKZCRS-LSDHHAIUSA-N 348.451 0.347 70 20 ECID CN(CCO)C1CCN(C(=O)NCC(C)(C)N2CCOCC2)CC1 161220380 MHEBUNLYFRXQIH-UHFFFAOYSA-N 342.484 0.195 70 20 ECID O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 161387007 BIKHVBBPZQQNFF-HNNXBMFYSA-N 345.447 0.212 70 20 ECID O=C(NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@]1(F)CCNC1 160435541 BATOYAMTMCAHSH-XHDPSFHLSA-N 344.770 0.962 70 20 ECID CC[C@H](NC(=O)CCNC(N)=O)[C@@H]1CN(Cc2ccccc2)CCO1 159648672 BVBMXFIIQTZDPE-HOTGVXAUSA-N 348.447 0.841 70 20 ECID COc1ccc(C(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)nn1 159707623 SQTYXDWBPWJIGZ-JTQLQIEISA-N 332.364 0.696 70 20 ECID O=S(=O)(Cc1ccon1)NC[C@H](O)COc1ccc(F)cc1 159972272 ZJRDUEUZGHJUHO-LBPRGKRZSA-N 330.337 0.673 70 20 ECID O=C(NC1(C(=O)O)CCOCC1)c1cccc(S(=O)(=O)F)c1 1601430991 DNYMVALAMMJDPS-UHFFFAOYSA-N 331.321 0.708 70 20 ECID CCC(CC)(CN)C(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 161298630 KOQACGVVQOJDFM-UHFFFAOYSA-N 334.468 0.956 70 20 ECID O=C([C@H]1C[C@H](O)CN1)N1CCN(c2nc3ccccc3s2)CC1 216919293 IOZWXWQZIHAGPM-WCQYABFASA-N 332.429 0.668 70 20 ECID C[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 990132850 BDSBYXUVZWUXMP-XCBNKYQSSA-N 329.353 0.270 70 20 ECID O=C(O)[C@H]1CC12CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1601773372 CCMQABJUKXOWGO-SECBINFHSA-N 330.337 1.000 70 20 ECID Cn1cnc2cc(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)cnc21 160328301 XOMOERQUWNBBBX-GFCCVEGCSA-N 344.419 0.286 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)NCC[C@@H](O)C(C)C)CC2 160732782 JWEDUHUIRUWOGO-NWDGAFQWSA-N 325.413 0.446 70 20 ECID CNC(=O)[C@H]1CCC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337329232 PQVROPHBKSLGFK-QWHCGFSZSA-N 342.392 0.918 70 20 ECID COC(=O)[C@H](O)CNC(=O)CCOc1cccc(Br)c1 217735314 NKCHKYRVDIXGIB-LLVKDONJSA-N 346.177 0.868 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)C(C)C 161497858 LZFDUIZYQLYOQC-RDJZCZTQSA-N 336.432 0.884 70 20 ECID CC[C@@H](COC)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 160294228 ZYDFRUUOIREWSP-JTQLQIEISA-N 327.406 0.580 70 20 ECID O=C(CCn1c(=O)oc2ccccc21)NCC1CCN(CCO)CC1 160554455 XHGUTFWILHVCGD-UHFFFAOYSA-N 347.415 0.805 70 20 ECID CNS(=O)(=O)c1ccc([C@@H](C)NCCN(C)CCOC)cc1 159419653 BYEKLNREYIRZLG-CYBMUJFWSA-N 329.466 0.824 70 20 ECID C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C[C@@H]1CCC[C@@H]1O 159569594 URYSSUGCJLTJNY-RQJABVFESA-N 332.466 0.113 70 20 ECID Cn1cnn(CCC(=O)Nc2cccc(S(=O)(=O)F)c2)c1=O 297582127 BTSXXGYWOQEESF-UHFFFAOYSA-N 328.325 0.269 70 20 ECID C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CC#N 947725931 GBWNHEWCJZDYES-NXEZZACHSA-N 328.369 0.779 70 20 ECID CNCCOCCNC(=O)c1ccc(S(=O)(=O)F)c(OC)c1 1578710150 WYYIDRAJVOOWDQ-UHFFFAOYSA-N 334.369 0.319 70 20 ECID C[C@H]1C[C@@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1756069727 BUQQWWXSEPSYHY-QXEWZRGKSA-N 345.396 0.906 70 20 ECID COC[C@H](O)CCNC(=O)[C@H](NC(=O)Cc1ccccc1)C(C)C 161498182 LZFDUIZYQLYOQC-NVXWUHKLSA-N 336.432 0.884 70 20 ECID NCCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 160006311 DRBFSVPOHFWEPG-CQSZACIVSA-N 325.434 0.695 70 20 ECID CCC[C@H]1CN(C(=O)NC2CCN(CC(=O)NC)CC2)CCO1 159689033 IRJYKANRLVXMIX-AWEZNQCLSA-N 326.441 0.407 70 20 ECID O=C(N[C@@H]1CCN(c2ncccn2)C1)c1cc(S(=O)(=O)F)c[nH]1 1058546945 RRDVWJYPMIFTMB-SECBINFHSA-N 339.352 0.472 70 20 ECID CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1N(C)C 1346641425 GOVKHQXPSYTDPW-QWRGUYRKSA-N 335.426 0.791 70 20 ECID CCn1cc(S(=O)(=O)N(C)CC2CCN(C[C@H](C)O)CC2)cn1 161464154 XQYZXABGDHTEEG-ZDUSSCGKSA-N 344.481 0.616 70 20 ECID C[S@](=O)c1cccc(NC(=O)NCCNC(=O)c2ccn[nH]2)c1 160236536 KXSGFVFWYDRWGC-HSZRJFAPSA-N 335.389 0.699 70 20 ECID CCN(C)CCNC(=O)C(=O)Nc1ccc(Br)nc1 160405710 KUVJKQXUQLKTKN-UHFFFAOYSA-N 329.198 0.851 70 20 ECID CN[C@@H]1CCN(C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)C1 160564612 QLHVWXPIPWYYFY-SECBINFHSA-N 336.783 0.758 70 20 ECID CC(C)[C@H](CCO)NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 160566331 ZLMNEVBOYLPUBU-OCCSQVGLSA-N 332.404 0.848 70 20 ECID C[C@@H]1CN(CCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C)O1 1123468292 LRIKNQWOGNXYIV-GHMZBOCLSA-N 347.412 0.902 70 20 ECID O=C(NCC(F)(F)F)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123828873 JUNBBCKCDGUPQQ-UHFFFAOYSA-N 332.235 0.179 70 20 ECID CC(C)CN1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 961789207 MKHGMYDOJGSZBT-GHMZBOCLSA-N 329.397 0.989 70 20 ECID Cc1ncc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)s1 1133977045 XQNKHHFURZJDPO-UHFFFAOYSA-N 346.409 0.957 70 20 ECID C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1077750874 CVPPENYBNFCBOQ-WCABBAIRSA-N 345.396 0.954 70 20 ECID CC(C)(C)n1ncnc1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1337360835 KKSCJARFAFBUEF-UHFFFAOYSA-N 329.357 0.949 70 20 ECID Cn1c(=O)ccn(CC(=O)O[C@@H](c2ccccn2)C(F)(F)F)c1=O 160492502 SWQCXWILHWPFGB-LBPRGKRZSA-N 343.261 0.789 70 20 ECID Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H](CO)CC(C)C 160696334 OKNLVWIRBUCVJK-LBPRGKRZSA-N 334.424 0.779 70 20 ECID CCOC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)C1 217288436 IEBNCFNRPJLIBQ-STQMWFEESA-N 325.409 0.980 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(CCCO)C1 970437885 UHCKZYKKEIUGNQ-VIFPVBQESA-N 333.385 0.105 70 20 ECID CCN(CCCNC(=O)/C=C/c1cnn(C)c1C)S(C)(=O)=O 160589197 USZNSOREIUVDRM-BQYQJAHWSA-N 328.438 0.530 70 20 ECID C[C@]1(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CCNC1 160977278 GLVBBOHDKSPQSB-KDOFPFPSSA-N 331.416 0.782 70 20 ECID C[C@H](CNC(=O)N(C)CC1CCOCC1)CN1CCN(C)CC1 159746791 LJWUBYRPXSXFBY-OAHLLOKOSA-N 326.485 0.938 70 20 ECID O=C(NC1CN(C(=O)c2cc[nH]c2)C1)c1cc(S(=O)(=O)F)c[nH]1 999954557 JIDYZTQAVBUNOD-UHFFFAOYSA-N 340.336 0.255 70 20 ECID CC(C)=C(F)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999951795 JKQWFHDVOOPSBZ-UHFFFAOYSA-N 347.343 0.877 70 20 ECID CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C1 161264425 HSEJJIBTFMKDPM-CYBMUJFWSA-N 335.389 0.031 70 20 ECID CC(=O)N(C)CC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 160051750 PMBIMQGOZOQACD-UHFFFAOYSA-N 329.404 0.685 70 20 ECID CC(=O)N1CC[C@@H](NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 159472551 RJOCZXPZZYLAHK-OAHLLOKOSA-N 340.383 0.642 70 20 ECID C=C(C)CN1CCOC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051117358 ZXIDCWIEMGIYQM-LLVKDONJSA-N 345.396 0.680 70 20 ECID COCCN1C[C@H]2CC[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 971827564 WKEQSIVFMJIUHM-WDEREUQCSA-N 345.396 0.608 70 20 ECID CC(C)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090576110 JODVEPANCCITLK-AAEUAGOBSA-N 347.412 0.494 70 20 ECID CCNC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1350747347 JCPFPLSODRESIV-UHFFFAOYSA-N 332.357 0.160 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(c2nnc(O)o2)CC1 1521437504 GNTBCHBPYYVGQK-UHFFFAOYSA-N 344.324 0.781 70 20 ECID Cc1ccc(-c2nnc(NC(=O)c3cn(CC(=O)N(C)C)nn3)[nH]2)o1 160215500 LMJOXJGXQJVYGZ-UHFFFAOYSA-N 344.335 0.305 70 20 ECID Cc1nc2n(n1)C[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)CC2 160535513 KXOACZOKORSGLJ-JTQLQIEISA-N 340.430 0.796 70 20 ECID O=C(NC1CN(CC[C@H]2CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030972072 KKJIKNWKPLZBCH-JTQLQIEISA-N 345.396 0.514 70 20 ECID CC(=O)N1CCC2(CC1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 944808604 GIDTWILXZZFLOA-UHFFFAOYSA-N 343.380 0.757 70 20 ECID C[C@H](O)CN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1080458000 AKVCMEMKRNMOKJ-VDDIYKPWSA-N 333.385 0.104 70 20 ECID COC(=O)[C@H]1CSCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1339113257 LDWDMVBLAFYSPP-SECBINFHSA-N 336.366 0.404 70 20 ECID COC[C@@H](O)CCNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 161246669 DOTMAXJRUOZFDE-IRXDYDNUSA-N 336.432 0.791 70 20 ECID NC(=O)[C@H]1CC[C@@H](CN[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)O1 160780401 LZRDMESDEASCMW-RRFJBIMHSA-N 335.379 0.768 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(Cc2ccon2)CC1 950559015 LAZKJEUCCFMKAC-UHFFFAOYSA-N 342.352 0.619 70 20 ECID COCCCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1494286935 TVBJTRSIYLPGOU-LLVKDONJSA-N 347.412 0.904 70 20 ECID Cc1nc(Cl)ccc1C(=O)NCCN1CCS(=O)(=O)CC1 161119665 MZCVGZTYEKQLDF-UHFFFAOYSA-N 331.825 0.504 70 20 ECID Cn1c(=O)[nH]c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)cc21 160252455 LQVMIGNYZPYIIA-UHFFFAOYSA-N 344.415 0.803 70 20 ECID CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C12CCC2 1025846912 TXBOBDJDVMEJDN-RYUDHWBXSA-N 343.380 0.850 70 20 ECID CCC(=O)N1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 936296825 OVAJNTGPZSPFNU-SECBINFHSA-N 331.369 0.756 70 20 ECID CO[C@@H](C)C(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952162900 KGBZGTRNEWPNPL-DTWKUNHWSA-N 347.368 0.039 70 20 ECID NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1338944276 QFFLCXYUSJRVRG-KYZUINATSA-N 331.369 0.694 70 20 ECID O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1338390756 SNBZPQJMHPGQAU-ZANVPECISA-N 332.353 0.741 70 20 ECID CCO[C@H](CCN(C)C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348036747 ZLPBZIKESSTMIO-SNVBAGLBSA-N 335.401 0.760 70 20 ECID C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCCn1cccn1)C2=O 161040647 DADKWTAGMUOHAF-CHWSQXEVSA-N 347.419 0.746 70 20 ECID CCN(C(=O)[C@@H](C)N(C)Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 161062667 RRQOFCKEALFMJA-TZMCWYRMSA-N 342.465 0.276 70 20 ECID Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c(=O)[nH]1 160480445 YYPGAQDQOAGBAX-CMPLNLGQSA-N 327.406 0.131 70 20 ECID O=C(CN1CCS(=O)(=O)CC1)NCCNC1CCCCCC1 159651915 POEAQRRVFOETOI-UHFFFAOYSA-N 331.482 0.145 70 20 ECID O=C(NC[C@@H]1COCCN1CCF)c1cc(S(=O)(=O)F)c[nH]1 1051116962 PMBSBOLULVVKKT-SECBINFHSA-N 337.348 0.073 70 20 ECID Cc1nc([C@@H](C)NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)no1 1133975972 FPOZZFRTSMOFQD-SSDOTTSWSA-N 345.356 0.445 70 20 ECID CC(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 967828436 NTVJTCLPBUECBJ-UWVGGRQHSA-N 329.353 0.508 70 20 ECID C#CCN[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 981339336 FOSIOVCFBLBBLS-WDEREUQCSA-N 327.381 0.937 70 20 ECID O=C(NC[C@H]1CC[C@@H](NCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1086805952 SGANXYSAWBDFGA-VHSXEESVSA-N 333.385 0.153 70 20 ECID O=C(NCCCCN1CCC[C@H]1CO)c1cc(S(=O)(=O)F)c[nH]1 1351579893 YCSGKFMXSNFQGF-NSHDSACASA-N 347.412 0.640 70 20 ECID O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1527577495 OQQWJYLKSYYZKD-SECBINFHSA-N 343.380 0.804 70 20 ECID CC(C)N(CCN(C)C)C(=O)c1coc(S(=O)(=O)N(C)C)c1 161185568 GFCXRSZNWZMDDK-UHFFFAOYSA-N 331.438 0.942 70 20 ECID CN1C[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)CCC1=O 160335399 ISUDZFSIWYWWLG-HNNXBMFYSA-N 331.420 0.530 70 20 ECID CN(C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 217285904 OPTNDTCJOSQGDF-WDEREUQCSA-N 331.438 0.214 70 20 ECID O=C(NC[C@@H]1CCCN1CCCO)c1cc(S(=O)(=O)F)c[nH]1 1028141135 GOEWZRQZJGHDAP-JTQLQIEISA-N 333.385 0.250 70 20 ECID O=C(NC1CN(C[C@@H]2CCCOC2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030966296 PIAWWQPYUXSWMA-JTQLQIEISA-N 345.396 0.514 70 20 ECID C[C@H](O)CN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1084668816 LACNXRIBAYXSCF-OPQQBVKSSA-N 345.396 0.200 70 20 ECID CC[C@@H](NC(=O)CCc1ccc(S(=O)(=O)F)cc1)C(=O)NC 1337461216 XLLOZNJLRHBNBR-GFCCVEGCSA-N 330.381 0.918 70 20 ECID CC(C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)N1CCCC1 1347290450 GFRICFPHSSTKIN-UHFFFAOYSA-N 331.369 0.804 70 20 ECID O=C(N[C@@H]1CCc2ncnn2C1)N1CCC[C@H](CN2CCOCC2)C1 161193833 FSOYIDNJJKZCRS-HUUCEWRRSA-N 348.451 0.347 70 20 ECID O=c1[nH]c(NCCNS(=O)(=O)c2cccnc2)nc2ccccc12 161199706 LWJJLUOVJNUABO-UHFFFAOYSA-N 345.384 0.709 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCc1ccccn1 160357050 QSPHRJIPRVDHHI-GXTWGEPZSA-N 325.434 0.848 70 20 ECID Cc1c(C(=O)NC(C2CC2)C2CC2)cnc2c1c(=O)n(C)c(=O)n2C 160432755 SLYRCJSNDCEXBC-UHFFFAOYSA-N 342.399 0.859 70 20 ECID CCS(=O)(=O)NCC(=O)N1CCCN(CC(F)(F)F)CC1 160651712 UXVOMOIVEXBMQH-UHFFFAOYSA-N 331.360 0.022 70 20 ECID CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](CCO)C(C)C)ccc2c1=O 160787657 WWAZJUNHPWGSHF-ZDUSSCGKSA-N 333.388 0.847 70 20 ECID COC[C@H](O)CCNC(=O)CNC(=O)c1ccccc1C(F)(F)F 160872732 LEVNVAVZRZCDCT-SNVBAGLBSA-N 348.321 0.949 70 20 ECID O=C(CNC(=O)NCc1ccco1)N[C@H]1c2ccccc2C[C@@H]1O 159815208 RNMGNTWZPMTGOR-HOCLYGCPSA-N 329.356 0.853 70 20 ECID C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1C[C@@H]2CCC[C@H](C1)N2 159824678 VNEYKCZLEPBXGE-MELADBBJSA-N 337.445 0.706 70 20 ECID Cc1ccc(-c2nnn(CC(=O)N3C[C@@H](CO)OC[C@H]3C)n2)cc1 159891847 DUWNSBPRYKUJGD-OCCSQVGLSA-N 331.376 0.257 70 20 ECID CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@H]1CCC[C@@H]1O 159726110 HLHPAHLLQAWNLL-DOMZBBRYSA-N 328.434 0.806 70 20 ECID CN(C)c1ccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c(F)c1 159396336 VTGIOOMMLKGUGH-BTDLBPIBSA-N 348.378 1.000 70 20 ECID COC(=O)c1[nH]c(C)c(C(=O)NC[C@@H](O)CN2CCCCC2)c1C 159983574 BYEZMDNDRRCDHM-CYBMUJFWSA-N 337.420 0.995 70 20 ECID C[C@@H]1CN(CCO)CC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 942859665 ONNWGYVZZGHKFT-MWLCHTKSSA-N 333.385 0.105 70 20 ECID CC(=O)NCC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 949497156 FXRUYOIRGPWWGT-UHFFFAOYSA-N 331.369 0.661 70 20 ECID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H](C)N1CCOCC1 1520866713 YRMPPXPSZJUMOJ-UWVGGRQHSA-N 333.385 0.512 70 20 ECID COC[C@@H](O)CCNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 161074842 HSMAGCXQRQUVOT-LBPRGKRZSA-N 348.321 0.949 70 20 ECID CCCn1c(C)nnc1CN1CCN(C(=O)[C@H]2CCCN2C)CC1 161400304 JQOLUKNAIRKCOJ-OAHLLOKOSA-N 334.468 0.735 70 20 ECID COCCCS(=O)(=O)N1CCN(CCN2CCC(C)CC2)CC1 160131045 MIXJMZVWQQJXIZ-UHFFFAOYSA-N 347.525 0.702 70 20 ECID C[C@@H](NC(=O)NC[C@@H](C)N1CCOCC1)c1nnc2n1CCCC2 159893274 BRHGCKBXCXBQCJ-CHWSQXEVSA-N 336.440 0.695 70 20 ECID COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-n2cncn2)c(C)c1 159790587 RNYFHZIXJLVBRP-OAHLLOKOSA-N 343.387 0.439 70 20 ECID CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccnc(-n3cccn3)c2)C1 159795369 XUXNEOAQJACKNA-CYBMUJFWSA-N 349.416 0.421 70 20 ECID O=C(OCC(=O)N1CCOCC1)c1ccc(S(=O)(=O)F)cc1 838088505 YJMZSKXOQBLFLY-UHFFFAOYSA-N 331.321 0.360 70 20 ECID CSCC(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004490957 ZIOIJVNGIVTXFX-UHFFFAOYSA-N 349.409 0.224 70 20 ECID C[C@@H](O)CN[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1034737312 VVDIRSDMNGRRPH-GMTAPVOTSA-N 347.412 0.684 70 20 ECID COCCN1CCC(C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1045558772 SCNITBWHPKYSCV-UHFFFAOYSA-N 347.412 0.904 70 20 ECID C[C@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1CCCO 993819170 GBNJUPCLIJEPJZ-JQWIXIFHSA-N 347.412 0.638 70 20 ECID Cc1nnc(SC(F)(F)COS(=O)(=O)C(F)(F)F)n1N 1350089504 NVHPQOKHOBGXOR-UHFFFAOYSA-N 342.271 0.851 70 20 ECID CCN1CCN(CCCNC(=O)CCNC(=O)CC(C)C)CC1 160441861 QHRQZBQRLVNXCQ-UHFFFAOYSA-N 326.485 0.683 70 20 ECID CC(C)(C)S(=O)(=O)CC(=O)N1CCC(CN2CCOCC2)CC1 160732047 YBSJJWNCNXCFDX-UHFFFAOYSA-N 346.493 0.771 70 20 ECID COc1ccnc(N2CCN(C(=O)c3cccc(=O)n3C)CC2)n1 160744117 UPWRVVIQCHATEN-UHFFFAOYSA-N 329.360 0.146 70 20 ECID CN(C)C(=O)c1ccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)[nH]1 160977770 JAMCQEMPNLCDDG-HNNXBMFYSA-N 334.420 0.540 70 20 ECID O=C(NC[C@H]1CCN1Cc1cnon1)c1cc(S(=O)(=O)F)c[nH]1 1038710693 PDKNGPPGOGHSND-SECBINFHSA-N 343.340 0.060 70 20 ECID CCS(=O)(=O)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1 864239272 FUNPVWXMPPZJAO-VIFPVBQESA-N 337.394 0.898 70 20 ECID CCC(=O)N1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 959303815 YYQBRGRYKISTHW-UWVGGRQHSA-N 345.396 0.907 70 20 ECID CC(C)N1C[C@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958412642 HHGHVPGOTVTMDB-SKDRFNHKSA-N 333.385 0.104 70 20 ECID CCC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 990015234 FYKIJVPWJQAXSU-SCZZXKLOSA-N 331.369 0.802 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(N2CCOC2=O)CC1 1521742979 BMDGWIPNCKKUNF-UHFFFAOYSA-N 345.352 0.730 70 20 ECID C[C@H]1CCC[C@H](C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 160492796 UVCPBVQHQQVNEF-RWMBFGLXSA-N 330.450 0.574 70 20 ECID CC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1C 160576915 FCHGSYPSMYMRHL-GFCCVEGCSA-N 341.433 0.988 70 20 ECID O=C1C[C@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)CCN1 159682473 KCMXSERESIJNKD-MRXNPFEDSA-N 331.416 0.661 70 20 ECID Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2cn(C)c(C)n2)c1 159934349 ZOZXWSXJJAQCFG-ZDUSSCGKSA-N 339.417 0.755 70 20 ECID O=C1CN(C(=O)CNc2cc(F)ccc2Br)CCN1 159591267 YJCZRVSMNMNWGZ-UHFFFAOYSA-N 330.157 0.959 70 20 ECID CC(=O)N1CC[C@]2(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CCC[C@@H]12 1014456778 IHFHGKOQITUWFD-TZMCWYRMSA-N 343.380 0.946 70 20 ECID CC#CCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1106675531 BIDFZZLTRTVDDB-VXGBXAGGSA-N 341.408 0.994 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCN(CC#N)C1 1033954828 VVMJARZEMPUGEA-SNVBAGLBSA-N 328.369 0.733 70 20 ECID CC1(C)CN(CCCO)C[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 975050994 RYTSEVMFCFRBGE-LBPRGKRZSA-N 347.412 0.496 70 20 ECID CCCN1CCN(C(=O)Cc2cccc(OCC(=O)NC)c2)CC1 161166759 BVJSDUZTMYAPGE-UHFFFAOYSA-N 333.432 0.908 70 20 ECID CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@H]3CNC)cnc21 161249159 UFJHQBKVZUALAA-LBPRGKRZSA-N 345.403 0.319 70 20 ECID O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCOC[C@@H]1C1CC1 161259931 CCXZAQQDJPKNIA-OAHLLOKOSA-N 343.383 0.717 70 20 ECID CCN(C[C@@H]1CCN(C(=O)NCC(=O)N(C)C)C1)CC(F)(F)F 161324201 QLHJJJNCDOPBLF-NSHDSACASA-N 338.374 0.990 70 20 ECID CS(=O)(=O)C1(CNC(=O)c2ccc(S(=O)(=O)F)cc2)CC1 864241816 MCISGIZFMHZARC-UHFFFAOYSA-N 335.378 0.652 70 20 ECID CO[C@H](C)CN1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1038703958 BGLMWROYAQRUES-NXEZZACHSA-N 333.385 0.512 70 20 ECID CCOCCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1121032379 OZQHKMRAGWIMOL-JTQLQIEISA-N 334.369 0.941 70 20 ECID C[C@@H](NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1cnccn1 1133976718 RPAMQPXBELYGOI-SECBINFHSA-N 341.368 0.544 70 20 ECID O=C(N[C@H](CC1CCOCC1)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601410666 AXWBCEDHPIDUJO-LLVKDONJSA-N 348.352 0.673 70 20 ECID COC[C@H](O)CCNC(=O)c1ccc(=O)n(-c2ccccc2F)n1 161310200 GNBNWRMCQXOGAG-LLVKDONJSA-N 335.335 0.499 70 20 ECID O=C(N[C@H]1C[C@@H](NC(=O)C2CCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 973786267 NINJIFRUNWSBRB-AOOOYVTPSA-N 343.380 0.850 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)NCCNC(=O)C1CC1 1338415785 MXNDUKLEQWSXKC-UHFFFAOYSA-N 328.365 0.530 70 20 ECID COC(=O)[C@@H](O)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1263760835 MRNPZKFWBDGEKM-NSHDSACASA-N 348.352 0.059 70 20 ECID C[C@@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)N1CCNCC1=O 1575083266 UNTXAPLVCNNQEA-VIFPVBQESA-N 329.353 0.104 70 20 ECID O=C(Cn1cnnn1)NCc1ccc(COC2CCOCC2)cc1 161334828 BMPKCIQOWGZEOD-UHFFFAOYSA-N 331.376 0.685 70 20 ECID CC(C)Cn1cnc(S(=O)(=O)NCC2CCN(CCO)CC2)c1 161392897 GRPVZXISGIAOES-UHFFFAOYSA-N 344.481 0.522 70 20 ECID CCS(=O)(=O)N(C)CCCNC(=O)NCc1cnn(C)c1C 160359177 RSXHEIPWGQAVOX-UHFFFAOYSA-N 331.442 0.199 70 20 ECID O=C(CCNC(=O)c1ccsc1)NCC1CCN(CCO)CC1 160554325 LOFKTWMNQOWHLD-UHFFFAOYSA-N 339.461 0.689 70 20 ECID CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(CCOC)C1 951760493 HLWCKFUZCMRNRR-UHFFFAOYSA-N 333.385 0.466 70 20 ECID C[C@@H](CN1CCOCC1)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1349532248 JJQGQCBXXMZONN-JTQLQIEISA-N 333.385 0.466 70 20 ECID C[C@H](CNC(=O)Cc1ccc(S(=O)(=O)F)cc1)S(C)(=O)=O 1354899820 XDUSRCIDTZNDHN-SECBINFHSA-N 337.394 0.437 70 20 ECID C[C@@H]1[C@@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C(=O)N1C 1518263879 VFENGNNZBMVZRU-IWSPIJDZSA-N 331.369 0.753 70 20 ECID Cn1nccc1[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C(=O)O 1605567363 DFEZOROSWZPELH-NSHDSACASA-N 341.320 0.634 70 20 ECID COC[C@H](O)CCNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 161127616 SHXNIYXFLYPMNY-GFCCVEGCSA-N 349.362 0.807 70 20 ECID CN1CCN(c2ccc(CNC(=O)N3CCC[C@@](C)(O)C3)cn2)CC1 160096181 OSKGXZSONGGRHW-GOSISDBHSA-N 347.463 0.890 70 20 ECID Cc1conc1NC(=O)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 160712055 FHLHLNQFMNOTQK-NSHDSACASA-N 330.344 0.743 70 20 ECID NC(=O)[C@H]1CC[C@@H](CN[C@H](C(=O)NC2CC2)c2ccc(F)cc2)O1 160780277 LZRDMESDEASCMW-ZNMIVQPWSA-N 335.379 0.768 70 20 ECID O=C(NCCNS(=O)(=O)c1cccs1)NCc1ccncc1 160890103 ZOCYLIRJTXBZEX-UHFFFAOYSA-N 340.430 0.921 70 20 ECID CC(=O)c1csc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 159488584 NTKOKZAPTPVRQO-JTQLQIEISA-N 330.431 0.962 70 20 ECID CC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 945078815 GGYQBDQWVJOALA-KWQFWETISA-N 331.369 0.660 70 20 ECID C[C@H](O)CN1CC([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970423313 JDPXOKMMYGAIJL-IUCAKERBSA-N 333.385 0.104 70 20 ECID O=C(NC[C@H]1CCN1C1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1518521635 KXTICXFUGOMWJO-LLVKDONJSA-N 345.396 0.656 70 20 ECID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](C)N1CCOCC1 1520866712 YRMPPXPSZJUMOJ-NXEZZACHSA-N 333.385 0.512 70 20 ECID C[C@H](C(=O)NC(=O)NC1CC1)N1CCC([C@H](O)C(F)(F)F)CC1 161226979 MMNPGZOFWGQJDN-KCJUWKMLSA-N 337.342 0.998 70 20 ECID NC(=O)[C@@H]1CC[C@H](CNC(=O)c2c[nH]nc2-c2ccccc2F)O1 161400264 YFMDHAJRLJBVLD-RNCFNFMXSA-N 332.335 0.979 70 20 ECID CNS(=O)(=O)[C@H]1CCN(C(=O)NCCc2ccc(C)cc2)C1 160004486 AFNFEXZTKMXYIL-AWEZNQCLSA-N 325.434 0.871 70 20 ECID COC[C@H](O)CCNC(=O)C(=O)Nc1ccccc1Br 159503735 VXWCZJQTVSLBAD-SECBINFHSA-N 345.193 0.901 70 20 ECID Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCC[C@H]2OCC[C@H]12 159921328 YFESQHMPBHZZBT-ADEWGFFLSA-N 328.390 0.923 70 20 ECID N#CCN1[C@H]2CC[C@H]1CC(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1021382275 UNCMQVFUEFCSRA-QWRGUYRKSA-N 340.380 0.922 70 20 ECID C[C@H](O)CN1CCC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1006004290 NUCPQEQCFHOHDS-JTQLQIEISA-N 347.412 0.590 70 20 ECID C[C@@H](O)CN(C)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1027583623 XYCQYBPENYPSKL-GHMZBOCLSA-N 347.412 0.590 70 20 ECID COCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 968336037 QWTMVAJUWXUGDB-GWCFXTLKSA-N 347.412 0.760 70 20 ECID NC(=O)C1(NC(=O)c2cccc(S(=O)(=O)F)c2)CCOCC1 1338068263 MDPHABMINKDQDR-UHFFFAOYSA-N 330.337 0.109 70 20 ECID CSCC[C@@H](N)C(=O)NCCNC(=O)c1c(F)cccc1F 160020361 OQJYUOSVFQXYNW-LLVKDONJSA-N 331.388 0.891 70 20 ECID Cc1cc(NC(=O)CCn2nnc3ccccc3c2=O)c[nH]c1=O 159422676 HOUUFHUQFFTTLF-UHFFFAOYSA-N 325.328 0.817 70 20 ECID CC(C)(C(N)=O)c1ccc(NC(=O)NCCN2CCOCC2)cc1 159870962 SBAGJTFAPFTLIX-UHFFFAOYSA-N 334.420 0.903 70 20 ECID N#CCN1C[C@H]2[C@H](CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978716871 HKVQFCXBYFKCTI-RTCCRHLQSA-N 326.353 0.104 70 20 ECID Cc1nsc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1094126786 VYCVMTUUDJWITJ-UHFFFAOYSA-N 333.370 0.675 70 20 ECID CNC(=O)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337329229 PQVROPHBKSLGFK-CHWSQXEVSA-N 342.392 0.918 70 20 ECID CCOCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1755949902 QGYZIUVEVPEDAH-DTWKUNHWSA-N 349.384 0.332 70 20 ECID COC[C@H](O)CCNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 161246553 DOTMAXJRUOZFDE-SJORKVTESA-N 336.432 0.791 70 20 ECID COCc1nc2n(n1)C[C@@H](Nc1nnc(Cl)cc1C(N)=O)CC2 161370797 TWEVXWSJEIBYND-ZETCQYMHSA-N 337.771 0.394 70 20 ECID Cc1nc2n(n1)C[C@H](NC(=O)NCc1cccc(N(C)C)n1)CC2 160586731 WUVVDTZXJRCNSX-CYBMUJFWSA-N 329.408 0.862 70 20 ECID CC(C)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)n(C)n1 160732125 PSWVBNVEECSGGQ-RYUDHWBXSA-N 342.465 0.991 70 20 ECID Cn1cc(C#N)c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n1 460096798 RSABLMURYPMMDU-UHFFFAOYSA-N 344.349 0.751 70 20 ECID C=C(C)CN1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961785454 DPTXVOZLGZUQRX-PJXYFTJBSA-N 327.381 0.909 70 20 ECID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1NC(=O)C1CC1 966841748 MWPBTGUSFGKVCR-UFBFGSQYSA-N 343.380 0.660 70 20 ECID CCOCCCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185731357 SRBAMVKJQKRHJN-LLVKDONJSA-N 347.412 0.904 70 20 ECID CO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C(=O)O)C1 1599122113 ZIJZJLIAEIOTNK-XVKPBYJWSA-N 334.325 0.377 70 20 ECID CC(C)OC(=O)CCCNC(=O)N1CCN(c2cnn(C)c2)CC1 160100920 RFWBFTOUGAIHCK-UHFFFAOYSA-N 337.424 0.984 70 20 ECID Cc1ccc(CNC(=O)NCC(=O)N2C[C@H]3[C@@H](C2)OCCN3C)cc1 159683549 ASODRHDDTCQZKT-JKSUJKDBSA-N 346.431 0.336 70 20 ECID CN(C)C[C@@](C)(O)CNS(=O)(=O)c1cnc(Cl)c(Cl)c1 161490319 LPXFJIQXXFPLCQ-NSHDSACASA-N 342.248 0.979 70 20 ECID CCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 959303818 YYQBRGRYKISTHW-VHSXEESVSA-N 345.396 0.907 70 20 ECID Cc1cc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)on1 1133977244 ZRNHNXJQCNZOOJ-UHFFFAOYSA-N 330.341 0.489 70 20 ECID COC[C@H](O)CNS(=O)(=O)N(C)Cc1c(F)cccc1Cl 160911691 LFZXKBVQOKDMJG-SECBINFHSA-N 340.804 0.753 70 20 ECID CC#CCNC1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1100684342 DBVHSBYADJVVPE-UHFFFAOYSA-N 327.381 0.794 70 20 ECID O=C(NCC1(N2CCOCC2)CC1)c1ccc(S(=O)(=O)F)cc1 864241192 MXFBLDOZIKMLDC-UHFFFAOYSA-N 342.392 0.939 70 20 ECID CC1(C)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1NCC#N 996307535 FFYFWSRUTNZXLL-LLVKDONJSA-N 328.369 0.637 70 20 ECID CCCN(C)S(=O)(=O)NC[C@H](O)COc1ccc(F)c(F)c1 161279354 CKHKWMFEGSAYGK-JTQLQIEISA-N 338.376 0.881 70 20 ECID Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(O)C3)CC2)cc1 161456126 VKTLEULJNZCLAO-UHFFFAOYSA-N 338.429 0.599 70 20 ECID Cn1cc(N2CCC[C@@H](N3CCC[C@H](CCC(N)=O)C3)C2=O)cn1 160334809 SMMFYIIGDVBGCE-UKRRQHHQSA-N 333.436 0.893 70 20 ECID CC[C@H](C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)N(C)C 160926526 WSUBTUGOUBKNKE-CYBMUJFWSA-N 336.440 0.959 70 20 ECID C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)OCc1ccccc1 159644271 VKNKNQBTGKLDJK-JSGCOSHPSA-N 326.418 0.742 70 20 ECID C[C@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)c1ncn(C)n1 1354911540 MVQMMULMIGLNCW-VIFPVBQESA-N 326.353 0.893 70 20 ECID O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc(S(=O)(=O)F)c1 1516702009 RSVRLHMQCABDNF-UHFFFAOYSA-N 342.308 0.880 70 20 ECID Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n[nH]1 161230615 VPHSVHRQNJEWJE-PWSUYJOCSA-N 328.438 0.437 70 20 ECID Cc1ccc(S(N)(=O)=O)c(C(=O)N(C)C[C@@H]2CCC[C@@H]2O)c1 161335250 JJDYXLNZRMUSAM-AAEUAGOBSA-N 326.418 0.875 70 20 ECID COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCN(c2ccncc2)CC1 161369591 GNVDISFQTNJNQZ-MRXNPFEDSA-N 348.447 0.908 70 20 ECID C[C@@H](CN1CCOCC1)NC(=O)Nc1ccnn1C[C@@H]1CCOC1 159380079 YUALAGKRCJAHCL-KBPBESRZSA-N 337.424 0.762 70 20 ECID COC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1032634873 WTZPSTSRPUZRDI-DCAQKATOSA-N 345.396 0.607 70 20 ECID O=C(N[C@H]1CCCCN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1034403249 DGLAYDXXXBFFGI-JTQLQIEISA-N 333.385 0.250 70 20 ECID CC(=O)NC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 964585903 JSFKMXGVMKCGNY-SNVBAGLBSA-N 331.369 0.804 70 20 ECID CC#CCN1C[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 1076256211 OYZMVEUVISHUIP-SMDDNHRTSA-N 339.392 0.843 70 20 ECID CNC(=O)[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337329233 PQVROPHBKSLGFK-STQMWFEESA-N 342.392 0.918 70 20 ECID C[S@@](=O)c1ccc(NC(=O)NCCNC(=O)c2ccn[nH]2)cc1 161134856 MGQHPTGRWCPUOJ-QHCPKHFHSA-N 335.389 0.699 70 20 ECID CS(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2cccc2)cc1 160141449 UWIRCOOJPKNNBB-UHFFFAOYSA-N 335.385 0.647 70 20 ECID CCN1CCC[C@H]1CN1C[C@H](C(=O)NCC(N)(CC)CC)CC1=O 160432911 NUAIFALZEIPJJR-CABCVRRESA-N 338.496 0.953 70 20 ECID N[C@H]1CCC[C@H](NC(=O)c2nc3ncc(Br)cn3n2)C1 160857193 MDBPTWMILLENTG-IUCAKERBSA-N 339.197 0.887 70 20 ECID CCn1[nH]c(C)nc1=NS(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460088155 BOXYNLSVQKXWBH-UHFFFAOYSA-N 348.381 0.487 70 20 ECID CCN(C(=O)C1CC1)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 967720870 JKBVVSFGPLWFSK-UHFFFAOYSA-N 343.380 0.756 70 20 ECID COCCNCC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1206308042 WRFXICJQZWBMTC-UHFFFAOYSA-N 347.412 0.761 70 20 ECID C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1077689996 QGHVSWFDNMMQOK-VXGBXAGGSA-N 331.369 0.024 70 20 ECID C=C(C)CCN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1083786196 OIBVPDLMRMFTJG-OLZOCXBDSA-N 345.396 0.414 70 20 ECID O=C(CN1CCS(=O)(=O)CC1)N[C@H]1CCCc2sccc21 160082831 LAJOSCZIDONOFX-LBPRGKRZSA-N 328.459 0.972 70 20 ECID CCN1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 160659261 RAABQCXWTVHREV-UHFFFAOYSA-N 349.815 0.904 70 20 ECID CCS(=O)(=O)NCC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 159770746 WYDLJWQXPHRGLO-LBPRGKRZSA-N 343.424 0.708 70 20 ECID C#CCN1CCC(C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1045558229 GYJMLJBYWJFKME-UHFFFAOYSA-N 327.381 0.890 70 20 ECID CCO[C@@H]1C[C@@](CO)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1(C)C 1123649508 SJXNMBFBACINPW-RISCZKNCSA-N 348.396 0.969 70 20 ECID C[C@@H](CNS(=O)(=O)c1c[nH]c2ncccc12)CN1CCOCC1 160369577 DHLDVSUFONOHOP-LBPRGKRZSA-N 338.433 0.810 70 20 ECID COC(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)OC 160505822 XXPMTOXJVTZMQB-UHFFFAOYSA-N 338.433 0.493 70 20 ECID COC(=O)c1cc(CN(C)C[C@@H](O)CN2CCOCC2)oc1C 159409800 PQXPUVDKOMEKPJ-CYBMUJFWSA-N 326.393 0.500 70 20 ECID CC(=O)N1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1020638839 CUHZXFUQFAMUBV-KOLCDFICSA-N 345.396 0.907 70 20 ECID CC(=O)N1CC[C@]2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)C1 953026316 JSWYSTNZIIITCZ-AWEZNQCLSA-N 343.380 0.757 70 20 ECID O=C(NC1CN(C(=O)CC2CCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 999952829 PDGCLGDNEOVWFO-UHFFFAOYSA-N 343.380 0.804 70 20 ECID O=C(NCCNc1ncc(Cl)cn1)c1cc(S(=O)(=O)F)c[nH]1 1094126869 XXUVDFBNDJVBDJ-UHFFFAOYSA-N 347.759 0.958 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H](N2CCCC2=O)C1 1346340331 FZNBNHKNAGQXCM-JTQLQIEISA-N 343.380 0.900 70 20 ECID COCC#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1752062599 CFSMKKCYCAJHJY-UHFFFAOYSA-N 345.396 0.374 70 20 ECID CCN1CCN(C(=O)[C@H](C)N2CCN(c3ccncc3)CC2)CC1 161319162 MHVWJEXFGCDKGP-INIZCTEOSA-N 331.464 0.756 70 20 ECID CCOCCN(CC)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 160638425 SWBHDZQVAPZQMF-GFCCVEGCSA-N 325.413 0.807 70 20 ECID Cc1ccc(S(=O)(=O)NCCNC(=O)[C@H]2CCCCO2)cc1 160738126 KOJRFBZHPUTQGW-CQSZACIVSA-N 326.418 0.959 70 20 ECID C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938456823 ZWZBAJLQTMXIBS-QXEWZRGKSA-N 343.380 0.660 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]2[C@@H](CCN2CCO)C1 1036824043 QJXJJZOCWTXCEO-GWCFXTLKSA-N 345.396 0.202 70 20 ECID O=C(NC[C@@H]1CCN1Cc1cnon1)c1cc(S(=O)(=O)F)c[nH]1 1038710694 PDKNGPPGOGHSND-VIFPVBQESA-N 343.340 0.060 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H]2[C@H]1CCN2CCO 1049726310 CXWSUBYWUFERFA-QWHCGFSZSA-N 345.396 0.344 70 20 ECID C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1092967869 IPHBRLZOKPDOHD-NXEZZACHSA-N 328.369 0.494 70 20 ECID COC(=O)[C@@]1(NC(=O)c2ccc(S(=O)(=O)F)cc2C)CCOC1 1337999640 RMBJVEXJKDIRAF-CQSZACIVSA-N 345.348 0.715 70 20 ECID C[C@H]1C(=O)NCCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1349957616 UBKOBHHWYUZLRD-JTQLQIEISA-N 328.365 0.624 70 20 ECID C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC([C@@H](O)C(F)(F)F)CC1 161227098 MMNPGZOFWGQJDN-GZMMTYOYSA-N 337.342 0.998 70 20 ECID O=C(CCn1c(=O)oc2ccccc21)NC[C@@H](O)CN1CCCCC1 160148263 YQHDLCWFGMNYOM-CQSZACIVSA-N 347.415 0.948 70 20 ECID O=C(NCCn1cccc1)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 160182251 OSVMXFPQJBJOFU-UHFFFAOYSA-N 341.371 0.987 70 20 ECID CC(C)[C@H](CCO)NC(=O)CN(C)S(=O)(=O)c1ccccc1 160500371 LPPIDAMOQOLVIW-AWEZNQCLSA-N 328.434 0.830 70 20 ECID CNC(=O)CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C 160608271 SQCXOFZIORESSW-UHFFFAOYSA-N 329.360 0.372 70 20 ECID CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H](C)CO)cc2C[C@@H]1C 159702454 CHDSBHJYXITEHE-MNOVXSKESA-N 326.418 0.891 70 20 ECID CN(CC(=O)NCCOc1cccc(F)c1)CC(C)(CO)CO 159555198 AYAHYYPMXBMOPB-UHFFFAOYSA-N 328.384 0.243 70 20 ECID CCC(=O)N1CC([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1006898047 BRPZSHKPQLFAHM-MRVPVSSYSA-N 331.369 0.660 70 20 ECID CC(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 966171454 ACPPYQWVRXMLLP-JOYOIKCWSA-N 345.396 0.906 70 20 ECID CC#CCNC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1202531658 JMWGNISMJCRALR-UHFFFAOYSA-N 327.381 0.890 70 20 ECID C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1756480417 CTUUWFQLICAFSC-WCABBAIRSA-N 345.396 0.906 70 20 ECID O=C(C[C@@H]1CNCCO1)N1CCN(Cc2cccc(F)c2)C(=O)C1 161009971 VUYNSRCZPWYKFM-OAHLLOKOSA-N 335.379 0.375 70 20 ECID CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCC[C@@H](N)C2)cc1 161366920 CDKKEWFWVHWLJQ-ZIAGYGMSSA-N 339.461 0.913 70 20 ECID CCS(=O)(=O)NCCNC(=O)N1CCC(CCCN(C)C)CC1 160383183 XIJLSAWALIFLHO-UHFFFAOYSA-N 348.513 0.689 70 20 ECID N[C@@H]1CCC[C@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C1 160783168 HWGOJSBVKBKXIJ-CVEARBPZSA-N 331.464 0.980 70 20 ECID C[C@H](NC(=O)CN1CCO[C@]2(CCc3ccccc32)C1)C(=O)N(C)C 159528803 PZFQCUKXPYRXCZ-IFXJQAMLSA-N 345.443 0.753 70 20 ECID CC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1C 159545242 UCYVSAXVAUOCOR-GFCCVEGCSA-N 341.433 0.845 70 20 ECID C#CCCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1037584475 JFQJHQQSHBNGBK-JIMOISOXSA-N 325.365 0.499 70 20 ECID CC(C)=CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1010106129 AXMATGFUNWLOCE-UHFFFAOYSA-N 343.380 0.924 70 20 ECID Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCSCCCO 161461033 FNWLKZOQWBUOEL-UHFFFAOYSA-N 325.390 0.680 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)NC[C@](C)(O)CN(C)C)c1CC 160486932 XFYCNUBRQNTGEC-INIZCTEOSA-N 339.440 0.007 70 20 ECID O=C(NC1CN(Cc2cnsn2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030966159 LXWFFMCKLHTOKZ-UHFFFAOYSA-N 345.381 0.139 70 20 ECID CCCN1CCOC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1051117000 QGBGUXKGQQHFEX-JTQLQIEISA-N 333.385 0.514 70 20 ECID C[C@H](O)CNCCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1175317888 SVPBUIMZPLAZBX-MNOVXSKESA-N 349.428 0.932 70 20 ECID N#Cc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1 1345746619 CWTMTQUVXRSWMP-UHFFFAOYSA-N 336.304 0.619 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H](N2CCCC2=O)C1 1346340332 FZNBNHKNAGQXCM-SNVBAGLBSA-N 343.380 0.900 70 20 ECID CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1516701106 GPLYMXFUCDPACG-JTQLQIEISA-N 349.409 0.666 70 20 ECID Cn1cccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)F)c1 1515237808 WIIRLLJCDDHJHW-UHFFFAOYSA-N 325.321 0.758 70 20 ECID COC(=O)[C@H](O)CNC(=O)[C@H](C)Oc1ccc(Br)cc1 217681096 KJSQLPSTSOOZRF-GZMMTYOYSA-N 346.177 0.867 70 20 ECID COC(=O)[C@H](O)CNC(=O)[C@@H](C)Oc1ccc(Br)cc1 217680913 KJSQLPSTSOOZRF-LDYMZIIASA-N 346.177 0.867 70 20 ECID C[C@@H](C(=O)N1C[C@@H]2CCC[C@H](C1)N2)N1C(=O)NC2(CCCC2)C1=O 160646744 UCBLLUPLKHYGRA-RWMBFGLXSA-N 334.420 0.592 70 20 ECID CC(=O)N1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 965197128 DPFGNLONVYSBIG-SNVBAGLBSA-N 331.369 0.804 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(Cn2cncn2)CC1 1519746566 XMSHIBUMTZGEDL-UHFFFAOYSA-N 341.368 0.817 70 20 ECID NC(=O)NC1(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 160345617 GACPTYUICMHUCJ-UHFFFAOYSA-N 326.466 0.665 70 20 ECID O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1CCOC2(CCCCC2)C1 160610318 IBXFMJAEQHDKFY-CQSZACIVSA-N 344.477 0.715 70 20 ECID CCC[C@@H]1C(=O)NCCN1C(=O)Nc1cccnc1-n1cncn1 160727158 DYIKKDZKYKPXEC-GFCCVEGCSA-N 329.364 0.795 70 20 ECID CC(C)CN(CC(N)=O)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 159758593 WDUCOCDUPDCHCS-UHFFFAOYSA-N 346.387 0.050 70 20 ECID O=C(CC1CC1)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 937601022 CUVLMNZMTIFUJK-JTQLQIEISA-N 343.380 0.804 70 20 ECID O=C(c1ccc(S(=O)(=O)F)cc1)N1CCN([C@@H]2CCOC2)CC1 864243344 GYFRAXXTUYYTTF-CYBMUJFWSA-N 342.392 0.892 70 20 ECID CC(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 955825617 SGTOIVKRRCPYIO-PSASIEDQSA-N 331.369 0.802 70 20 ECID CCCCN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1083786240 QDJJKJGDTXULCH-NEPJUHHUSA-N 333.385 0.248 70 20 ECID CCN(CCO)C1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1098480968 FXIOJEREJWLDDF-UHFFFAOYSA-N 347.412 0.592 70 20 ECID O=C(NCCCN1CCCCC1=O)c1cc(S(=O)(=O)F)c[nH]1 1338389181 HBOJIQHGBLAMOF-UHFFFAOYSA-N 331.369 0.805 70 20 ECID O=C(NCc1nnnn1C1CC1)c1cccc(S(=O)(=O)F)c1 1338251059 RIVTVXWJBGQQAX-UHFFFAOYSA-N 325.325 0.596 70 20 ECID O=C(NC[C@@H]1CCCCS1(=O)=O)c1cc(S(=O)(=O)F)c[nH]1 1262732627 OWOAYCXFUGUUKD-QMMMGPOBSA-N 338.382 0.370 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C)S1(=O)=O 1349611928 SYKREFIVGCRYTK-HTQZYQBOSA-N 338.382 0.321 70 20 ECID CC[C@H](CN1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)OC 1043896391 OUVOSZNWOXFCBN-LLVKDONJSA-N 347.412 0.854 70 20 ECID CC(C)C(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952163168 RFXYYBQRKYXPMQ-VIFPVBQESA-N 331.369 0.660 70 20 ECID C[C@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN(C(=O)C2CC2)C1 957624860 LVFIMIFFHQKPGM-AWEZNQCLSA-N 343.380 0.804 70 20 ECID C=C(C)CN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090575440 GKNNKDFIGCUACV-DGCLKSJQSA-N 345.396 0.414 70 20 ECID CN(CCCO)C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1753355184 FRRCBUMOJNFOAW-LLVKDONJSA-N 347.412 0.449 70 20 ECID CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 161256718 FLZPTERELAEUTB-KGLIPLIRSA-N 348.451 0.787 70 20 ECID C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)CC(C)(CO)CO 159571514 KRNZKQSUTONJHU-SNVBAGLBSA-N 336.392 0.106 70 20 ECID CCC(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 946476123 NSXVPTBXBMARFS-KOLSJAJHSA-N 329.353 0.412 70 20 ECID O=C(NC[C@H]1C[C@H](NC(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 980563070 BRJKNGDINAUMAH-CZMCAQCFSA-N 343.380 0.708 70 20 ECID COCCCCN1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1754494142 LYKZDXMYXAZYIF-NSHDSACASA-N 347.412 0.904 70 20 ECID CCS(=O)(=O)NCc1ccc(C(=O)N2CCOC[C@@H]2C)cc1 160196924 YLZBIMGBVHFBTD-LBPRGKRZSA-N 326.418 0.987 70 20 ECID CN(C)c1cc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)ccn1 160468975 VYKLGFADMMGGMA-OLZOCXBDSA-N 340.449 0.595 70 20 ECID C=CCN1CCCO[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1073769948 WWINAJGSHGOHLJ-LLVKDONJSA-N 345.396 0.680 70 20 ECID CCCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)c2cccnc2)C1 160148995 LHOCNTNLLGWPOI-CQSZACIVSA-N 332.404 0.719 70 20 ECID Cc1noc(C)c1CC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 160714600 LJQQWDBRSKAVNO-AAEUAGOBSA-N 329.422 0.668 70 20 ECID CC(C)NC(=O)CN1CCN(C(=O)[C@@H](C)C2CCOCC2)CC1 159625629 ZGVFSRQYQYJHOU-AWEZNQCLSA-N 325.453 0.718 70 20 ECID CC(C)(C)C(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1004490630 XNBGXTFLTDTTKD-UHFFFAOYSA-N 345.396 0.907 70 20 ECID O=S(=O)(OCC(F)(F)N1C[C@@H]2CCNC[C@@H]2C1)C(F)(F)F 923521539 NYSXDSPIYMMFMU-JGVFFNPUSA-N 338.298 0.987 70 20 ECID C#CCN[C@@H]1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]21 1026360391 LDTQPXQSRBIULT-RAIGVLPGSA-N 339.392 0.746 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N1CCCn2nnnc21 1338938648 GDYPCHZDUNYTNT-UHFFFAOYSA-N 325.325 0.690 70 20 ECID C[C@H](CS(C)(=O)=O)N(C)C(=O)c1cccc(S(=O)(=O)F)c1 1516689769 NFXSMXKBOZVXMZ-SECBINFHSA-N 337.394 0.850 70 20 ECID COCC(C)(C)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 160923426 YPHPASDJUKFMJQ-UHFFFAOYSA-N 325.453 0.816 70 20 ECID O=C(N[C@H]1[C@H]2C[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2)C1CC1 946503590 DHDWWJJZOLYWET-AXTRIDKLSA-N 341.364 0.412 70 20 ECID O=C1c2ccc(Cl)cc2S(=O)(=O)N1CCS(=O)(=O)F 883953806 LSFTYWSZKMSNQO-UHFFFAOYSA-N 327.742 0.784 70 20 ECID COC[C@H](C)N1CC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1085820184 SEMWSXLXTOYTMO-QWRGUYRKSA-N 347.412 0.854 70 20 ECID CC1(C(=O)NC2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CCC1 997482521 JBBCZSZOIVIQRZ-UHFFFAOYSA-N 343.380 0.804 70 20 ECID O=S(=O)(Cc1ccon1)NC[C@@H](O)COc1ccc(F)c(F)c1 161279107 WMNKFEVNXCXRPV-SNVBAGLBSA-N 348.327 0.812 70 20 ECID CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCc1cccc(O)c1 160228393 YOABJDXKBNNNCN-CQSZACIVSA-N 326.418 0.865 70 20 ECID COCc1cc(N2CCC[C@H]2CN2CCOCC2)n2ncnc2n1 160426593 BYRISASKARXZCI-AWEZNQCLSA-N 332.408 0.572 70 20 ECID CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H]3CCC[C@@H](N)C3)ccc21 160933792 GBXQBDCBSONGHK-NEPJUHHUSA-N 330.388 0.709 70 20 ECID C=CCN1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]2C1 1049065043 OXICGRRMYOXZJC-PHIMTYICSA-N 327.381 0.863 70 20 ECID C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 951612280 RDQONBHWGKWHCE-NGZCFLSTSA-N 343.380 0.660 70 20 ECID Cc1nnc([C@@H](C)NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)o1 1133981274 KZAXKGIIXPFJHM-SSDOTTSWSA-N 345.356 0.445 70 20 ECID C#CCCN1CC([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970423613 LPLBQPVXECRJSX-JTQLQIEISA-N 327.381 0.746 70 20 ECID C#CCNC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1185167674 DDKFPOMTVGRFAI-VXGBXAGGSA-N 341.408 0.994 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN([C@H]2CCOC2)CC1 1354885250 LBADKIXXKWIJJJ-JTQLQIEISA-N 331.369 0.220 70 20 ECID COc1cc(C(=O)N[C@@H](C(=O)O)C2CC2)ccc1S(=O)(=O)F 1607075798 JHSXQAGJNHAZOI-LLVKDONJSA-N 331.321 0.946 70 20 ECID CNC(=O)CNC(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1 160053355 NGVZJHPJOJOTTA-UHFFFAOYSA-N 329.360 0.290 70 20 ECID Cc1cc(C[C@H](C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)n[nH]1 159698255 DTBAAMBWANZWME-JOYOIKCWSA-N 330.454 0.729 70 20 ECID CC(C)(CNC(=O)CCCNC(=O)c1cccnc1)N1CCOCC1 159903545 JZYOHHFFOGKXPS-UHFFFAOYSA-N 348.447 0.819 70 20 ECID CCOC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 217286176 ANMSJXFWSSQCDR-LBPRGKRZSA-N 340.424 0.870 70 20 ECID O=C(NC1CN(Cc2ccccn2)C1)c1cc(S(=O)(=O)F)c[nH]1 1030966223 OIPOVQACDQIBAG-UHFFFAOYSA-N 338.364 0.682 70 20 ECID C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164657 YXJMNSHCCRXIMC-DTWKUNHWSA-N 342.352 0.163 70 20 ECID C=CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1083196454 SSFAUTKQMSXJTD-QWHCGFSZSA-N 343.380 0.384 70 20 ECID C[C@@H](O)CCCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1566773453 GZQSZAXNEICOPZ-MNOVXSKESA-N 347.412 0.638 70 20 ECID CCc1c(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)cnn1CC(C)C 161265409 LLMXYOWCVBCMIR-LBPRGKRZSA-N 342.465 0.865 70 20 ECID CN(C)C(=O)N1CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)CC1 160158058 FVTUXMPTLCVAPN-UHFFFAOYSA-N 328.376 0.911 70 20 ECID O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCNC1 160434771 XVETTZSQCABFRA-BXKDBHETSA-N 326.780 0.870 70 20 ECID C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)OCc1ccccc1 159644163 VKNKNQBTGKLDJK-TZMCWYRMSA-N 326.418 0.742 70 20 ECID O=S(=O)(CC[C@H]1CCCO1)N1CCC(Cn2ccnn2)CC1 159476393 WIABXKVGMIBSOF-CQSZACIVSA-N 328.438 0.889 70 20 ECID CC(=O)N[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1C 1004290308 KUQZJVJFIANVCS-UFBFGSQYSA-N 331.369 0.660 70 20 ECID O=C(N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12)c1cc(S(=O)(=O)F)c[nH]1 1601578281 KRCPTYUGVPLOGW-ZXZZCXTASA-N 330.337 0.902 70 20 ECID Cc1ccc(NCC(=O)NCC(=O)NC(C)(C)C)cc1-n1cnnn1 161224635 IQSFPXAZWGLJGD-UHFFFAOYSA-N 345.407 0.414 70 20 ECID Cc1c(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)nnn1C 460090458 GDRZJYNHRSQFCT-UHFFFAOYSA-N 334.354 0.583 70 20 ECID CC(C)N1CC2(CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CCO2)C1 1053433714 FMSUNRUVBPBIBN-UHFFFAOYSA-N 345.396 0.608 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)C(C)(C)C)CC2 161210923 ABIYTKUWLANJJC-WDEREUQCSA-N 325.413 0.446 70 20 ECID CCOC(=O)CN(C)CC(=O)N1CCN(c2ccc(F)cc2)CC1 159505072 CPCYYNWIRCQUSF-UHFFFAOYSA-N 337.395 0.969 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 161478162 FHGDJMHDWXMEEU-JKSUJKDBSA-N 340.395 0.713 70 20 ECID CC(=O)N1CCN(C(=O)CCNC(=O)CCCn2cccc2)CC1 159452120 SBCQXADRUQIIJO-UHFFFAOYSA-N 334.420 0.465 70 20 ECID O=C1CO[C@H]2CCN(C(=O)c3cccc(S(=O)(=O)F)c3)C[C@@H]2N1 1121095435 QWVPUIRSQPLUAM-RYUDHWBXSA-N 342.348 0.074 70 20 ECID O=C(NC1CC(CNC(=O)C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 991844069 VSKWYEOAMKUORI-UHFFFAOYSA-N 343.380 0.708 70 20 ECID CCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1 1090576234 KXQVBKOAMVNWQZ-PWSUYJOCSA-N 333.385 0.248 70 20 ECID CO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C(=O)O)C1 1599122108 ZIJZJLIAEIOTNK-XCBNKYQSSA-N 334.325 0.377 70 20 ECID CC(C)CCn1ccc(NC(=O)NCCCNS(C)(=O)=O)n1 161039845 NQHDDYAONDHHEZ-UHFFFAOYSA-N 331.442 0.990 70 20 ECID NC(=O)Cc1csc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1345451392 JIJKOIAJHNKIKH-UHFFFAOYSA-N 332.338 0.410 70 20 ECID O=C(NCCCN1CCC(O)CC1)c1cc(S(=O)(=O)F)c[nH]1 1346291730 UMWNOKBLAWSRDB-UHFFFAOYSA-N 333.385 0.250 70 20 ECID CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCC[C@@H](N)C2)c1 161346468 IYYCONZFMSAZIB-VXGBXAGGSA-N 325.434 0.903 70 20 ECID CC(=O)NCC(=O)NCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C 161427182 ULIVALSCBTWWLE-UHFFFAOYSA-N 333.348 0.477 70 20 ECID CCC(C)(C)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 159433853 ZORFKAKSPQUHON-CYBMUJFWSA-N 348.447 0.826 70 20 ECID O=C1C[C@H](C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CCN1 159722142 UEGBTRKFMACOEQ-CVEARBPZSA-N 331.416 0.702 70 20 ECID COCCn1cc(C(=O)Nc2cccc(S(=O)(=O)F)c2)nn1 460094045 QOCKZFJXFPXBGW-UHFFFAOYSA-N 328.325 0.835 70 20 ECID O=C(NC1[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]12)C1CC1 1012648200 JRWUSNFEOWCQFL-NXEZZACHSA-N 341.364 0.270 70 20 ECID COCCNC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1202531396 GDSSSSOUCHZXRN-UHFFFAOYSA-N 333.385 0.514 70 20 ECID O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCO)c1cc(S(=O)(=O)F)c[nH]1 1096030018 XCBUWTWCEBFUOD-QRTLGDNMSA-N 331.369 0.000 70 20 ECID COC(=O)[C@H](O)CNC(=O)COc1cccc(Br)c1 217733093 CQXXLHMHDNRSPV-SNVBAGLBSA-N 332.150 0.478 70 20 ECID COc1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)ccc1S(=O)(=O)F 1594050427 BLDLYTGTQADWHD-DTORHVGOSA-N 331.321 0.946 70 20 ECID Cc1c(NC(=O)C(=O)NCC(=O)NC2CC2)cnn1-c1ccccc1 160080172 YGWQYZUWGNTOMS-UHFFFAOYSA-N 341.371 0.514 70 20 ECID CN1CCN(c2cc(CNC(=O)N3CCC[C@](C)(O)C3)ccn2)CC1 160222612 TXMORGYBHCXAFX-SFHVURJKSA-N 347.463 0.890 70 20 ECID CCC(N)(CC)CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C 160454261 UBJRESBDJVSBFJ-SNVBAGLBSA-N 346.453 0.592 70 20 ECID CCN1CCN(C[C@H](C)CNC(=O)N2CCCN(CC)CC2)CC1 159910046 WGIIFVMSNDEJFR-QGZVFWFLSA-N 339.528 0.997 70 20 ECID CN(CC(=O)NCCCN1CCCCCC1=O)C[C@@H]1CCC[C@@H]1O 159721224 WWUZSNCLMVXIEW-HOTGVXAUSA-N 339.480 0.988 70 20 ECID Cc1cccc(OC[C@@H](O)CNS(=O)(=O)Cc2ccon2)c1 159923727 ZTZMUCUNADNALH-ZDUSSCGKSA-N 326.374 0.842 70 20 ECID CC[C@@H]1CCC[C@H]1NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 159593912 AHMRYYRGVOMGAS-VXGBXAGGSA-N 328.438 0.702 70 20 ECID Cn1cc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)c(=O)n(C)c1=O 159798778 NTDYTWVXHJZSSE-QWRGUYRKSA-N 327.406 0.037 70 20 ECID CSC[C@](C)(O)CNC(=O)Cn1cnc2sccc2c1=O 217702053 OTXCHHQIRHTAEP-CYBMUJFWSA-N 327.431 0.688 70 20 ECID CCc1noc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1133981601 VFTLCGSQOHMMDH-UHFFFAOYSA-N 345.356 0.138 70 20 ECID C=C(C)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1 1090575444 GKNNKDFIGCUACV-WCQYABFASA-N 345.396 0.414 70 20 ECID CCOCCN(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192398784 RGBQJYYKMUAXTN-LLVKDONJSA-N 347.412 0.856 70 20 ECID O=C1NCCN1CC1CCN(c2ccc(S(=O)(=O)F)cn2)CC1 1551201628 ZULKNSRWGNGDQG-UHFFFAOYSA-N 342.396 0.981 70 20 ECID C[C@@H]1CCC[C@H](C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 160489920 HLXFOTIXNVJTDS-FRRDWIJNSA-N 330.450 0.622 70 20 ECID CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 959280273 CFFKRPRJLGHUME-WCBMZHEXSA-N 331.369 0.660 70 20 ECID C#CCN[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1085335834 QWEJIDLJCUQEJE-VXGBXAGGSA-N 327.381 0.937 70 20 ECID CC1(C)NC(=O)N(CCCn2c(-c3cccnc3)noc2=O)C1=O 161270198 NBURRXIHWKZITE-UHFFFAOYSA-N 331.332 0.619 70 20 ECID O=C(NCCCn1ccnc1)N1CCCN(c2cccnn2)CC1 160767112 PAYPDJPAFQPHOC-UHFFFAOYSA-N 329.408 0.985 70 20 ECID COCc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@H](N3CCCC3)C1)CC2 160980728 SMJCSMOFFFFRTL-KBPBESRZSA-N 348.451 0.619 70 20 ECID CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1cn(C)c(Cl)n1 159698538 LTCPLJZJSOWZBM-UHFFFAOYSA-N 343.858 0.517 70 20 ECID O=S(=O)(NC[C@H](O)COc1ccc(F)cc1)N1CCCCC1 159960008 IXABHNXIFXOCJN-ZDUSSCGKSA-N 332.397 0.886 70 20 ECID O=C(NC1(C(=O)O)CCOCC1)c1ccc(S(=O)(=O)F)cc1 1594723264 MHRJZCRSZGKVQK-UHFFFAOYSA-N 331.321 0.708 70 20 ECID Cc1cc(C[C@H](C)NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)n[nH]1 161326602 PMNQASKCPRUEQK-FVMDXXJSSA-N 333.392 0.486 70 20 ECID COc1cccc2c1CC[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 160038157 ILINELWHYJVRCK-AWEZNQCLSA-N 338.429 0.529 70 20 ECID CC[C@H](NC(=O)N1CC[C@H](S(=O)(=O)NC)C1)c1ccncc1 160308838 FGGJABZUDFISLR-STQMWFEESA-N 326.422 0.866 70 20 ECID Cc1cc(O)cc(=O)n1CC(=O)N[C@@](C)(C(N)=O)c1ccccc1 159829360 UAKXWBKBDAIPCF-QGZVFWFLSA-N 329.356 0.379 70 20 ECID CC(=O)NCC1=CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1017218869 PWALDINFUZBVLY-UHFFFAOYSA-N 329.353 0.581 70 20 ECID C[C@H]1C[C@H](NCCO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1044745846 DYMGNVYVLOQTRA-VHSXEESVSA-N 333.385 0.248 70 20 ECID COCCCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1208646406 KCGGGLVLJZAWKV-ZWNOBZJWSA-N 347.412 0.760 70 20 ECID COC[C@H](C)NC1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1755861839 KJDFPOIPARTCLU-WHXUTIOJSA-N 347.412 0.900 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)C(C)(C)C)CC2 161210680 ABIYTKUWLANJJC-GHMZBOCLSA-N 325.413 0.446 70 20 ECID O=c1[nH]ncc(NCCNS(=O)(=O)c2cccnc2)c1Cl 161211658 OENJPMLNAYFYJL-UHFFFAOYSA-N 329.769 0.209 70 20 ECID CC(C)n1nccc1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 161213524 DVVKNTWNEGQSMC-UHFFFAOYSA-N 349.435 0.081 70 20 ECID Cc1noc(CCCC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)n1 160370543 KCIZIKSDZVIOBD-RYUDHWBXSA-N 344.437 0.535 70 20 ECID CS(=O)(=O)NCCCNS(=O)(=O)Cc1c(F)cccc1F 160438454 WNYMYQSLOLUDLG-UHFFFAOYSA-N 342.389 0.324 70 20 ECID CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N(C)C[C@H](O)C2CC2)C1 160815591 QODGVVKVJQYZGD-YUELXQCFSA-N 326.437 0.879 70 20 ECID CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2nc(C)c(C)[nH]c2=O)CC1 159746067 XKYSTCBFWPCIND-LLVKDONJSA-N 349.435 0.059 70 20 ECID C[C@@H]1CCC[C@@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 159363010 XDNGNOQVSURBOG-HZPDHXFCSA-N 337.464 0.816 70 20 ECID CC(=O)NCC1[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]12 1008659474 BNUYIWNVDAHABC-QWRGUYRKSA-N 329.353 0.127 70 20 ECID N#CCN1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1024652942 YWEXGJFTSXFRAT-JTQLQIEISA-N 328.369 0.781 70 20 ECID O=C(COC(=O)c1cccc(S(=O)(=O)F)c1)NC[C@H]1CCCO1 1335167674 UHARIQACSQNVJP-LLVKDONJSA-N 345.348 0.797 70 20 ECID Cc1cc(NCC(=O)NCC(=O)NC(C)(C)C)ccc1-n1cnnn1 161206344 KZOSUPYQNBZNDU-UHFFFAOYSA-N 345.407 0.414 70 20 ECID O=C(NC[C@@H]1CCN1Cc1ccon1)c1cc(S(=O)(=O)F)c[nH]1 1038707344 DQUGRQYSVREJNU-JTQLQIEISA-N 342.352 0.665 70 20 ECID C#CCN1CCCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1034403659 JILHZMPNAKCQBL-LLVKDONJSA-N 327.381 0.890 70 20 ECID C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCCO 947726470 OQKRYTKSIMNLOW-WDEREUQCSA-N 347.412 0.638 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)NC[C@H]1CCCS1(=O)=O 1338833582 HWNJVRFLLSWXLZ-LLVKDONJSA-N 349.405 0.960 70 20 ECID C[C@@H]1C(=O)N(C)CCN1C(=O)CCc1ccc(S(=O)(=O)F)cc1 1262791422 SMJAGHCLCDZLBU-LLVKDONJSA-N 342.392 0.967 70 20 ECID COCCC(=O)N(C)[C@H](C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1756070952 POQCQXBYLMJRTO-SECBINFHSA-N 349.384 0.286 70 20 ECID CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H](CC)N(C)C)cc1 161253219 GZEDWGYWTOGXBN-CQSZACIVSA-N 327.450 0.941 70 20 ECID O=C1O[C@@H](C(=O)NC[C@@H](O)CN2CCCCC2)Cc2ccccc21 160280556 XVLGUIHJMNTIIA-GDBMZVCRSA-N 332.400 0.731 70 20 ECID Cc1nc(CC(=O)N2CCC(NS(C)(=O)=O)CC2)c(C)s1 160690118 MZUKMTFSKQBQKG-UHFFFAOYSA-N 331.463 0.843 70 20 ECID C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1CNCC#N 1133124588 BONBXMJFPTZDCJ-MNOVXSKESA-N 342.396 0.884 70 20 ECID COCCN1CC([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970423076 GZIMUQGPQYNLAA-SECBINFHSA-N 333.385 0.369 70 20 ECID O=C(NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CCCC1 990037025 ANNGCLVZHHLOEZ-UHFFFAOYSA-N 343.380 0.804 70 20 ECID Cc1ccc(NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)nc1 161020103 UXKOQYGXRRCMDK-UHFFFAOYSA-N 339.355 0.896 70 20 ECID O=S(=O)(NCC1CCN(CCO)CC1)c1c(F)cccc1F 161404055 MCKSLEVOLQJMRW-UHFFFAOYSA-N 334.388 0.947 70 20 ECID C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F)C(N)=O 160182785 FWIBWFCAADRNNG-ZCFIWIBFSA-N 330.266 0.496 70 20 ECID COC(=O)c1ccc2[nH]cc(C(=O)CN3CCNC(=O)[C@@H]3C)c2c1 160855209 ASTVLFDDQLNTQT-JTQLQIEISA-N 329.356 0.958 70 20 ECID CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)o1 159912465 YCGLGKNSYVNICL-OUAUKWLOSA-N 328.390 0.875 70 20 ECID COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CC1CCOCC1 217347712 HZXDLYQCLPGATI-UHFFFAOYSA-N 342.417 0.841 70 20 ECID CN(CCO)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1027581884 HPZQIGIVCHJTES-SNVBAGLBSA-N 333.385 0.202 70 20 ECID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1NC(=O)C1CC1 966841746 MWPBTGUSFGKVCR-PELKAZGASA-N 343.380 0.660 70 20 ECID C[C@H](C(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CC1 990687743 NNSVLEAYXMSBQM-QMMMGPOBSA-N 343.380 0.660 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H](N2CCOCC2)C1 1349612574 ZUFRQXUHZVGNMA-LLVKDONJSA-N 345.396 0.610 70 20 ECID O=C(NC1CC1)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346641208 BWPNSXBIQQJYSY-SECBINFHSA-N 344.368 0.349 70 20 ECID C[C@](O)(CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F)C(=O)O 1593416946 ITGYAKZRLUTALJ-NSHDSACASA-N 336.297 0.642 70 20 ECID COC[C@H](O)CCNC(=O)c1cc(I)c[nH]1 161476120 XTKMIYMVGJDFGT-MRVPVSSYSA-N 338.145 0.747 70 20 ECID Cc1conc1NC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 160343249 BKDPKWWDHSLCJC-UHFFFAOYSA-N 329.360 0.661 70 20 ECID NC(=O)[C@H]1CC[C@H](CN[C@H](C(=O)NC2CC2)c2ccc(F)cc2)O1 160780520 LZRDMESDEASCMW-KFWWJZLASA-N 335.379 0.768 70 20 ECID CO[C@@H](C)CN1CC[C@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046627698 HZGYAPRHZFTNFB-HZMBPMFUSA-N 347.412 0.902 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOC[C@H]1[C@@H]1CCCO1 1349531443 DMLLCQZOIAOXLL-RYUDHWBXSA-N 332.353 0.693 70 20 ECID Cn1cc([C@@H]2CN(c3ccc(S(=O)(=O)F)cn3)C[C@H]2CO)cn1 1551211135 ZJFNIKWXJNHFQL-AAEUAGOBSA-N 340.380 0.686 70 20 ECID O=C(Cn1ccc(=O)[nH]c1=O)N1CC[C@@H](Oc2ccccc2Cl)C1 161272868 CKZTZCNCQTUDIA-LLVKDONJSA-N 349.774 0.870 70 20 ECID O=C(CN1CCN(S(=O)(=O)F)CC1)N1CCc2ccccc21 1887504538 JEBNZXMBUWDVCX-UHFFFAOYSA-N 327.381 0.408 70 20 ECID N#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1052715897 ILAAGUALAXGTBF-SNVBAGLBSA-N 328.369 0.781 70 20 ECID COC[C@@H](C)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185731174 OXDWOFNDLMIVBU-NXEZZACHSA-N 333.385 0.512 70 20 ECID O=C(NC1(c2ncon2)CCOCC1)c1cc(S(=O)(=O)F)c[nH]1 1346317611 BUFVVALQXVWVOW-UHFFFAOYSA-N 344.324 0.492 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCCC[C@@H]1O)CC2 161177388 JCRJMSKVZJQHJU-UPJWGTAASA-N 337.424 0.590 70 20 ECID CCN1CCN(Cc2ccc(NC(=O)C3(NC(N)=O)CC3)cc2)CC1 160357847 KIZLJFVUYZWKAL-UHFFFAOYSA-N 345.447 0.964 70 20 ECID CCCc1cc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)[nH]n1 160442479 HQKNWKNEFYNCSO-JQWIXIFHSA-N 328.438 0.810 70 20 ECID CN[C@@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)C1 160738262 DBEVXAYRUQZDMR-CYBMUJFWSA-N 325.434 0.348 70 20 ECID CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H](CO)CC(C)C)cnc21 160781496 LTQAZWZUBVVBLX-LBPRGKRZSA-N 348.403 0.632 70 20 ECID NC(=O)[C@H]1CCCN1C1CCN(CCC(=O)N2CCCCC2)CC1 159427171 HUGNRZXGGRKPIS-MRXNPFEDSA-N 336.480 0.803 70 20 ECID CCCN(C(=O)[C@@H](C)Nc1cc(C)n(C)n1)[C@@H]1CCS(=O)(=O)C1 159591676 UVRKNHQRXURFOB-CHWSQXEVSA-N 342.465 0.955 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](NC[C@@H]2CCOC2)C1 969991914 OKQWLWLNPYMPLG-WDEREUQCSA-N 345.396 0.514 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(NCCCO)CC1 1202532557 ZQGJQKMDIWKLNR-UHFFFAOYSA-N 333.385 0.250 70 20 ECID C[C@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)C(=O)NCCF 1337438723 WCTXLYBTHHNGRC-VIFPVBQESA-N 334.344 0.478 70 20 ECID NC(=O)CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1347457460 GYUZLGGTPBETMJ-VIFPVBQESA-N 331.369 0.791 70 20 ECID C=CCCCN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1196227649 HCGGDAGJWGFPCH-CHWSQXEVSA-N 345.396 0.414 70 20 ECID CC(=O)N1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](C)C1 959303506 ZGRIHADGQFFMSH-WPRPVWTQSA-N 331.369 0.517 70 20 ECID CC(C)N[C@@H](C)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 979385035 FMCNPWOARCPTPH-GWCFXTLKSA-N 347.412 0.900 70 20 ECID COCCN1CCN(C(=O)c2cccc(S(=O)(=O)F)c2)CC1=O 1262732508 KDJWRCQTMVHIPX-UHFFFAOYSA-N 344.364 0.276 70 20 ECID COC[C@H](O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 161432443 ZRQAOQZGPWBLCR-PBHICJAKSA-N 347.415 0.729 70 20 ECID N[C@@H]1CCC[C@@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C1 160783033 HWGOJSBVKBKXIJ-HZPDHXFCSA-N 331.464 0.980 70 20 ECID Cn1cnc2cc(C(=O)NCCCCN3CCC[C@H]3CO)cnc21 160902229 ZYTFHQZSZSSNFZ-AWEZNQCLSA-N 331.420 0.935 70 20 ECID O=C(NCCCNC[C@H]1CCCOC1)c1cc(S(=O)(=O)F)c[nH]1 1166871555 JKWZSKKVTXDBGJ-LLVKDONJSA-N 347.412 0.809 70 20 ECID Cc1nocc1CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166871623 LNOLREIQGQOJIW-UHFFFAOYSA-N 344.368 0.879 70 20 ECID CNC(=O)CCCN(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C 159490374 VYEPVYBZPTVSBW-INIZCTEOSA-N 334.464 0.864 70 20 ECID O=S(=O)(F)c1cccc(NS(=O)(=O)N2CCCOCC2)c1 844660895 OYFUNUMWCMRBIU-UHFFFAOYSA-N 338.382 0.724 70 20 ECID O=C(N[C@H]1CCN(C(=O)C2CCC2)C1)c1cc(S(=O)(=O)F)c[nH]1 938844508 BJEKOMLJJYZJCC-JTQLQIEISA-N 343.380 0.804 70 20 ECID COC(=O)Cn1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)n1 1121032715 WITVUXMOONSDCL-UHFFFAOYSA-N 341.320 0.967 70 20 ECID CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 160161390 AXGMFSLYTXNAGH-AWEZNQCLSA-N 346.431 0.965 70 20 ECID Cc1noc(C)c1CC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 160714728 LJQQWDBRSKAVNO-YPMHNXCESA-N 329.422 0.668 70 20 ECID O=C(NC[C@@H]1CCCS1(=O)=O)N1CCN(c2ccccn2)CC1 159867564 PYBTWRGAVQXDPF-ZDUSSCGKSA-N 338.433 0.490 70 20 ECID CC(=O)N(Cc1nnc(C2CC2)n1C)[C@H]1CCN(S(=O)(=O)F)C1 1887579190 QVQXKYPLQFWUSH-NSHDSACASA-N 345.400 0.330 70 20 ECID COCCCN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1113353903 SVLZJZNLOHVFNP-UHFFFAOYSA-N 333.385 0.467 70 20 ECID O=C(NC[C@H]1COCCN1CC1CC1)c1cc(S(=O)(=O)F)c[nH]1 1051116493 JNZWMFMUUBDXFV-NSHDSACASA-N 345.396 0.514 70 20 ECID C=CCN1C[C@H]2[C@H](CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 978717932 JZDHALNFNHYKNY-CNDDSTCGSA-N 327.381 0.767 70 20 ECID O=C(NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CCC1 990033659 XIPZLRHFZXLOJR-UHFFFAOYSA-N 329.353 0.414 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 1345746746 FBQGKNQAMCYIAS-OLZOCXBDSA-N 345.396 0.344 70 20 ECID C[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)[C@@H]1CN(C)CCO1 1340086953 DLZAZSFNKNTQAG-MFKMUULPSA-N 330.381 0.794 70 20 ECID Cn1cnc2cc(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)cnc21 160328162 XOMOERQUWNBBBX-LBPRGKRZSA-N 344.419 0.286 70 20 ECID O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H](CO)C1 160914795 CXOGHLUAGULCFP-IRXDYDNUSA-N 333.432 0.911 70 20 ECID CNC(=O)CCCN(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 159429510 JZLBXHQVVUVNKW-UHFFFAOYSA-N 326.378 0.003 70 20 ECID Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)[nH]n1 159685640 AOEBCIAECWBXQY-HUUCEWRRSA-N 344.419 0.582 70 20 ECID COCCN1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1=O 159755373 RJBJLANCUMGAJI-UHFFFAOYSA-N 332.282 0.426 70 20 ECID CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@@H](N(C)C)C1 217139784 KPGWVYNDZYBQCZ-HUUCEWRRSA-N 325.453 0.957 70 20 ECID O=C1CCN(CC(=O)Nc2cccc(S(=O)(=O)F)c2)C(=O)N1 460091234 JYQYDWOBZQOJLE-UHFFFAOYSA-N 329.309 0.225 70 20 ECID C[C@H](O)CN1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1003643494 OZVRPJSDDCMFNU-VIFPVBQESA-N 333.385 0.248 70 20 ECID COCCCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185731373 UHTMJCHNASVLIX-SNVBAGLBSA-N 333.385 0.514 70 20 ECID Cn1ccnc1CS(=O)(=O)CC(=O)NCc1ccccc1F 161198610 DTIQGYGVNWYPLV-UHFFFAOYSA-N 325.365 0.790 70 20 ECID CS(=O)(=O)N[C@H]1CCCN(C(=O)c2cccc(-c3ncn[nH]3)c2)C1 160320179 BXVNUUFDBHCDFF-ZDUSSCGKSA-N 349.416 0.626 70 20 ECID O=C(NCC1CCN(CCO)CC1)c1cnc2sccn2c1=O 160596151 UHIFTPXNGBFGCE-UHFFFAOYSA-N 336.417 0.190 70 20 ECID CC(=O)N1CC[C@H](NC(=O)C[C@H](NC(N)=O)c2cccc(C)c2)C1 159609591 HAOXTVWJQFEWEP-GJZGRUSLSA-N 332.404 0.832 70 20 ECID CCOCCNC(=O)COC(=O)c1ccc(S(=O)(=O)F)cc1 838094379 WZYDGZDOXMWGBB-UHFFFAOYSA-N 333.337 0.654 70 20 ECID CCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1014070682 FCWCNXSNHYCMJS-DTWKUNHWSA-N 331.369 0.802 70 20 ECID COC[C@H](C)N1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1038711505 ZHVRUGWUVBNFIQ-VHSXEESVSA-N 333.385 0.512 70 20 ECID COCC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H]1C 990017798 XCGDDXUGSUPGME-SCZZXKLOSA-N 347.368 0.039 70 20 ECID CS(=O)(=O)C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1338942191 COQWHPSJRULABN-MRVPVSSYSA-N 338.382 0.180 70 20 ECID N#CCN(CCC(=O)O)C(=O)Cc1ccc(S(=O)(=O)F)cc1 1601069733 GFTUZMVCTCHGFJ-UHFFFAOYSA-N 328.321 0.714 70 20 ECID CN1N=C(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)CCC1=O 160643054 MOXBZTXRHFYEGO-LSDHHAIUSA-N 336.436 0.479 70 20 ECID O=C(NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)[C@H]1CC12CC2 1000517009 VWPMPOPARSEAKN-SNVBAGLBSA-N 341.364 0.414 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H](CNCCCO)C1CC1 1755567380 MXQWTQFWKRFHKC-CYBMUJFWSA-N 347.412 0.496 70 20 ECID CNC[C@@H]1CCCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 161195206 BXIKBDUYNBGMQL-GUYCJALGSA-N 330.388 0.565 70 20 ECID CC(C)[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 160030315 DFSWLEQZNZWSPQ-AWEZNQCLSA-N 325.434 0.809 70 20 ECID Cn1cnc(S(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1Cl 160182571 MGLCCCQWDBZVOK-BDAKNGLRSA-N 332.813 0.363 70 20 ECID Cn1ncc2c(=O)n(CC(=O)N[C@@H]3CCOC4(CCCC4)C3)cnc21 159828022 UFQYPPXZGMBVDF-GFCCVEGCSA-N 345.403 0.738 70 20 ECID Cc1ccc([C@@H](O)CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 159461586 SPPYAFGLMAIKNC-AWEZNQCLSA-N 337.401 0.444 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)NC[C@H](C)S(C)(=O)=O 1338030930 XWXPBWHHZFBZKN-VIFPVBQESA-N 337.394 0.816 70 20 ECID O=C(NCCCOC[C@@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1340089118 XGRPLLJXZRJBAU-JTQLQIEISA-N 334.369 0.846 70 20 ECID O=C(NCCC(=O)N1CCOCC1)c1cccc(S(=O)(=O)F)c1 1340626277 YJUAZXLDLPTPQG-UHFFFAOYSA-N 344.364 0.324 70 20 ECID CN1CCN(CCCN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1520866218 UXXBLUNAGNQPEI-UHFFFAOYSA-N 346.428 0.382 70 20 ECID N[C@H]1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2)C1 161162962 VPDQMPDRZICHFL-STQMWFEESA-N 325.434 0.741 70 20 ECID CN(CC(=O)N1CCOCC1)C(=O)Nc1ccn(CC(F)(F)F)n1 160483728 HIKHDUSNJBHYRN-UHFFFAOYSA-N 349.313 0.768 70 20 ECID C[C@H](CC(=O)N1C[C@H]2[C@@H](C1)OCCN2C)NC(=O)c1ccccc1 159664536 RBAHXOCXWKDQEW-VNQPRFMTSA-N 331.416 0.736 70 20 ECID CC[C@@H](CCO)NC(=O)[C@@H](CCSC)NS(=O)(=O)CC 160117899 OLCONFUEOOCAIW-WDEREUQCSA-N 326.484 0.325 70 20 ECID CCC(=O)N1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1012107291 HPAMKOVWVLWPEI-DTWKUNHWSA-N 331.369 0.802 70 20 ECID CC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1026067470 OCKCPJFCGCRGSV-SUZMYJTESA-N 343.380 0.802 70 20 ECID CCOC(=O)CN(C)C(=O)CN1CCC([C@H](O)C(F)(F)F)CC1 161401096 RBLHIAIMORYBDK-ZDUSSCGKSA-N 340.342 0.643 70 20 ECID Cn1c(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)cccc1=O 160531558 BILTWOQBAXXJMS-UHFFFAOYSA-N 334.397 0.860 70 20 ECID CCCC1(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 160713296 GVBAGNXEHACJGM-STQMWFEESA-N 342.461 0.719 70 20 ECID CN(C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@H]1CCCc2c1cnn2C 159658217 CMCCRWYYQDITSP-VHRBIJSZSA-N 335.408 0.472 70 20 ECID O=S(=O)(NCc1ccccc1CO)c1cccc(-n2cnnn2)c1 159774367 MEMISHWYFNWLJJ-UHFFFAOYSA-N 345.384 0.633 70 20 ECID C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938851061 TWMTWAPFNCNYEK-WCABBAIRSA-N 343.380 0.660 70 20 ECID Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)CC2 1263791475 VYOAMQOZIZEEPP-LURJTMIESA-N 344.393 0.999 70 20 ECID Cc1nc(CC(C)C)c(NC(=O)C(=O)NCC(=O)NC2CC2)s1 161163196 PJUHKYQXBYAZQJ-UHFFFAOYSA-N 338.433 0.983 70 20 ECID COCCN(C)CCCNC(=O)c1ccc(CS(C)(=O)=O)o1 160148850 IQSIWVNVLGKBMC-UHFFFAOYSA-N 332.422 0.522 70 20 ECID Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@H]3CN)C2=O)cc1 160159758 NVFIVHLDEWWHKF-KBXCAEBGSA-N 344.415 0.712 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N(CCN(C)C)C(C)C)CC2 159615020 LYSWHOUIZBIVHK-CYBMUJFWSA-N 338.456 0.721 70 20 ECID CC[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 159704537 RWVLZKFZVOIRKH-MDZLAQPJSA-N 328.438 0.782 70 20 ECID CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)nn1 159742570 SWEICMBBNGNJSE-GFCCVEGCSA-N 335.408 0.588 70 20 ECID C[C@H](O)CNC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 997015565 VAZLNBLXZMMSOZ-VIFPVBQESA-N 333.385 0.248 70 20 ECID C[C@@H]1Cc2cc(S(=O)(=O)NC[C@](C)(O)CN(C)C)ccc2O1 161483814 RXSMIYWVKKYMEK-ABAIWWIYSA-N 328.434 0.601 70 20 ECID CC(C)n1nccc1C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 160887378 YDTWIWBKNMEFHX-CYBMUJFWSA-N 333.436 0.889 70 20 ECID CC1(C)CN(C(=O)c2cccc(-n3cncn3)c2)CCS1(=O)=O 159891985 HWFCGMYBZICRFR-UHFFFAOYSA-N 334.401 0.917 70 20 ECID C[C@@H]1CCNC(=O)[C@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337578163 QSOCGSHEHCITAT-RNCFNFMXSA-N 328.365 0.528 70 20 ECID O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(S(=O)(=O)F)c[nH]1 1346381215 LKDUYOPMENQZMY-ZJUUUORDSA-N 331.369 0.266 70 20 ECID CC(C)CN1CCCC[C@@H]1CNC(=O)N1CCO[C@H](C(N)=O)C1 161012595 FAVVFKBROSBEQX-KGLIPLIRSA-N 326.441 0.393 70 20 ECID CCC[C@](C)(CO)NC(=O)N[C@H]1CCc2nc(COC)nn2C1 160689120 SPLQDLIXKJMJHU-XHDPSFHLSA-N 325.413 0.590 70 20 ECID O=C(c1ccc(O)cc1)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1 159688009 KLGHDHGLNRTKIA-UHFFFAOYSA-N 327.340 0.679 70 20 ECID CCn1cc(S(=O)(=O)NC[C@@H](O)c2ccc(OC)cc2)cn1 159500642 GGLITRFPGCJRME-CQSZACIVSA-N 325.390 0.924 70 20 ECID C[C@@H](CN1CCOCC1)NC(=O)Nc1ccnn1C[C@H]1CCOC1 159380346 YUALAGKRCJAHCL-UONOGXRCSA-N 337.424 0.762 70 20 ECID CC#CCN1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1003642483 BKJVSXRMZMJNGS-UHFFFAOYSA-N 327.381 0.890 70 20 ECID COCCN(CC(=O)OC)C(=O)c1ccc(S(=O)(=O)F)cc1 864239591 LWGXFAPEHUQUBN-UHFFFAOYSA-N 333.337 0.606 70 20 ECID CC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 946316761 IEMZWHASEPVQCI-GXSJLCMTSA-N 331.369 0.708 70 20 ECID CCC(=O)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 940341829 XZIRBDZBHGXHOH-LDYMZIIASA-N 331.369 0.660 70 20 ECID CO[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1032634106 JHRPTEQXKWXHJN-DCAQKATOSA-N 345.396 0.607 70 20 ECID C#CCN[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C12CCC2 1078729133 UFTHDWMZROPARB-QWHCGFSZSA-N 339.392 0.937 70 20 ECID O=C(NCCC1(CNCCCO)CC1)c1cc(S(=O)(=O)F)c[nH]1 1167258207 SGHZNCTUNQZQDK-UHFFFAOYSA-N 347.412 0.545 70 20 ECID CS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)F)ccc1Cl 1338125036 OJRLTZVKJQRYTG-UHFFFAOYSA-N 343.785 0.773 70 20 ECID CCn1[nH]c(C)nc1=NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337607407 SMXUTGWLIPVAGV-UHFFFAOYSA-N 326.353 0.868 70 20 ECID O=C1CC2(CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)CN1 1263756095 FEUFIHCDQMWTFE-UHFFFAOYSA-N 329.353 0.415 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H](C2OCCO2)C1 1263716851 OVAVGKCWXBSTQM-SECBINFHSA-N 332.353 0.898 70 20 ECID CC(C)OC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1346318177 FHDHXSJIOOMWTD-JTQLQIEISA-N 334.369 0.939 70 20 ECID C[C@@H](CNCc1ccon1)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1753631636 XCMQBPJOVWTBDP-VIFPVBQESA-N 344.368 0.817 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N(C)CCOCC1CC1)CC2 160846401 QCBIVDHQZQAOKJ-CYBMUJFWSA-N 337.424 0.807 70 20 ECID Cn1cc(S(=O)(=O)N(CCS(C)(=O)=O)C2CC2)nc1Cl 159597620 FMLDZXLBNNLGHX-UHFFFAOYSA-N 341.842 0.271 70 20 ECID Cn1c(=O)oc2c(C(=O)NCc3nnc4n3CCCC4)cccc21 159995572 MWRSTIGHHNGQNV-UHFFFAOYSA-N 327.344 0.989 70 20 ECID CN(CCO)C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1158479992 FNPHPMBEGKCMID-LLVKDONJSA-N 347.412 0.592 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)NC[C@@H]1CCCS1(=O)=O 1338833584 HWNJVRFLLSWXLZ-NSHDSACASA-N 349.405 0.960 70 20 ECID O=C1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)N1 160413528 MZRQXGNUCVNABF-GJZGRUSLSA-N 329.400 0.615 70 20 ECID O=C(CNC(=O)[C@@H]1CCn2ccnc2C1)NCCc1ccccc1 160989527 QNNQXNVSTMQQBP-OAHLLOKOSA-N 326.400 0.921 70 20 ECID CNS(=O)(=O)[C@H]1CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)C1 159609153 UUOOZNAOODLNPZ-LBPRGKRZSA-N 335.389 0.235 70 20 ECID CNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(-n2c(C)c[nH]c2=O)cc1 159853966 URWUAKXKKHRWSP-NEPJUHHUSA-N 345.403 0.969 70 20 ECID CSC[C@@](C)(O)CNC(=O)c1ccc(NS(C)(=O)=O)cc1 217687925 KSQDYNVFRGLSKI-ZDUSSCGKSA-N 332.447 0.902 70 20 ECID CO[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 938844810 QMMDUZPADNPSOT-IUCAKERBSA-N 347.368 0.039 70 20 ECID CC(C)(F)C(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 937604821 XYCGKJGUYKEOLO-QMMMGPOBSA-N 349.359 0.752 70 20 ECID CN(CCOCCN)C(F)(F)COS(=O)(=O)C(F)(F)F 863557741 QJZWHNVFXGAGJR-UHFFFAOYSA-N 330.275 0.353 70 20 ECID COCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 947726852 TXKAFHKYMKIMNM-MNOVXSKESA-N 347.412 0.902 70 20 ECID Cc1nccc(N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)n1 160892401 QXXXFDHKQBVKNT-AWEZNQCLSA-N 327.388 0.800 70 20 ECID COCCNC(=O)CN1CCN(C(=O)c2cccc(C)c2F)CC1 159823959 PAFKRRALJSSZTC-UHFFFAOYSA-N 337.395 0.655 70 20 ECID O=C(CNS(=O)(=O)c1cccs1)NC[C@@H](O)c1ccsc1 159510472 FSRDTGRYDPRDNX-SNVBAGLBSA-N 346.455 0.938 70 20 ECID C[C@@H]1C[C@H](NC(=O)C2CC2)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1014071854 LVNCICJYUGUYAY-SCZZXKLOSA-N 343.380 0.802 70 20 ECID Cn1cc(N2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)cn1 1338389015 FLWUVLDUSDWHKM-UHFFFAOYSA-N 341.368 0.369 70 20 ECID O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc(S(=O)(=O)F)c[nH]1 1347082446 HVZOAQNKTCKMED-LLVKDONJSA-N 345.396 0.656 70 20 ECID CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C 161392129 ZBWBESMRYKYSLR-XJFOESAGSA-N 333.498 0.795 70 20 ECID CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccc(F)c(F)c1F 161447959 GNEKUQIEOCKWSB-GFCCVEGCSA-N 326.340 0.695 70 20 ECID COC(CN1CCN(C(=O)COc2ccc(F)cc2)CC1)OC 160558473 YMYIZOLVCYSPQO-UHFFFAOYSA-N 326.368 0.968 70 20 ECID CCC(CC)[C@@H](O)CNC(=O)N[C@@H]1CCc2nc(COC)nn2C1 160646402 UBHIPJLFGFHVGY-OLZOCXBDSA-N 339.440 0.836 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1n[nH]c2c1CCC2 160699237 FXQFWIHXFAHPHU-ONGXEEELSA-N 326.422 0.346 70 20 ECID CN(CCN1CCOCC1)C(=O)Nc1ccnn1C[C@H]1CCOC1 159644142 PQROKUUTWLSTSO-CQSZACIVSA-N 337.424 0.716 70 20 ECID CC(C)[C@H]1CN(C)CCN1C(=O)NCC(C)(C)NS(C)(=O)=O 159525965 ODIWDOYPOBXSSV-GFCCVEGCSA-N 334.486 0.296 70 20 ECID CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)[C@H](C#N)C1 460088985 CXCIKXOZNSBIKD-SNVBAGLBSA-N 347.393 0.173 70 20 ECID C/C=C(\C)C(=O)N1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 952164063 KYQFOEOJFDCUON-RZCNENHTSA-N 343.380 0.970 70 20 ECID CC1(C)CO[C@@H](CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1133980772 AKGNGPWMTDJZKS-SNVBAGLBSA-N 347.412 0.807 70 20 ECID CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ccncc2)CC1 161231978 KCSJQTTUGVFQOH-CQSZACIVSA-N 333.436 0.822 70 20 ECID COC(=O)[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)F)cc1 864239806 PLQBFZYLGOXQFI-NSHDSACASA-N 331.321 0.359 70 20 ECID N#CCN1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC[C@@H]21 1036823477 IFFPYNNGKQKXLC-MFKMUULPSA-N 340.380 0.733 70 20 ECID COCC#CCN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1185730687 FTYODLQEWKLCBA-LLVKDONJSA-N 343.380 0.127 70 20 ECID CN1CC[C@H](NC(=O)CCc2ccc(S(=O)(=O)F)cc2)C1=O 1518009227 NUYLEXCDXPVXHT-LBPRGKRZSA-N 328.365 0.624 70 20 ECID COC[C@](C)(CC(=O)O)NC(=O)c1ccc(S(=O)(=O)F)cc1 1599149802 ICZILZARPYXKSS-ZDUSSCGKSA-N 333.337 0.954 70 20 ECID NC(=O)[C@H]1CC[C@@H](CNC(=O)c2c[nH]nc2-c2ccccc2F)O1 161399892 YFMDHAJRLJBVLD-TVQRCGJNSA-N 332.335 0.979 70 20 ECID CC(C)[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)N1CCCC1=O 160164583 MXCKWXBMSJMVJR-ZBFHGGJFSA-N 325.453 0.596 70 20 ECID CS(=O)(=O)CCOCCNC(=O)N1CCc2cccc(F)c2C1 159408078 XXIYOUWSESBRNH-UHFFFAOYSA-N 344.408 0.955 70 20 ECID CC(C)(C)N1C[C@H](NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1=O 159560016 NQDSNJHGPYEIPW-CHWSQXEVSA-N 336.436 0.838 70 20 ECID C[C@@H]1CN(C(=O)C2CC2)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 940341513 OOLNUEXVHHRFAM-PRHODGIISA-N 343.380 0.660 70 20 ECID N#CCNC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1317192839 QOVADPJNNIFVRH-SNVBAGLBSA-N 328.369 0.781 70 20 ECID CN(C)C(=O)Cn1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1262732413 GUGRYZMSNDFRMT-UHFFFAOYSA-N 343.340 0.210 70 20 ECID CNC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 161055174 WHGONEQDICMVEP-AWEZNQCLSA-N 337.445 0.968 70 20 ECID CN(C)C(=O)C1(CNC(=O)N2C[C@H]3[C@@H](C2)OCCN3C)CCCC1 160505508 PHMFWEPXNQNHFI-UONOGXRCSA-N 338.452 0.359 70 20 ECID CN(CCOCc1ccccc1)C(=O)C(C)(C)NS(C)(=O)=O 159491396 PWCNBPFQGLXDIL-UHFFFAOYSA-N 328.434 0.989 70 20 ECID C#CCCN1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141022 CORYZWMMYJOUJI-NSHDSACASA-N 327.381 0.890 70 20 ECID C#CCN1CCC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1001835956 FOTDFNLUTPRITE-UHFFFAOYSA-N 327.381 0.748 70 20 ECID CC(C)(CNC(=O)c1ccc(S(=O)(=O)F)cc1)S(C)(=O)=O 864243061 YWAAVEFBNZOPPL-UHFFFAOYSA-N 337.394 0.898 70 20 ECID CC1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN(CC#N)CC1 1045559227 YBHCRXVBCYWIFO-UHFFFAOYSA-N 328.369 0.781 70 20 ECID C=C(C)CN1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 961785456 DPTXVOZLGZUQRX-QWRGUYRKSA-N 327.381 0.909 70 20 ECID CNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3OCCC[C@H]3C2)co1 160342886 XCGWTLUDVHPLGO-CMPLNLGQSA-N 328.390 0.829 70 20 ECID O=C(NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@]1(F)CCNC1 160435426 BATOYAMTMCAHSH-IAQYHMDHSA-N 344.770 0.962 70 20 ECID O=C(OC[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)F)cc1 490535802 DRTALCQQSZFZDT-SECBINFHSA-N 336.362 0.936 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1[C@H]2CC[C@H]1CN(CCF)C2 1017959255 QPTOYKDOOWVQLS-UWVGGRQHSA-N 333.360 0.931 70 20 ECID COC[C@@H](C)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1015719472 NTZFKXQMNXXLEK-NXEZZACHSA-N 333.385 0.512 70 20 ECID CCNC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1OCC 1087084699 OXNZBLCSGCNJCT-ZWNOBZJWSA-N 347.412 0.760 70 20 ECID C#CCNC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1185167666 DDKFPOMTVGRFAI-NWDGAFQWSA-N 341.408 0.994 70 20 ECID CN(CCCO)C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1753355185 FRRCBUMOJNFOAW-NSHDSACASA-N 347.412 0.449 70 20 ECID O=S(=O)(CCCF)NC[C@H](O)COc1ccc(F)c(F)c1 161272465 KNTXFXVWZJJLIA-VIFPVBQESA-N 327.324 0.984 70 20 ECID C[C@@H](CN1CCOCC1)NC(=O)N1CCCN(CC(F)F)CC1 160326542 CCHSBWQPYHGDAN-ZDUSSCGKSA-N 334.411 0.690 70 20 ECID Cc1conc1NC(=O)C(=O)N1CCN(C(=O)c2cccs2)CC1 160343101 TXHXQESBCHEVGT-UHFFFAOYSA-N 348.384 0.968 70 20 ECID O=C(Cc1ccncc1)NNC(=O)c1ccc(S(=O)(=O)F)cc1 865208609 POBPZVUTRHDPAQ-UHFFFAOYSA-N 337.332 0.744 70 20 ECID C[C@@H]1CN(CCCO)CC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 942861268 WQRUIDRQYIZBGY-ZYHUDNBSSA-N 347.412 0.496 70 20 ECID Cc1cncc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1 1133976696 QKDHRLBCUQHHQL-UHFFFAOYSA-N 340.380 0.896 70 20 ECID Cc1cc(C)nc(NCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1094126726 URMLXTJEZMLCCX-UHFFFAOYSA-N 341.368 0.922 70 20 ECID COCCN(CC(=O)OC)C(=O)Cc1ccc(S(=O)(=O)F)cc1 1349076400 KDBNZWJSBRWXHV-UHFFFAOYSA-N 347.364 0.535 70 20 ECID C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(Cc2ccncc2)CC1 161181299 IBGARUVESHOCQE-DOTOQJQBSA-N 332.448 0.883 70 20 ECID CCN1CCN([C@H]2CCN(C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)CC1 160733512 KYQWRXGLTHODFZ-MSOLQXFVSA-N 349.523 0.892 70 20 ECID O=C(NCCCn1nc2n(c1=O)CCCC2)[C@@H](O)c1ccccc1 159947906 MHVJFRRYDQPXCU-HNNXBMFYSA-N 330.388 0.621 70 20 ECID CC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1017882021 DGQISELAPCKAQD-PSASIEDQSA-N 331.369 0.802 70 20 ECID CCOC[C@@H](C(=O)OC)N(C)C(=O)c1ccc(S(=O)(=O)F)cc1 864242663 PRDOZMGNQVSQLR-LBPRGKRZSA-N 347.364 0.995 70 20 ECID COCCN(CCC(=O)OC)C(=O)c1ccc(S(=O)(=O)F)cc1 888968783 VYZYQIVTNBNFQJ-UHFFFAOYSA-N 347.364 0.997 70 20 ECID Cn1nncc1CNC(=O)CCc1ccc(S(=O)(=O)F)cc1 1121215929 SVJLTAFGYFJYEX-UHFFFAOYSA-N 326.353 0.722 70 20 ECID COCCCNC1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1202531487 HRWVUEFAALKQIW-UHFFFAOYSA-N 347.412 0.904 70 20 ECID C[C@H](O)CN1CC([C@@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970423311 JDPXOKMMYGAIJL-DTWKUNHWSA-N 333.385 0.104 70 20 ECID C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)N1CCCCC1=O 1351577647 FKHDOTGRNCEISL-SECBINFHSA-N 331.369 0.804 70 20 ECID CCC[C@@H](O)CNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 160414221 OOUKFXIVJRMKIT-OAHLLOKOSA-N 348.447 0.788 70 20 ECID CN(CC(=O)NC[C@H]1CCCN1S(C)(=O)=O)Cc1ccccc1 160535240 IZCDBYGOFYVTPR-OAHLLOKOSA-N 339.461 0.659 70 20 ECID Cc1ccc(N2CC[C@H](NC(=O)CNC[C@@H]3CCCO3)C2=O)cc1 160924168 CICYLZFKQJGSCR-HOTGVXAUSA-N 331.416 0.985 70 20 ECID COC(=O)C[C@H]1C(=O)NCCN1Cc1ncccc1C(F)(F)F 159792602 LIFBVJUAZOTKAK-NSHDSACASA-N 331.294 0.964 70 20 ECID Cc1ccc(C(=O)NCC(=O)N2CCNCC2)c(Br)c1 161224071 SNNZZEGGOFJLEF-UHFFFAOYSA-N 340.221 0.919 70 20 ECID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1COc2ccccc21 160615439 RTTKASCHOANCGU-MRVWCRGKSA-N 338.429 0.997 70 20 ECID CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@H]1CCN(C(C)=O)C1 159551141 NKIHMLVYCPWHGS-SNPRPXQTSA-N 338.452 0.944 70 20 ECID O=C(NCc1nc2ncccn2n1)c1ccc(S(=O)(=O)F)cc1 864244510 ZETDCNZCKAJGQV-UHFFFAOYSA-N 335.320 0.713 70 20 ECID CCS(=O)(=O)C[C@H](C)NC(=O)c1cccc(S(=O)(=O)F)c1 1338390782 SVLZTPFZGPWACT-VIFPVBQESA-N 337.394 0.898 70 20 ECID COC[C@H](C)N(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192399052 UXTWGDGJGSIDFD-QWRGUYRKSA-N 347.412 0.854 70 20 ECID O=C(Cc1ccc(S(=O)(=O)F)cc1)N[C@]1(C(=O)O)CCOC1 1594707589 LFGVRDAGALSPOS-CYBMUJFWSA-N 331.321 0.247 70 20 ECID CN1CCN(CCCNC(=O)CCCNC(=O)c2cccnc2)CC1 161174921 CWMHNLYWPZVWRW-UHFFFAOYSA-N 347.463 0.345 70 20 ECID CNC[C@H]1CCCN1C(=O)CCn1[nH]c(=O)c2ccccc2c1=O 161254177 MALOGZQJYCPWRH-GFCCVEGCSA-N 330.388 0.290 70 20 ECID CCN1CCCN(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 159924561 MHUMXKUERVLOJO-CQSZACIVSA-N 348.451 0.571 70 20 ECID CC(C)C(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 946716601 NEPGRIHFKOPPPK-XXILOJSOSA-N 343.380 0.658 70 20 ECID CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 966030296 XZIRBDZBHGXHOH-KCJUWKMLSA-N 331.369 0.660 70 20 ECID C[C@](Cn1cccn1)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)O 1592924642 JVZZDCMUDXCWDA-GFCCVEGCSA-N 344.324 0.143 70 20 ECID O=C1CNCCN1CC(=O)N1CC[C@H](COCc2ccccc2)C1 161329425 XPFPTUIYHNDVBB-INIZCTEOSA-N 331.416 0.484 70 20 ECID CN(C)S(=O)(=O)c1ccc2c(c1)N(CCS(=O)(=O)F)CC2 883954648 VGLNTAIAGZYJAC-UHFFFAOYSA-N 336.410 0.599 70 20 ECID Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1CC=CC1 161008372 FOTZFLOGMVDALM-JTQLQIEISA-N 326.422 0.539 70 20 ECID CN[C@@H]1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1 160503565 DKAZLSDFZYTLKP-MRXNPFEDSA-N 330.432 0.965 70 20 ECID CN1N=C(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)CCC1=O 160642919 MOXBZTXRHFYEGO-HUUCEWRRSA-N 336.436 0.479 70 20 ECID CN1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)C[C@@H]21 159708692 VFXUFABZZZVUCV-KBPBESRZSA-N 339.342 0.236 70 20 ECID CN(CC(=O)NCC(=O)N1CCCC1)Cc1cccc(N(C)C)c1 159768299 RNMSGNTVWHKHJK-UHFFFAOYSA-N 332.448 0.923 70 20 ECID O=C(NC[C@H]1CCCN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1023590860 IFOBWLSLRIYQCA-SNVBAGLBSA-N 333.385 0.107 70 20 ECID C/C=C(\C)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999954907 XGXYXXSVBGSBJI-FPYGCLRLSA-N 329.353 0.580 70 20 ECID C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)F)cc1C 1337476972 JOPLDQSLQWLTHE-UHFFFAOYSA-N 349.405 0.984 70 20 ECID Cc1cc(S(=O)(=O)F)ccc1C(=O)N[C@@]1(C(=O)O)CCOC1 1605219551 DSQBJCLEQPRUCQ-ZDUSSCGKSA-N 331.321 0.627 70 20 ECID C#CCCNC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1 1754451898 RSZOWXIPFUXGFL-ZDUSSCGKSA-N 327.381 0.794 70 20 ECID CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 160401333 LPPVBMZBRIHWGH-SNVBAGLBSA-N 341.209 0.993 70 20 ECID CCCCN(CCO)C(=O)N[C@H]1CCc2nc(COC)nn2C1 160620036 ILUBNOMNTPQSNS-LBPRGKRZSA-N 325.413 0.543 70 20 ECID CCN1CC[C@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@H](C)C1 160974939 NJAXCSVTOCWUOY-CJNGLKHVSA-N 332.448 0.722 70 20 ECID O=S(=O)(NC[C@H](O)COc1ccc(F)cc1)c1cccnc1 159985728 UEMKSJYCDPNJDW-LBPRGKRZSA-N 326.349 0.939 70 20 ECID CCC(=O)NC1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1017048033 RHIOBFYQIWTSNI-UHFFFAOYSA-N 331.369 0.802 70 20 ECID O=C(O)CCNC(=O)COC(=O)c1ccc(S(=O)(=O)F)cc1 1610774204 YJJWCQVWFALZIG-UHFFFAOYSA-N 333.293 0.093 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(OC2CNC2)CC1 1580812214 RYKTYTOKMPUQKM-UHFFFAOYSA-N 331.369 0.266 70 20 ECID O=C(N[C@@H]1CCC[C@@H]1CNCCO)c1cc(S(=O)(=O)F)c[nH]1 1753893635 KQDHWRPLZIJQAB-MWLCHTKSSA-N 333.385 0.153 70 20 ECID COc1ccccc1N1CC[C@H](NC(=O)c2ccn(C)c(=O)c2)C1=O 161336617 PCFHIDSXRVJHAI-ZDUSSCGKSA-N 341.367 0.929 70 20 ECID CCC[C@@H]1CN(C(=O)NCCCNC(C)=O)CCN1CCOC 160402269 KUOBKHIGVUGLLW-OAHLLOKOSA-N 328.457 0.655 70 20 ECID Cn1cnnc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 160682209 MOBLGEJGIVJEFB-UHFFFAOYSA-N 339.396 0.461 70 20 ECID COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccccn1 1348406741 WQHCMMGNEPASFF-LLVKDONJSA-N 341.320 0.712 70 20 ECID COC(=O)[C@H]1CC(F)(F)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263866190 GHLLHRZAYAGBIC-MRVPVSSYSA-N 340.279 0.696 70 20 ECID O=C(C[C@@H]1CCCN1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 160980380 NKGRGRJKFOGZLN-LSDHHAIUSA-N 331.416 0.925 70 20 ECID CCC(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 1009539689 UOUMKVHGJWBFAS-RTCCRHLQSA-N 343.380 0.517 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1602623970 QHOYDASIWMCJAE-ISVAXAHUSA-N 346.336 0.236 70 20 ECID CCCCn1c(N)c(N(C)CCCCS(C)(=O)=O)c(=O)[nH]c1=O 161314501 MXXVBSXPMVXKDE-UHFFFAOYSA-N 346.453 0.180 70 20 ECID C[C@@H]1C(=O)NCCN1C(=O)NCCc1nnc(-c2ccccc2)o1 160000790 ZLRGQOOEYWQORZ-LLVKDONJSA-N 329.360 0.809 70 20 ECID CN(C)c1cc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)ccn1 160469103 VYKLGFADMMGGMA-QWHCGFSZSA-N 340.449 0.595 70 20 ECID CS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1 160478589 BLKIYTNBFLTFJF-CQSZACIVSA-N 340.445 0.667 70 20 ECID CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H]2CCCN(C(C)C)C2)C1 159445633 PXTVGIMQWVBZHX-KBPBESRZSA-N 346.497 0.440 70 20 ECID CN(C)C(=O)O[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1517975293 MFVOAMRPWJGZOA-QMMMGPOBSA-N 333.341 0.586 70 20 ECID NS(=O)(=O)c1ccc(CNC(=O)c2ccc(O)cc2O)s1 217488513 BFJXOZKXTGWIDD-UHFFFAOYSA-N 328.371 0.737 70 20 ECID CO[C@@H](C)CN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1008547744 QQBXWQONUMUTCN-QWRGUYRKSA-N 347.412 0.902 70 20 ECID CNC[C@@H]1CCN(C(F)(F)COS(=O)(=O)C(F)(F)F)C1 852741617 WXLPELQGNWCWAH-ZETCQYMHSA-N 326.287 0.987 70 20 ECID COC[C@@H](C)N1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1028141091 FWHSLNRCIGTWNH-GHMZBOCLSA-N 347.412 0.902 70 20 ECID C[C@H]1CCN(CCO)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 968333872 ARELUNKAJYLNGY-JOYOIKCWSA-N 333.385 0.105 70 20 ECID C[C@@H]1[C@H](NC(=O)Cc2ccc(S(=O)(=O)F)cc2)CCS1(=O)=O 1337492341 OLPYVPDOKWHQDB-BXKDBHETSA-N 349.405 0.579 70 20 ECID C[C@@H]1CN(C)C(=O)CN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1349596127 UBTOTVLUIJTMKN-SNVBAGLBSA-N 328.365 0.576 70 20 ECID Cc1nc(CC(C)C)c(NC(=O)C(=O)NC[C@@H](O)CN(C)C)s1 161318550 HMXJLAFIASZASU-LLVKDONJSA-N 342.465 0.627 70 20 ECID CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 161406673 XRDJCIHKIJNRGR-OAHLLOKOSA-N 347.463 0.458 70 20 ECID CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCCNC1)CC2 160029906 KLXAHSWSBAFLBH-CYBMUJFWSA-N 337.445 0.826 70 20 ECID CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3c[nH]c(=O)c(C)c3)ccc21 159701024 AQDJHALRIKIFBE-UHFFFAOYSA-N 340.339 0.959 70 20 ECID Cn1cc(S(=O)(=O)NC[C@H](O)COc2ccc(F)cc2)cn1 159962068 KPDYAMLRGDXYTE-NSHDSACASA-N 329.353 0.277 70 20 ECID O=C(N[C@H]1CCCN(CCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1008548014 RQDFILNUDJONOA-JTQLQIEISA-N 333.385 0.250 70 20 ECID O=C(Nc1ccc(S(=O)(=O)F)c(F)c1)[C@@H]1CCCS1(=O)=O 857672521 CNNFOJYPSKTEOA-JTQLQIEISA-N 339.341 1.000 70 20 ECID C#CCNCC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C 1104692466 BMFUUBUKWJCWCB-VXGBXAGGSA-N 341.408 0.994 70 20 ECID O=C(N[C@@H]1CCC[C@@H](NCCO)C1)c1cc(S(=O)(=O)F)c[nH]1 981340899 PZGKMGIQJXPGQT-NXEZZACHSA-N 333.385 0.296 70 20 ECID O=C(NC1CN(C(=O)/C=C\C2CC2)C1)c1cc(S(=O)(=O)F)c[nH]1 999955011 ZEDJEHIFRRRLFG-ARJAWSKDSA-N 341.364 0.580 70 20 ECID COCC#CCN[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1752761171 HEIMBGNNCHQOQB-PHIMTYICSA-N 343.380 0.173 70 20 ECID COC[C@H](O)CCNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 161341174 QOXQNARCCNXRBN-HZPDHXFCSA-N 334.416 0.734 70 20 ECID Cc1cc(S(N)(=O)=O)cc(C(=O)NC[C@@H]2CCN(C)C2)c1C 160107351 COZSTCRYQCBQCQ-LBPRGKRZSA-N 325.434 0.632 70 20 ECID CSC[C@](C)(O)CNC(=O)NCCCCN1CCN(C)CC1 160433877 ZUWGDSSCIFDYCY-OAHLLOKOSA-N 332.514 0.427 70 20 ECID CC(C)(C)NC(=O)CNC(=O)COc1cccc(-n2cncn2)c1 160889411 PPXVBJCVSYDONZ-UHFFFAOYSA-N 331.376 0.677 70 20 ECID CC[C@H](F)C(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 942442717 YKUZFJKQDLMWMR-SCZZXKLOSA-N 349.359 0.752 70 20 ECID O=C(N[C@H](C[C@@H]1CCCO1)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601410388 ZBMBQYAJPHGVOY-OIBJUYFYSA-N 334.325 0.425 70 20 ECID CC(C)C[C@@H](CO)NC(=O)CSc1nnnn1CC(F)(F)F 161243003 KYBVJIDNOARION-QMMMGPOBSA-N 341.359 0.851 70 20 ECID CC[C@H](O)CCNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 161281568 NASRXLKBSGOOKI-HNNXBMFYSA-N 348.447 0.788 70 20 ECID CCN(CC)S(=O)(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 161285988 CQKLFBIPSNXXJN-SNVBAGLBSA-N 338.376 0.881 70 20 ECID CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[C@@H](N)C3)cc(C3CC3)nc21 160209989 HGTLASACBISXKX-SNVBAGLBSA-N 343.387 0.155 70 20 ECID CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cn[nH]c2C1 160475405 POBJNIATUAEGOG-MDZLAQPJSA-N 340.449 0.349 70 20 ECID Cc1conc1NC(=O)C(=O)NCCNC(=O)c1ccc(F)cc1 160723030 FLGBPDDXHJZUJN-UHFFFAOYSA-N 334.307 0.607 70 20 ECID CN(CC(=O)NC[C@H]1CCN(c2ccccc2)C1)CC(C)(CO)CO 159545351 JCFPPLZLRBJDOT-MRXNPFEDSA-N 349.475 0.552 70 20 ECID CC(=O)N1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C 1009903357 HROQUFHCLJSKJY-WPRPVWTQSA-N 331.369 0.660 70 20 ECID CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)F)cc1 838088158 OTZZLNQNLBWPRR-MRVPVSSYSA-N 346.336 0.736 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@H]([C@H]2CCCO2)C1 1123648565 MFVQNVQBONIEEH-NEPJUHHUSA-N 332.353 0.693 70 20 ECID CC[C@](COC)(NC(=O)c1cccc(S(=O)(=O)F)c1)C(=O)O 1605051834 BFQUFPKFJQFZPQ-CYBMUJFWSA-N 333.337 0.954 70 20 ECID CC(C)(C)OC(=O)NC1CCC(NCCNS(C)(=O)=O)CC1 218093069 XQHCAIYCAPGWGX-UHFFFAOYSA-N 335.470 0.961 70 20 ECID N[C@@H]1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)C1 160228877 GYTJKLCGBBYXPW-ZHAHRWAOSA-N 335.429 0.700 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H](N(C)C)C1)CC2 160724647 XEJKNRXRGSUALC-OLZOCXBDSA-N 336.440 0.475 70 20 ECID C[C@@H](O)CN1CCCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1034404401 RJGUJAOVKWVISO-GHMZBOCLSA-N 347.412 0.638 70 20 ECID Cc1ncc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1 1133981319 MTPRPTPZAUGRSL-UHFFFAOYSA-N 341.368 0.291 70 20 ECID Cc1cnc(CNCCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1 1133981276 LBKBSYGUDAXIDF-UHFFFAOYSA-N 341.368 0.291 70 20 ECID CC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1 979548087 HHMCARATSBJWTD-DLOVCJGASA-N 343.380 0.660 70 20 ECID CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1346291355 RVHSNUWXFSXURK-LLVKDONJSA-N 347.412 0.856 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CCCN(C(=O)C2CC2)C1 160119213 MFRFYBMZXNLHDO-JKSUJKDBSA-N 337.464 0.598 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1ccc(-n2ccnc2)nc1 160190743 ZKTYBNUWMQKNSQ-OAHLLOKOSA-N 329.404 0.844 70 20 ECID COCC(=O)N1CCN(S(=O)(=O)Cc2c(F)cccc2F)CC1 160743809 LPTFUYWLDQUYPC-UHFFFAOYSA-N 348.371 0.585 70 20 ECID C[C@H](Cn1cncn1)NC(=O)c1cccc(C(=O)N2CCCC2)n1 160856749 AIHUMEIIFUYFEC-GFCCVEGCSA-N 328.376 0.728 70 20 ECID NC(=O)[C@H]1CC[C@@H](CNC(=O)[C@H]2CCCN2Cc2ccccc2)O1 160912618 NTZHLLMIMGZEOG-ARFHVFGLSA-N 331.416 0.800 70 20 ECID CC(=O)N[C@@H]1CCCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 943013428 QQWFOKKNIQMYNV-SNVBAGLBSA-N 331.369 0.804 70 20 ECID O=c1c(Br)cc([N+](=O)[O-])cn1CCS(=O)(=O)F 883953537 ZHUUETQGDBMIQI-UHFFFAOYSA-N 329.103 0.818 70 20 ECID COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@](C)(O)c1ccco1)CC2 160649847 AIDUPFCJKGXMBL-BDJLRTHQSA-N 349.391 0.539 70 20 ECID CN(C)C(=O)c1ccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)[nH]1 160977884 JAMCQEMPNLCDDG-OAHLLOKOSA-N 334.420 0.540 70 20 ECID CNC(=O)[C@H](NC(=O)CN(C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 159480606 XEKFQTFWJJGVTM-YQQAZPJKSA-N 333.432 0.683 70 20 ECID N#CCN1CC=C(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1001156076 HRUAHGNNTAQARV-UHFFFAOYSA-N 326.353 0.558 70 20 ECID N#CCN1CCC2(CC1)C[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1016824707 CMGBGYROCDHTEG-GFCCVEGCSA-N 340.380 0.781 70 20 ECID C[C@H]1OCC[C@@]12CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)CCO2 1262788072 RPJCROWTLCPNMQ-NOZJJQNGSA-N 332.353 0.693 70 20 ECID COC[C@H](O)CCNC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 161097077 HLCILZDBJIZNDV-IAGOWNOFSA-N 335.448 0.489 70 20 ECID CNC[C@H]1CCCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 161195087 BXIKBDUYNBGMQL-CXAGYDPISA-N 330.388 0.565 70 20 ECID CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)c1 160348477 XXVHZBDIWBTQGN-OKILXGFUSA-N 337.445 0.951 70 20 ECID Cn1c(Cl)cnc1CN1CCC(N2CCC[C@H]2C(N)=O)CC1 159404454 XNTOOXDETDGYIN-LBPRGKRZSA-N 325.844 0.988 70 20 ECID C[C@H](C(=O)Nc1ccc(S(=O)(=O)F)cc1)N1C(=O)CCC1=O 460089285 FOTBIISWAJNARR-MRVPVSSYSA-N 328.321 0.821 70 20 ECID C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1047529467 CKSZYZQBLGKNTC-STQMWFEESA-N 345.396 0.366 70 20 ECID CCCN1CC2(C[C@@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)CO2)C1 1053926490 HFSLWNBCLMYKJZ-SNVBAGLBSA-N 345.396 0.656 70 20 ECID O=C(Nc1ccc(-n2cncn2)cn1)c1cc(S(=O)(=O)F)c[nH]1 1338945414 YFKBXGOHGUMLSB-UHFFFAOYSA-N 336.308 0.901 70 20 ECID C[C@H]1CCNC(=O)[C@@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337578164 QSOCGSHEHCITAT-TVQRCGJNSA-N 328.365 0.528 70 20 ECID CNC(=O)C1CCN(C(=O)Cc2ccc(S(=O)(=O)F)cc2)CC1 1338279327 GISMAZMSIGPIMJ-UHFFFAOYSA-N 342.392 0.872 70 20 ECID NCCCNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 160135532 LQHCTLGTVSRDKG-UHFFFAOYSA-N 339.461 0.699 70 20 ECID O=C(Cn1c(=O)cnc2ccccc21)NC[C@@H](O)CN1CCCCC1 160246904 PHSVGQVPFDBPBM-CQSZACIVSA-N 344.415 0.360 70 20 ECID O=C(CN1CCCN(C(=O)c2cccc(F)n2)CC1)N1CCCC1 159736644 RFYBWMQKLIPSFL-UHFFFAOYSA-N 334.395 0.991 70 20 ECID CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1 864241379 TYIILWQTCILXRY-NEPJUHHUSA-N 328.365 0.989 70 20 ECID C[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 972924051 GHHOQEPQKHIJIS-KBIXCLLPSA-N 343.380 0.706 70 20 ECID C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1CCO 993824848 MCGOVDABUQAGKN-KOLCDFICSA-N 333.385 0.248 70 20 ECID O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263697278 SKVYKXIBHQJQNR-LLVKDONJSA-N 329.353 0.556 70 20 ECID Cn1c(=O)ccn(CC(=O)NCCOc2ccccc2Cl)c1=O 159471371 NRHBIWDZRWLGPH-UHFFFAOYSA-N 337.763 0.396 70 20 ECID CN1CCO[C@H]2CN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C[C@@H]21 159678906 SFFUPWDIJOFPGY-KBPBESRZSA-N 339.342 0.236 70 20 ECID NC(=O)c1cnn2c(C(=O)N[C@@H](CCO)c3ccccc3)ccnc12 159521651 BKIXQTHWNDNEJZ-ZDUSSCGKSA-N 339.355 0.682 70 20 ECID CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1ncn(C)c1Cl 159683418 GSTRPKMXTVTMPT-UHFFFAOYSA-N 343.858 0.517 70 20 ECID O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(C(=O)CN2CCOCC2)CC1 217856529 WMJWOLUGMDKGJW-BBWFWOEESA-N 349.475 0.816 70 20 ECID CC1(C(=O)N[C@@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1 940912196 HVUJMQNQMZEOHN-SECBINFHSA-N 343.380 0.804 70 20 ECID CCCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 958413484 PKALFKXIVXSMDC-GXFFZTMASA-N 347.412 0.496 70 20 ECID O=C(N[C@@H]1CCN(CC2CC2)C[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1090576876 OCAFAFURRDILOI-YPMHNXCESA-N 345.396 0.248 70 20 ECID COC[C@@H](O)CCNC(=O)c1ccc(=O)n(-c2ccccc2F)n1 161310315 GNBNWRMCQXOGAG-NSHDSACASA-N 335.335 0.499 70 20 ECID COCCS(=O)(=O)N(C)CCN1CCN(c2ccccc2)CC1 160355639 VQNAEKZQDKYZBS-UHFFFAOYSA-N 341.477 0.717 70 20 ECID CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](C)CO 160408961 WWIHIPVCLYMOST-RISCZKNCSA-N 346.424 0.873 70 20 ECID O=C(NC[C@@H](O)CN1CCCCC1)c1sccc1-n1cnnn1 160543151 IEWIQPVQIWOYGW-LLVKDONJSA-N 336.421 0.300 70 20 ECID CC[C@H]1CCC[C@H]1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O 159525972 WRTRSBYKXQUZBE-WCBMZHEXSA-N 344.209 0.994 70 20 ECID Cn1cc(N2CC[C@@H](N3CCO[C@@](C)(c4cnn(C)c4)C3)C2=O)cn1 159379084 QQGAEGLDTFVLIR-NVXWUHKLSA-N 344.419 0.507 70 20 ECID CCN(CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ncccn1 1100730238 LPTHVWUJEUZARP-UHFFFAOYSA-N 341.368 0.719 70 20 ECID O=C(NC[C@@H]1CN(CC2CC2)CCO1)c1cc(S(=O)(=O)F)c[nH]1 1035510331 LJTFKBFEMSKTOE-LLVKDONJSA-N 345.396 0.514 70 20 ECID N#CCn1cc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cn1 771830297 XKLSKXBQDBRLFI-UHFFFAOYSA-N 344.349 0.866 70 20 ECID CC(C)(O)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1263716758 MMANRJHWCUVFCC-UHFFFAOYSA-N 333.385 0.202 70 20 ECID COC(=O)C[C@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCOC1 1348033529 BWAFHOYJHRKHGO-CYBMUJFWSA-N 348.352 0.515 70 20 ECID CO[C@@H]1COC[C@H]1NC(=O)CCc1ccc(S(=O)(=O)F)cc1 1518263827 UZPWTMKEDHSQRS-CHWSQXEVSA-N 331.365 0.807 70 20 ECID O=C(NC[C@H](C(=O)O)[C@@H]1CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1601457366 SZIVVJWNLDLMQX-APPZFPTMSA-N 334.325 0.140 70 20 ECID COC(=O)CNC(=O)[C@H](CCSC)NC(=O)Cc1ccccc1 217935356 ISYWIIVYMQCMST-ZDUSSCGKSA-N 338.429 0.756 70 20 ECID O=C(NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)[C@@H]1CC12CC2 1000517008 VWPMPOPARSEAKN-JTQLQIEISA-N 341.364 0.414 70 20 ECID CCC(=O)N1CCC2(C1)CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2 1019449758 FHIQQFCGMQOQHL-UHFFFAOYSA-N 343.380 0.757 70 20 ECID COC[C@@H](C)N1CC[C@@](C)(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1046628840 RVTZRTUWXCVRJU-QMTHXVAHSA-N 347.412 0.902 70 20 ECID O=S(=O)(NCC1CCN(CCO)CC1)c1cc(F)ccc1F 161407738 OKAMFDHOQFANII-UHFFFAOYSA-N 334.388 0.947 70 20 ECID NS(=O)(=O)N1CCC(C(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@@H]23)CC1 161455609 IGIHFHBXTRIXSG-ARFHVFGLSA-N 349.456 0.604 70 20 ECID CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCc2ccc(C)cc2)C1 160004618 AFNFEXZTKMXYIL-CQSZACIVSA-N 325.434 0.871 70 20 ECID Cn1c(=O)[nH]c2ccc(C(=O)NCC(C)(C)S(C)(=O)=O)cc21 160869246 LXYHWZIMOMGWHN-UHFFFAOYSA-N 325.390 0.420 70 20 ECID CC[C@](C)(CO)NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 159376010 WRYDPMULYORLNA-OAHLLOKOSA-N 344.481 0.930 70 20 ECID O=C(NC[C@H]1CCCN1C(=O)C1CC1)c1cc(S(=O)(=O)F)c[nH]1 943808183 YGUBYSCSLWJVJS-SNVBAGLBSA-N 343.380 0.804 70 20 ECID CC1(C)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1NCC#N 996307537 FFYFWSRUTNZXLL-NSHDSACASA-N 328.369 0.637 70 20 ECID CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1082143837 HLHAPLLNVNKGMP-CHWSQXEVSA-N 345.396 0.512 70 20 ECID CCO[C@@H]1C[C@@](O)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1(C)C 1519746384 VPOYZWFLIOPCGN-BXUZGUMPSA-N 348.396 0.969 70 20 ECID CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1516701107 GPLYMXFUCDPACG-SNVBAGLBSA-N 349.409 0.666 70 20 ECID C[C@@H]([C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1)N1CCOCC1 1520866715 YRMPPXPSZJUMOJ-ZJUUUORDSA-N 333.385 0.512 70 20 ECID CN(C)C[C@@](C)(O)CNS(=O)(=O)c1ccc2oc(=O)ccc2c1 161504907 JMQCFGQEFDYZOS-HNNXBMFYSA-N 340.401 0.384 70 20 ECID CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCC(N)(CC)CC)CC1=O 160432991 NUAIFALZEIPJJR-GJZGRUSLSA-N 338.496 0.953 70 20 ECID C[C@@H](CO)CNC(=O)c1sccc1S(=O)(=O)N1CCCC1 160438504 DSSBNKWDQMFACJ-SNVBAGLBSA-N 332.447 0.891 70 20 ECID CN(CC(C)(C)CN1CCOCC1)C(=O)c1ccc(C(N)=O)cn1 159986356 HPMUSSKQQLRWSK-UHFFFAOYSA-N 334.420 0.611 70 20 ECID CCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1 975228806 HMYCKDFHUCRUAW-BXKDBHETSA-N 343.380 0.756 70 20 ECID COc1cccc2c1CC[C@@H]2NC(=O)c1cn(CC(=O)N(C)C)nn1 160077354 PHWQYUMQCPKYPV-ZDUSSCGKSA-N 343.387 0.792 70 20 ECID CCC[C@H](CCO)CNC(=O)N[C@H]1CCc2nc(COC)nn2C1 160569641 KCLCRJHEAGALNE-OLZOCXBDSA-N 339.440 0.837 70 20 ECID Cn1c(=O)ccn(CC(=O)N[C@H]2CCOC3(CCCCC3)C2)c1=O 160600529 SPCDHWDFDWWQNO-ZDUSSCGKSA-N 335.404 0.545 70 20 ECID COC(=O)N(C)CCNC(=O)Cc1ccc(S(=O)(=O)F)cc1 1339085466 KJQIYFCMUNWABX-UHFFFAOYSA-N 332.353 0.702 70 20 ECID CC(C)(C)NC(=O)CNC(=O)CNc1ccc(C(N)=O)c(Cl)c1 161223750 KVYMJSLLIIKPJP-UHFFFAOYSA-N 340.811 0.882 70 20 ECID CNC[C@H]1CCCN1C(=O)CSCC(=O)Nc1cc(C)on1 161374958 CSGCZVJZSHHVQD-LLVKDONJSA-N 326.422 0.865 70 20 ECID C#CCN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1044746102 FTRZGJOBFMGNMI-MNOVXSKESA-N 327.381 0.889 70 20 ECID O=C(N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1)C1CCC1 937592109 ZLOKOTLVGIHUJC-JTQLQIEISA-N 343.380 0.804 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(C(=O)C(F)F)C1 955355515 RMDHYZRHRYYCKX-UHFFFAOYSA-N 339.295 0.221 70 20 ECID CO[C@@H](C)CN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1080458336 UAKWBSZBGJSVLS-GBIKHYSHSA-N 347.412 0.758 70 20 ECID COCCCN1CCC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1229207932 CWGJFUQMRPPNMC-UHFFFAOYSA-N 347.412 0.904 70 20 ECID O=C(NC1CN(C(=O)[C@H]2CC23CC3)C1)c1cc(S(=O)(=O)F)c[nH]1 999956670 QLCQCLIBXFFEAW-SNVBAGLBSA-N 341.364 0.414 70 20 ECID CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)F)cc1C 1338410415 XTTYLQZPWMHDMG-UHFFFAOYSA-N 337.394 0.818 70 20 ECID CN(CCCO)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1192394592 DKYIQJLBDFDCKI-JTQLQIEISA-N 333.385 0.202 70 20 ECID C[C@H]1C[C@H](NCCCO)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1755687532 YSKKAFRRRBTCJP-UWVGGRQHSA-N 333.385 0.248 70 20 ECID COC[C@@H](O)CCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 161341085 QOXQNARCCNXRBN-HOTGVXAUSA-N 334.416 0.734 70 20 ECID CCc1n[nH]c(=O)c(CNC(=O)CS(=O)(=O)CC(C)C)c1CC 160133125 DZMDICDDAGXSJF-UHFFFAOYSA-N 343.449 0.582 70 20 ECID NC(=O)c1ccc(/C=C/C(=O)NC[C@H](O)CN2CCCCC2)cc1 159926441 NLOBHUKNBSZETM-FSNWXROXSA-N 331.416 0.762 70 20 ECID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CCN(CCO)CC1 1006004862 SFBAWBVBUGBELX-UHFFFAOYSA-N 333.385 0.202 70 20 ECID COCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1032634265 MAUATCZTBOBPIG-UWVGGRQHSA-N 331.369 0.218 70 20 ECID CNC(=O)[C@H](CCSC)NC(=O)c1ccc(S(=O)(=O)F)cc1 890957971 FUSPKFDNZXOJST-NSHDSACASA-N 348.421 0.942 70 20 ECID CC[C@H](OC)C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999950907 BSPHEOVKDXSINR-NSHDSACASA-N 347.368 0.039 70 20 ECID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(N2CCOCC2)CC1 1350015049 KEHAOTFWOWZYBP-UHFFFAOYSA-N 345.396 0.610 70 20 ECID O=C(O)c1ccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nc1 1602341690 DCABIJHVAARSNX-UHFFFAOYSA-N 327.293 0.696 70 20 ECID O=C(NCC1CCN(CCO)CC1)c1cccc(-n2cncn2)c1 160557036 YLSVYMMPZSIJND-UHFFFAOYSA-N 329.404 0.701 70 20 ECID O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1COCCN1 160930660 XOHXOAYAXKFTCU-OLZOCXBDSA-N 337.807 0.940 70 20 ECID CC(=O)N1CC[C@H](NC(=O)NCc2cn(C)nc2C(F)(F)F)C1 159683636 NTSMFLBOIYLDGA-JTQLQIEISA-N 333.314 0.859 70 20 ECID CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1009603160 PMGXNZUTCNWUHO-QPUJVOFHSA-N 347.368 0.039 70 20 ECID