smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN1CCC(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)CC1 216920467 JXZURTUUHSPTDG-UHFFFAOYSA-N 325.434 1.363 70 40 EDIB C[C@@](O)(CNC(=O)CN1C(=O)CCC1=O)c1cc2ccccc2s1 217500390 NYHOXMGZVRSHSA-QGZVFWFLSA-N 346.408 1.374 70 40 EDIB O=S(=O)(C1CC1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217852913 XAMNZJLMIWNLLP-LLVKDONJSA-N 349.416 1.273 70 40 EDIB COc1cccc(-c2nnc(C3CCN(S(C)(=O)=O)CC3)o2)c1 216634543 UEZJXSDRPCXMLF-UHFFFAOYSA-N 337.401 1.884 70 40 EDIB CN(C)c1ccc(NC(=O)C(=O)NCC[C@@H](O)c2cccn2C)cc1 217947859 FZLCSUYOHFVUES-MRXNPFEDSA-N 344.415 1.270 70 40 EDIB CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 218124807 ZRBKPWRFOSEITO-DJIMGWMZSA-N 332.444 1.601 70 40 EDIB COC(=O)CS[C@H]1CCN(S(=O)(=O)c2ccccc2F)C1 217566273 DNYXUMBSVGYGLM-JTQLQIEISA-N 333.406 1.495 70 40 EDIB CN1CCC(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 216920807 KPYOYVUMWMVNCV-UHFFFAOYSA-N 331.416 1.439 70 40 EDIB Cn1cc(CC(=O)N2CC(N3C(=O)CSC3=O)C2)c2ccccc21 217745857 AHILZPDCUGSNDJ-UHFFFAOYSA-N 343.408 1.627 70 40 EDIB O=C(Cc1ccc(F)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217720410 RBKGVQACQJVLED-HZPDHXFCSA-N 342.370 1.530 70 40 EDIB COCCCNC(=O)c1ccccc1NC(=O)C1CCN(C)CC1 216921070 KAGXLOOPYYIEKI-UHFFFAOYSA-N 333.432 1.733 70 40 EDIB O=S(=O)(NCC[C@H](O)C1CCOCC1)c1cc(F)cc(F)c1 217923710 OTWHTSPNHGQBEA-AWEZNQCLSA-N 335.372 1.421 70 40 EDIB O=C(NC[C@H](O)Cn1ccccc1=O)c1ccccc1C(F)(F)F 218412542 WDYVHDQQPBRVOX-NSHDSACASA-N 340.301 1.658 70 40 EDIB COC[C@](C)(O)CNC(=O)CCc1ccccc1Br 217571209 PWJDEFDZSBWZEA-CQSZACIVSA-N 330.222 1.895 70 40 EDIB Cc1noc(C)c1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217612900 FNSQZHKQHYGLTL-UHFFFAOYSA-N 329.360 1.074 70 40 EDIB CCc1ccc(S(=O)(=O)N2CC[C@@H](SCC(=O)OC)C2)s1 217567457 VLCVJEXPQLCJAR-LLVKDONJSA-N 349.499 1.980 70 40 EDIB CN1CCC(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 217022519 LGPABUSVLWSEKK-UHFFFAOYSA-N 345.852 1.536 70 40 EDIB Cn1cnc(S(=O)(=O)NC[C@H]2CCCN(c3nccs3)C2)c1 218191228 KPQUXIBLYXHNFZ-LLVKDONJSA-N 341.462 1.072 70 40 EDIB O=C(c1cnn2c1CCCC2)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 217977936 CGJNARVAZINNLS-HNNXBMFYSA-N 342.443 1.860 70 40 EDIB COc1cccc(-c2nnc([C@@H]3CCCN(S(C)(=O)=O)C3)o2)c1 216652482 IICGHAPEHYESSD-GFCCVEGCSA-N 337.401 1.884 70 40 EDIB COCCN1C(=O)CS[C@H]1c1cn(Cc2cccc(C)c2)nn1 216686886 LSGBSLIQJCFLOR-INIZCTEOSA-N 332.429 1.855 70 40 EDIB COc1ccccc1O[C@@H](C)C(=O)NCCCN1CCN(C)CC1 217031942 ZNTVNVYCFIMTTO-HNNXBMFYSA-N 335.448 1.216 70 40 EDIB COC1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 217789021 GYVSOMZIZBQCIT-UHFFFAOYSA-N 338.473 1.951 70 40 EDIB CCc1ccc(S(=O)(=O)N2CC[C@H](SCC(=O)OC)C2)s1 217567367 VLCVJEXPQLCJAR-NSHDSACASA-N 349.499 1.980 70 40 EDIB CCN1C(=O)CS[C@@H]1c1cn(Cc2cccc(C(=O)OC)c2)nn1 216754167 LOOHPXKAUJZTOC-OAHLLOKOSA-N 346.412 1.707 70 40 EDIB COc1cccc2cc(C(=O)N3CC[C@H](n4ccnn4)C3)c(=O)oc12 217688072 MKFJJSZTMFTUSW-LBPRGKRZSA-N 340.339 1.480 70 40 EDIB O=C(/C=C/c1ccc2c(c1)CCO2)NC[C@H](O)CN1CCCCC1 160402514 FGUIPBMMJLGVFM-UABRLCRWSA-N 330.428 1.598 70 40 EDIB COC(=O)CS[C@H]1CCN(S(=O)(=O)c2cc(C)ccc2C)C1 217567007 MNHZDXLNULSTKP-ZDUSSCGKSA-N 343.470 1.973 70 40 EDIB Cc1cc(C)cc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c1 217033428 IYAHZFSLPGCHAB-QGZVFWFLSA-N 333.476 1.824 70 40 EDIB O=C1CSC(=O)N1C1CN(S(=O)(=O)c2c(F)cccc2F)C1 217749174 HNLLNAQLSWIKBT-UHFFFAOYSA-N 348.352 1.033 70 40 EDIB Cc1noc([C@H]2COCCN2Cc2cccc(C(=O)N(C)C)c2)n1 160917744 IYEHAXTZZOFWSV-OAHLLOKOSA-N 330.388 1.653 70 40 EDIB Cn1cnc(S(=O)(=O)NCCn2ccc(-c3ccsc3)n2)c1 217893684 XTLUZVMPIHNOOW-UHFFFAOYSA-N 337.430 1.324 70 40 EDIB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cnccn1 218273785 JFIAZCJFKMEWRO-CYBMUJFWSA-N 337.339 1.765 70 40 EDIB Cc1ccc(C(=O)CCN2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 160965794 SBWIRMLJCIITHQ-SFHVURJKSA-N 343.471 1.982 70 40 EDIB COc1ccc(/C=C/C(=O)NC2CCN(C)CC2)c(OC)c1OC 216931399 AXPCJRYRSIQYQI-SOFGYWHQSA-N 334.416 1.936 70 40 EDIB COc1ccccc1C(=O)N1CCN(c2cnnc(N(C)C)c2)CC1 217586047 KMWZSDPDLPOCCV-UHFFFAOYSA-N 341.415 1.514 70 40 EDIB O=C1COc2cc(Br)c(S(=O)(=O)Cl)cc2N1 100650731 AEFLFBAHSDQSCH-UHFFFAOYSA-N 326.555 1.708 70 40 EDIB in-vitro O=C(c1ccc2cc[nH]c2c1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217730171 LCUJVJRWZSPTQV-IYBDPMFKSA-N 349.390 1.944 70 40 EDIB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Cl 100649803 RWQFFOSHSQVLHR-UHFFFAOYSA-N 337.806 1.297 70 40 EDIB Cc1noc(C)c1CC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217585202 LRWNFKZMODPSKP-UONOGXRCSA-N 327.384 1.642 70 40 EDIB CN(c1ccccc1C(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O 218340316 XDSUGDTTYWBSNW-UHFFFAOYSA-N 347.396 1.434 70 40 EDIB O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@H](c2ccccc2)C1 217287200 MFBKRHSCKFOEKX-INIZCTEOSA-N 341.411 1.723 70 40 EDIB Cc1ccc(NC(=O)C(=O)NCC[C@H](O)c2cccn2C)cc1F 217947495 UBCCNXNLZSRSKC-HNNXBMFYSA-N 333.363 1.651 70 40 EDIB O=C(Nc1ccc(F)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217736023 GTSQSIJTBOCJTF-HUUCEWRRSA-N 343.358 1.993 70 40 EDIB CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1nccc2ccccc12 160682041 QOKCSOKQUHZFFQ-HIFRSBDPSA-N 347.440 1.683 70 40 EDIB CCOc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2cccn2C)cc1 217948323 BFWDKJDHZYTDNN-MRXNPFEDSA-N 345.399 1.602 70 40 EDIB Cc1cc(=O)c(O)c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)n1C 217556300 VVBYSEHYHBKYKN-UONOGXRCSA-N 341.411 1.180 70 40 EDIB Cc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2cccn2C)cc1F 217947571 UBCCNXNLZSRSKC-OAHLLOKOSA-N 333.363 1.651 70 40 EDIB O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2cc(=O)n3ccccc3n2)C1 217561139 FOTVPNZLEBNJSY-LSDHHAIUSA-N 348.406 1.476 70 40 EDIB CCN1C(=O)CS[C@@H]1c1cn(Cc2ccc(C(=O)OC)cc2)nn1 216754289 VAGGPFWXVWLWAO-OAHLLOKOSA-N 346.412 1.707 70 40 EDIB O=C(NC[C@@H](O)Cn1ccccc1=O)c1ccccc1C(F)(F)F 218412618 WDYVHDQQPBRVOX-LLVKDONJSA-N 340.301 1.658 70 40 EDIB O=C([C@H]1CCOC1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217847675 UKYKEGKKHDORGE-OLZOCXBDSA-N 343.387 1.344 70 40 EDIB O=C(CC1CCCC1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218621502 AVWIYLBRRCKQGS-UHFFFAOYSA-N 341.419 1.286 70 40 EDIB O=C(c1ccc(Br)o1)N1CC(N2C(=O)CSC2=O)C1 217746410 PDFWITFCKIRCMY-UHFFFAOYSA-N 345.174 1.562 70 40 EDIB COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cn1 97977112 HUDSQNAWXAGMDW-UHFFFAOYSA-N 346.361 1.549 70 40 EDIB O=C(/C=C/c1ccco1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217719769 BDDAIWFTHRPLMJ-JSMHICHCSA-N 326.352 1.455 70 40 EDIB CCCc1nnc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)s1 217985780 CXDOHKMVBDVGCB-PHIMTYICSA-N 335.437 1.922 70 40 EDIB Cn1cccc(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)c1=O 217805751 IMIIBIYGWPFHCV-LBPRGKRZSA-N 342.399 1.741 70 40 EDIB C[C@H]1CN(C2CCOCC2)CCN1c1ccc(S(=O)(=O)F)cn1 1614998962 JFUGUNLHHSGHTF-LBPRGKRZSA-N 343.424 1.429 70 40 EDIB Cc1cnn(CCNC(=O)Nc2cccc(-c3ncn(C)n3)c2)c1 161434075 USHOFUGSNSDHGR-UHFFFAOYSA-N 325.376 1.809 70 40 EDIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1snnc1C 218005965 HQXFDEUNSZOHIZ-INIZCTEOSA-N 333.413 1.809 70 40 EDIB COc1ccc(-c2nnc([C@@H]3CCCN(S(C)(=O)=O)C3)o2)cc1 216654807 JNGQIYIGGNGEKS-GFCCVEGCSA-N 337.401 1.884 70 40 EDIB CNC(=O)CNC(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 161008935 YWMHJZGWWOOCBG-UHFFFAOYSA-N 327.388 1.692 70 40 EDIB CC(=O)N1CCC(C(=O)Nc2cnn(CC3CCOCC3)c2)CC1 218202505 RJCPGPJUIFACNO-UHFFFAOYSA-N 334.420 1.507 70 40 EDIB O=c1[nH]c2cc(Cl)c(S(=O)(=O)NCc3ccncc3)cc2o1 159534812 UYDBQQMKXBXFJZ-UHFFFAOYSA-N 339.760 1.648 70 40 EDIB COC(=O)N[C@H](C(=O)Nc1ncc(S(=O)(=O)F)s1)C(C)C 585125883 HZJZTZHBNFMWCE-ZETCQYMHSA-N 339.370 1.120 70 40 EDIB O=S(=O)(c1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1 217615375 XCNIBHAJCYRASO-UHFFFAOYSA-N 346.412 1.018 70 40 EDIB COC(=O)CS[C@H]1CCN(C(=O)COc2ccc(F)cc2)C1 217553673 AWXNZLDZYKEKOJ-ZDUSSCGKSA-N 327.377 1.712 70 40 EDIB COC(=O)CS[C@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 217554800 NBORFTWSKPDEDQ-JTQLQIEISA-N 337.426 1.812 70 40 EDIB COc1ccc(S(=O)(=O)NC(C)C)cc1S(=O)(=O)Cl 218270373 TWSDNPZAKHULRA-UHFFFAOYSA-N 327.811 1.309 70 40 EDIB CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 218298984 YWVQZJDWFMUCNS-XJKCOSOUSA-N 334.416 1.571 70 40 EDIB Cc1cc(S(=O)(=O)NCC[C@H](O)c2cccn2C)ccc1F 217941683 WENOAPKLSURFLR-HNNXBMFYSA-N 326.393 1.875 70 40 EDIB O=C(Cn1cccn1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 218276397 DTDJYXDJZOYEEF-CQSZACIVSA-N 339.355 1.558 70 40 EDIB CC(C)n1ncc(S(=O)(=O)Cl)c1I 408717841 XIQBBBOYBACAQL-UHFFFAOYSA-N 334.566 1.996 70 40 EDIB CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3cncnc3C)o2)C1 216659127 QFINTZUDZXKUAS-NSHDSACASA-N 337.405 1.364 70 40 EDIB Cc1nnsc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 217670387 VSCUOHPQWVNKQX-UHFFFAOYSA-N 326.385 1.802 70 40 EDIB COc1ccc(S(=O)(=O)N(CC(=N)N)c2cccc(OC)c2)cc1 217351309 ZFKUIKBSAMSLNV-UHFFFAOYSA-N 349.412 1.835 70 40 EDIB COc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1OC 216847633 UYIVZAHITKTHBP-UHFFFAOYSA-N 329.404 1.989 70 40 EDIB O=S(=O)(F)c1cc(S(=O)(=O)N2CC[C@H](F)C2)ccc1F 1776011229 SRASJTSSEOHKIV-ZETCQYMHSA-N 329.321 1.216 70 40 EDIB COCCNC(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217850188 IEHHEUVEYUYMJS-GFCCVEGCSA-N 346.391 1.137 70 40 EDIB COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)cc(C(=O)OC)c1 114476282 RSTUPIKSYPDJNS-UHFFFAOYSA-N 342.247 1.488 70 40 EDIB CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1nccc2ccccc12 160682166 QOKCSOKQUHZFFQ-DZGCQCFKSA-N 347.440 1.683 70 40 EDIB O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1cc(F)cc(F)c1 217923790 OTWHTSPNHGQBEA-CQSZACIVSA-N 335.372 1.421 70 40 EDIB O=C1CSC(=O)N1C1CN(S(=O)(=O)c2ccccc2Cl)C1 217749051 DBMVVMDKASMVJP-UHFFFAOYSA-N 346.817 1.408 70 40 EDIB O=C(NCC[C@@H](O)C1CCOCC1)c1ccc(Br)o1 217919531 ANGHGOJVIWNBJC-SNVBAGLBSA-N 332.194 1.950 70 40 EDIB OC[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CCO1 160064640 WKPRXJKIMPCEME-JTQLQIEISA-N 326.194 1.519 70 40 EDIB C[C@@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)CN1CCCC1 159399895 XWXXNOBHLSKYSZ-KRWDZBQOSA-N 345.491 1.641 70 40 EDIB CN1CCN(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)CC1 217818699 KKMJSOGENKSQBC-CYBMUJFWSA-N 333.436 1.569 70 40 EDIB Cc1ccccc1C(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1 217695754 RNNKALFVXYHCBA-UHFFFAOYSA-N 347.440 1.807 70 40 EDIB CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3cncnc3C)o2)C1 216659084 QFINTZUDZXKUAS-LLVKDONJSA-N 337.405 1.364 70 40 EDIB COc1ccc2cc(C(=O)N3CC(N4C(=O)CSC4=O)C3)[nH]c2c1 217747333 DGHPXRJKLYAKFZ-UHFFFAOYSA-N 345.380 1.696 70 40 EDIB O=C(c1n[nH]c2ccccc12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 218041021 IRUUUVGROAQVGA-QWHCGFSZSA-N 334.379 1.984 70 40 EDIB Cc1c(NC(=O)[C@@H]2CCCN(C)C2)c(=O)n(-c2ccccc2)n1C 216906640 YSSHWIZNTCKWFB-CQSZACIVSA-N 328.416 1.765 70 40 EDIB COc1ccc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NC3CC3)[C@H]4C2=O)cc1 217724921 ZSTRBARPVXWWDN-DRMAHVMPSA-N 340.379 1.260 70 40 EDIB COC(=O)CS[C@@H]1CCN(C(=O)c2cccnc2SC)C1 217553408 YYTNUKGFJYJRCU-SNVBAGLBSA-N 326.443 1.924 70 40 EDIB COc1ccc(C)cc1S(=O)(=O)NCC[C@H](O)c1cccn1C 217942514 IJCJXCCCTCYJOM-AWEZNQCLSA-N 338.429 1.744 70 40 EDIB COc1ccccc1-c1nnc([C@@H]2CCCN(S(C)(=O)=O)C2)o1 216650264 OMCYIOWKVHWFFQ-LLVKDONJSA-N 337.401 1.884 70 40 EDIB O=C(c1c[nH]c2ccccc12)N1Cc2cnc(N3CCOCC3)nc2C1 217613992 PYJCDHQISMKIED-UHFFFAOYSA-N 349.394 1.951 70 40 EDIB CN1CCN(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)CC1 217818760 KKMJSOGENKSQBC-ZDUSSCGKSA-N 333.436 1.569 70 40 EDIB CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O 217837573 MPPCSSMMSGIMJN-VHDGCEQUSA-N 347.415 1.020 70 40 EDIB biogenic CC(C)Oc1ccc(C(=O)N2CC(N3C(=O)CSC3=O)C2)cc1 217743642 FVESEQJAMVMMQV-UHFFFAOYSA-N 334.397 1.994 70 40 EDIB COC(=O)CS[C@H]1CCN(C(=O)c2cccnc2SC)C1 217553499 YYTNUKGFJYJRCU-JTQLQIEISA-N 326.443 1.924 70 40 EDIB O=C(c1cc2ccccc2[nH]1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217729587 DJFYEWPYMFRPQG-GASCZTMLSA-N 349.390 1.944 70 40 EDIB Cc1cc(OC2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc(=O)n1C 217755171 GBUOJEAMNAPHDX-UHFFFAOYSA-N 342.351 1.326 70 40 EDIB Cn1cccc1[C@H](O)CCNS(=O)(=O)c1c(F)cccc1F 217942080 DDKFBKQTJOJFJH-CYBMUJFWSA-N 330.356 1.705 70 40 EDIB COC(=O)c1cccc(Cn2cc([C@@H]3SCC(=O)N3C)nn2)c1 216752255 FIFORYUCPSHEKB-AWEZNQCLSA-N 332.385 1.317 70 40 EDIB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)C1(c2ccccc2)CCOCC1 217603029 AEUBUWQOXQRXAM-HZPDHXFCSA-N 347.411 1.524 70 40 EDIB O=C(/C=C/c1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1 217607185 NZTGFMIYZAMXSA-VOTSOKGWSA-N 336.395 1.869 70 40 EDIB Cn1cccc1[C@@H](O)CCNC(=O)c1cc2ccccc2oc1=O 217936037 BTHAHNRYHIGMIB-HNNXBMFYSA-N 326.352 1.985 70 40 EDIB CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1C(N)=O 218395116 LFNLUPFAKMRPFR-UHFFFAOYSA-N 333.369 1.409 70 40 EDIB COCCN1C(=O)CS[C@@H]1c1cn(Cc2cccc(F)c2)nn1 216688911 AWADRAQFNATZIL-OAHLLOKOSA-N 336.392 1.686 70 40 EDIB CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3cnc(C)nc3)o2)C1 216656935 FSQTYDYHCZUIDL-NSHDSACASA-N 337.405 1.364 70 40 EDIB Cc1ncn(CC(=O)Nc2cnn(CC3CCOCC3)c2)c(=O)c1C 218225658 OKOZEPGSEOSRAL-UHFFFAOYSA-N 345.403 1.122 70 40 EDIB O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCN(Cc2ccccn2)CC1 161264964 RMRBAGMOWRENLR-FUHWJXTLSA-N 344.459 1.866 70 40 EDIB CCOc1ccccc1NC(=O)N1CC(N2C(=O)CSC2=O)C1 217748606 YBGUOPXGPBVQQA-UHFFFAOYSA-N 335.385 1.997 70 40 EDIB O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCN(Cc2ccccn2)CC1 161264740 RMRBAGMOWRENLR-WMZOPIPTSA-N 344.459 1.866 70 40 EDIB Cc1noc(-c2cn(CCNC(=O)[C@H](C)Oc3ccccc3)nn2)n1 217467368 SDOVYPNPRSJVMG-NSHDSACASA-N 342.359 1.220 70 40 EDIB COc1cc(OC)cc(OCC(=O)NCCC2CCN(C)CC2)c1 217010326 JPKSYOKGEJKQAB-UHFFFAOYSA-N 336.432 1.931 70 40 EDIB COCCN1C(=O)CS[C@@H]1c1cn(Cc2cccc(C)c2)nn1 216686839 LSGBSLIQJCFLOR-MRXNPFEDSA-N 332.429 1.855 70 40 EDIB Cn1cccc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)c1=O 217805676 IMIIBIYGWPFHCV-GFCCVEGCSA-N 342.399 1.741 70 40 EDIB CCS(=O)(=O)N1CCC(c2nnc(-c3cnc(C)nc3)o2)CC1 216636896 XDADLHPYKKEIFB-UHFFFAOYSA-N 337.405 1.364 70 40 EDIB CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 218299016 YWVQZJDWFMUCNS-DVOMOZLQSA-N 334.416 1.571 70 40 EDIB COC(=O)CS[C@H]1CCN(C(=O)c2cnn(-c3ccccc3)n2)C1 217562895 ZIRJVPGZDNHNDP-ZDUSSCGKSA-N 346.412 1.388 70 40 EDIB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(C)C1 216910341 GYIRVNLMJBKOSQ-NSHDSACASA-N 336.388 1.771 70 40 EDIB CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccc2ncccc2c1 160497455 VNGAIZPSYQNFDG-ZBFHGGJFSA-N 347.440 1.683 70 40 EDIB CN(C)c1ccc(NC(=O)C(=O)NCC[C@H](O)c2cccn2C)cc1 217947937 FZLCSUYOHFVUES-INIZCTEOSA-N 344.415 1.270 70 40 EDIB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCN1CCN(C)CC1 217034641 HIFWDWJNOBVTBT-GOSISDBHSA-N 333.476 1.906 70 40 EDIB O=C(/C=C/c1ccco1)N1Cc2cnc(N3CCOCC3)nc2C1 217606646 UJJYDKXCTRCDLH-ONEGZZNKSA-N 326.356 1.462 70 40 EDIB O=S(=O)(F)c1cc(S(=O)(=O)N2CCCCC2)ccc1F 1776011232 UUKJYHXOQPFJBN-UHFFFAOYSA-N 325.358 1.659 70 40 EDIB CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3cnc(C)nc3)o2)C1 216656888 FSQTYDYHCZUIDL-LLVKDONJSA-N 337.405 1.364 70 40 EDIB OC[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)CCO1 160064756 WKPRXJKIMPCEME-SNVBAGLBSA-N 326.194 1.519 70 40 EDIB Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217548147 SFPIUGXABHDBCI-QWHCGFSZSA-N 349.412 1.261 70 40 EDIB COc1ccc(OC)c(Nc2cc(N3CCN(C)CC3)ncn2)c1 216847592 AYCDGBDFUZOUOZ-UHFFFAOYSA-N 329.404 1.989 70 40 EDIB CS(=O)(=O)c1ccc(CCC(=O)N2CCc3ncncc3C2)cc1 217626949 PTUBSLOYQGAHIT-UHFFFAOYSA-N 345.424 1.398 70 40 EDIB O=C(c1ccc2cc[nH]c2c1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217730237 LCUJVJRWZSPTQV-HOTGVXAUSA-N 349.390 1.944 70 40 EDIB C[C@](O)(CNC(=O)C(=O)NC1CCCC1)c1cc2ccccc2o1 218002051 NRELHGXDHFCPGX-SFHVURJKSA-N 330.384 1.815 70 40 EDIB COc1ccc(CC(=O)NCC[C@H](O)c2cccn2C)cc1OC 217936585 VABMURDAUMOZDF-HNNXBMFYSA-N 332.400 1.825 70 40 EDIB COCCN1C(=O)CS[C@@H]1c1cn(Cc2cccc(OC)c2)nn1 216687579 RYRBMXUKOJQNRS-MRXNPFEDSA-N 348.428 1.555 70 40 EDIB COCc1nnc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)s1 218370925 NDHLTTRRSUHGFI-AOOOYVTPSA-N 337.409 1.116 70 40 EDIB COCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1 216910156 NYIFDVFQIQPCAW-AWEZNQCLSA-N 333.432 1.733 70 40 EDIB CCOCC(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217839636 VOFGWVMAJJUJQJ-LBPRGKRZSA-N 331.376 1.344 70 40 EDIB CC(C)(C)c1nsc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)n1 160062085 CEBXLIXRJIIVAJ-GFCCVEGCSA-N 337.493 1.754 70 40 EDIB CN(C)S(=O)(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 217882106 YSTDFCXZULRWGY-UHFFFAOYSA-N 340.474 1.885 70 40 EDIB O=S(=O)(F)c1cc(S(=O)(=O)N2CC[C@@H](F)C2)ccc1F 1776011228 SRASJTSSEOHKIV-SSDOTTSWSA-N 329.321 1.216 70 40 EDIB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ncn[nH]1 218285123 ZOZJGSPEJIJEDM-LLVKDONJSA-N 326.316 1.094 70 40 EDIB COCCN1C(=O)CS[C@H]1c1cn(Cc2ccc(OC)cc2)nn1 216688163 ARNUXXBXHRNTMG-INIZCTEOSA-N 348.428 1.555 70 40 EDIB CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 218124727 ZRBKPWRFOSEITO-HYVNUMGLSA-N 332.444 1.601 70 40 EDIB CC[C@@H](Oc1ccccc1OC)C(=O)NCCCN1CCN(C)CC1 217033847 JMDIXHFTJGFSFJ-MRXNPFEDSA-N 349.475 1.606 70 40 EDIB CCOc1ccccc1C(=O)NCCn1cc(-c2nc(C)no2)nn1 217466239 KKIRKNWJLRHBDQ-UHFFFAOYSA-N 342.359 1.465 70 40 EDIB Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc(=O)n1C 217773985 AIGFZLNASNEVPK-AWEZNQCLSA-N 348.424 1.536 70 40 EDIB O=C(c1ccc(F)c(F)c1)N1Cc2cnc(N3CCOCC3)nc2C1 217607969 CZWNYRZRXRKSEP-UHFFFAOYSA-N 346.337 1.747 70 40 EDIB COCCN1C(=O)CS[C@H]1c1cn(Cc2ccccc2OC)nn1 216688057 ZFJGQMLSGDRTNB-INIZCTEOSA-N 348.428 1.555 70 40 EDIB O=S(=O)(Cl)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 59060164 LEPFENCWGMWGBO-UHFFFAOYSA-N 337.728 1.455 70 40 EDIB in-vitro Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccc(=O)n(C)n1 217872785 JYGCBGCWSLHXTR-UHFFFAOYSA-N 343.412 1.444 70 40 EDIB COc1ccccc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217607525 YZXDYAIYUNAVDZ-UHFFFAOYSA-N 340.383 1.478 70 40 EDIB Cc1ccc(C)c(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c1 217015050 YNUVIPVULKQPFH-QGZVFWFLSA-N 333.476 1.824 70 40 EDIB O=C(Nc1ccc(F)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217735922 GTSQSIJTBOCJTF-GJZGRUSLSA-N 343.358 1.993 70 40 EDIB COc1ncccc1C(=O)N1CC[C@H](Oc2cc(C)n(C)c(=O)c2)C1 217772807 YHSKDFBHVPGOBJ-ZDUSSCGKSA-N 343.383 1.391 70 40 EDIB O=C(Cn1c(=O)oc2ccccc21)NCCSC1CCOCC1 217702068 LLUBFSCJSAGYPS-UHFFFAOYSA-N 336.413 1.623 70 40 EDIB Cn1cccc1[C@@H](O)CCNC(=O)C(=O)NCc1ccc(F)cc1 217947390 WAIAJXYDYMTMJV-HNNXBMFYSA-N 333.363 1.020 70 40 EDIB O=S(=O)(NCCn1ccc(-c2ccsc2)n1)c1cccnc1 217892068 ORDSRWYTJMEVRN-UHFFFAOYSA-N 334.426 1.985 70 40 EDIB Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc(=O)n1C 217773914 AIGFZLNASNEVPK-CQSZACIVSA-N 348.424 1.536 70 40 EDIB O=S(=O)(Cl)OC[C@H](I)C(F)(F)F 100486438 MBMKXUMARAUYHE-REOHCLBHSA-N 338.472 1.853 70 40 EDIB O=C(CCS(=O)(=O)c1ccccc1)N1CCc2ncncc2C1 217626625 QCWLQPYHBROQIK-UHFFFAOYSA-N 331.397 1.225 70 40 EDIB C[C@H](O)CC(C)(C)CNC(=O)N1CCN(Cc2ccccn2)CC1 160370024 YDRHAESWUMHPPE-HNNXBMFYSA-N 334.464 1.706 70 40 EDIB CCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 216873547 LXDBNSQTJRBCLJ-UHFFFAOYSA-N 345.852 1.026 70 40 EDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NC3CCCC3)[C@H]4C2=O)no1 217718539 IFVLHOGIVFTUQH-FHIHXZLISA-N 343.383 1.328 70 40 EDIB C[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 216905540 PNJUTINFBMCAHD-ZDUSSCGKSA-N 338.473 1.999 70 40 EDIB Cc1nc(Nc2ccc(C(N)=O)cc2)cc(N2CCN(C)CC2)n1 216850249 MLEFFUHHYMTDOO-UHFFFAOYSA-N 326.404 1.379 70 40 EDIB CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1ccc2c(c1)CCC2 159680278 UUYPVZZKTVPZSO-UHFFFAOYSA-N 345.486 1.619 70 40 EDIB Cc1ccccc1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218615521 MQPKJFAUXHGGAR-UHFFFAOYSA-N 349.398 1.328 70 40 EDIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1snnc1C 218005870 HQXFDEUNSZOHIZ-MRXNPFEDSA-N 333.413 1.809 70 40 EDIB O=C(c1ccc(F)c(F)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217720801 DILLUJRMTYJDSK-BETUJISGSA-N 346.333 1.740 70 40 EDIB C[C@](O)(CNC(=O)C(=O)Nc1ccon1)c1cc2ccccc2s1 217517225 VACYDDLPWUBLFF-INIZCTEOSA-N 345.380 1.852 70 40 EDIB O=C(NCC[C@H](O)c1ccsc1)C(=O)NCc1ccc(F)cc1 217541714 GLSOZTNYAVJQQS-AWEZNQCLSA-N 336.388 1.743 70 40 EDIB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)c1 217015009 YNUVIPVULKQPFH-KRWDZBQOSA-N 333.476 1.824 70 40 EDIB Cc1noc(-c2c(NC(=O)c3cn(C)nn3)sc3c2CCOC3)n1 217965154 BPYUZYNIEKOJJZ-UHFFFAOYSA-N 346.372 1.560 70 40 EDIB O=C(NCC[C@H](O)C1CCOCC1)c1ccc(Br)o1 217919464 ANGHGOJVIWNBJC-JTQLQIEISA-N 332.194 1.950 70 40 EDIB CC(C)n1cc(S(=O)(=O)Cl)c(I)n1 408717475 BVFBONNUGCINDL-UHFFFAOYSA-N 334.566 1.996 70 40 EDIB COCCNC(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217850261 IEHHEUVEYUYMJS-LBPRGKRZSA-N 346.391 1.137 70 40 EDIB CC(C)c1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)n(C)n1 217892797 SIFYNLUTIIQCOB-UONOGXRCSA-N 340.427 1.965 70 40 EDIB O=S(=O)(NCCn1ccnc1-c1ccccn1)c1cccnc1 217863766 LKKAZSOIDQUULP-UHFFFAOYSA-N 329.385 1.319 70 40 EDIB O=C(Nc1nc2ccccc2[nH]1)[C@H]1CC[C@H](Cn2cnnn2)CC1 217989385 RWBKUGXEFGXUEF-TXEJJXNPSA-N 325.376 1.995 70 40 EDIB COC(=O)N(C)CCCC(=O)Nc1ncc(S(=O)(=O)F)s1 585126403 YJNBDUNIFJHUEC-UHFFFAOYSA-N 339.370 1.218 70 40 EDIB Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)Cl 100649834 GILWTPSDENSDSJ-QMMMGPOBSA-N 337.806 1.235 70 40 EDIB O=C(N[C@H](CO)c1ccccc1)[C@H]1CC(=O)N(Cc2ccco2)C1 218297963 BTEJUQAPUHHZFT-GOEBONIOSA-N 328.368 1.478 70 40 EDIB O=C(O)COc1ccc(S(=O)(=O)Cl)cc1Br 59100045 KEQCQOQIARZCFK-UHFFFAOYSA-N 329.555 1.840 70 40 EDIB O=C(/C=C/c1ccco1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217719698 BDDAIWFTHRPLMJ-LAELXIFRSA-N 326.352 1.455 70 40 EDIB O=C(c1cn(C[C@@H](O)c2ccccc2F)nn1)N1CCSCC1 217473413 CATZWZIIJQMKOZ-CQSZACIVSA-N 336.392 1.340 70 40 EDIB O=C(O)c1ccc(I)c(S(=O)(=O)Cl)c1 100509662 YSVCWSFJQFGRHI-UHFFFAOYSA-N 346.529 1.917 70 40 EDIB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)c1 217033377 IYAHZFSLPGCHAB-KRWDZBQOSA-N 333.476 1.824 70 40 EDIB CCCn1cc(S(=O)(=O)Cl)c(I)n1 408717572 IQXYPNGOIONLGQ-UHFFFAOYSA-N 334.566 1.825 70 40 EDIB COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2cc(C)ccc2C)C1 217567077 MNHZDXLNULSTKP-CYBMUJFWSA-N 343.470 1.973 70 40 EDIB Cc1cc(C)n(CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)n1 217826334 UFNWPSAELHNGLY-JKSUJKDBSA-N 340.427 1.698 70 40 EDIB COCCN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2F)nn1 216687373 XUXFPNGJZMCXAU-OAHLLOKOSA-N 336.392 1.686 70 40 EDIB C[C@](O)(CNC(=O)C(=O)NCCC1=CCCCC1)Cc1ccco1 217283092 ICVISDACCBAAJC-GOSISDBHSA-N 334.416 1.696 70 40 EDIB COc1cc(CNC(=O)C(C)C)c(S(=O)(=O)Cl)cc1OC 100027112 WLOCEQVOORIYBL-UHFFFAOYSA-N 335.809 1.904 70 40 EDIB O=C(NCc1ccc(O)c(F)c1)N1CCN(Cc2ccccn2)CC1 160338179 QALQQHTUGPSNFP-UHFFFAOYSA-N 344.390 1.954 70 40 EDIB COC(=O)CS[C@@H]1CCN(C(=O)COc2ccc(F)cc2)C1 217553613 AWXNZLDZYKEKOJ-CYBMUJFWSA-N 327.377 1.712 70 40 EDIB O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCN(Cc2ccccn2)CC1 161264830 RMRBAGMOWRENLR-SJLPKXTDSA-N 344.459 1.866 70 40 EDIB COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(C(=O)OC)c1 100027462 SIAYIRJZJUTZNI-UHFFFAOYSA-N 342.247 1.488 70 40 EDIB O=C(/C=C/c1cccs1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217720692 WALGZJANYPUMLK-FHFZEBMASA-N 342.420 1.923 70 40 EDIB O=C(NCC[C@H](O)c1ccsc1)C(=O)Nc1ccc2c(c1)OCO2 217542463 RJMCMYOTNYQIAF-LBPRGKRZSA-N 348.380 1.655 70 40 EDIB C[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 216905510 PNJUTINFBMCAHD-CYBMUJFWSA-N 338.473 1.999 70 40 EDIB O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@@H](c2ccccc2)C1 217287198 MFBKRHSCKFOEKX-MRXNPFEDSA-N 341.411 1.723 70 40 EDIB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCN1CCN(C)CC1 217034681 HIFWDWJNOBVTBT-SFHVURJKSA-N 333.476 1.906 70 40 EDIB Cc1ncn(CC(=O)NC[C@H]2CCCN2c2ccccc2)c(=O)c1C 217845729 VDAGKTUQRQBCHM-QGZVFWFLSA-N 340.427 1.645 70 40 EDIB O=C(Cc1ccc(F)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217720251 RBKGVQACQJVLED-IYBDPMFKSA-N 342.370 1.530 70 40 EDIB COC(=O)COc1ccc(S(=O)(=O)Cl)cc1Br 97952709 UYSFUNYALWEHRJ-UHFFFAOYSA-N 343.582 1.928 70 40 EDIB C[C@@H](NC(=O)C(=O)NCC[C@H](O)c1cccn1C)c1ccccc1 217946625 TUZJGYAEGFVNBU-CJNGLKHVSA-N 329.400 1.442 70 40 EDIB Cc1noc(C)c1C(=O)N1CC[C@@H](Oc2cc(C)n(C)c(=O)c2)C1 217773130 ZRKZCCPAKXXCIT-CYBMUJFWSA-N 331.372 1.592 70 40 EDIB CN(Cc1cnn(C)c1)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 160820694 VTPUICLWAVLLLW-UHFFFAOYSA-N 325.376 1.880 70 40 EDIB O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccco1 217759999 IVKFQVOQGOGPTH-AMTGAGGHSA-N 328.368 1.964 70 40 EDIB Cn1cccc(C(=O)NCCn2ccc(-c3ccsc3)n2)c1=O 217882897 ULQITRKXRFFWNH-UHFFFAOYSA-N 328.397 1.740 70 40 EDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCCC(C)C)[C@H]4C2=O)no1 217726479 KLFYJWOZWHIGPW-TXPWEPMLSA-N 345.399 1.432 70 40 EDIB COCCN1C(=O)CS[C@H]1c1cn(Cc2ccccc2C)nn1 216686776 KWSMJNHLISSRKA-INIZCTEOSA-N 332.429 1.855 70 40 EDIB O=S(=O)(Cl)OC[C@@H](I)C(F)(F)F 100486439 MBMKXUMARAUYHE-UWTATZPHSA-N 338.472 1.853 70 40 EDIB CN1CCC(CCNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 217014328 SPUKTOZCAJNEID-IYBDPMFKSA-N 347.459 1.176 70 40 EDIB COc1cc(-c2nc3c(c(=O)[nH]2)CN(C)CC3)cc(OC)c1OC 216845663 WBWWREMCZFKHCA-UHFFFAOYSA-N 331.372 1.451 70 40 EDIB COc1ccc(S(=O)(=O)NCC[C@H](O)c2cccn2C)c(C)c1 217942690 QVZOIYKASGOCMD-HNNXBMFYSA-N 338.429 1.744 70 40 EDIB CN1CCC[C@@H](C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)C1 216908522 OBHVJKKEVSSIBB-GFCCVEGCSA-N 325.434 1.363 70 40 EDIB O=C(O)[C@@](F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F 103623987 WJSFYFPZPVDQMT-UWTATZPHSA-N 344.107 1.801 70 40 EDIB O=C(/C=C/c1ccc2c(c1)CCO2)NC[C@@H](O)CN1CCCCC1 160402658 FGUIPBMMJLGVFM-QQOXCAACSA-N 330.428 1.598 70 40 EDIB Cn1cnc(S(=O)(=O)NC[C@@H]2CCCN(c3nccs3)C2)c1 218191151 KPQUXIBLYXHNFZ-NSHDSACASA-N 341.462 1.072 70 40 EDIB O=[N+]([O-])c1ccc(C2=NN[C@H]3S[C@H](CBr)CN23)cc1 51353979 HAFPBHWNRUNWCQ-MWLCHTKSSA-N 343.206 1.956 70 40 EDIB COC[C@](C)(O)CNS(=O)(=O)c1ccccc1OC(F)(F)F 217572495 OEQPFKOCSJVQJN-LLVKDONJSA-N 343.323 1.261 70 40 EDIB O=C([C@H]1CCOC1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217847613 UKYKEGKKHDORGE-STQMWFEESA-N 343.387 1.344 70 40 EDIB CN(C)c1ccc(NC(=O)C(=O)NCC[C@@H](O)c2ccsc2)cc1 217542365 HGFNVCOADBAOLF-OAHLLOKOSA-N 347.440 1.993 70 40 EDIB O=C(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)F 103624002 MCCROMBOHGNWRM-UHFFFAOYSA-N 344.107 1.801 70 40 EDIB Cc1noc(-c2cn(CCNC(=O)c3ccc4ccccc4n3)nn2)n1 217467819 XCXZTCLEFRPUPZ-UHFFFAOYSA-N 349.354 1.615 70 40 EDIB O=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2ccccc2F)C1 217787578 PHQFUHKITYLMDH-SECBINFHSA-N 344.389 1.284 70 40 EDIB COc1nn(C)cc1C(=O)NCCn1ccc(-c2ccsc2)n1 217886732 QICCUOSSCRMDGI-UHFFFAOYSA-N 331.401 1.784 70 40 EDIB Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)Cl 100649833 GILWTPSDENSDSJ-MRVPVSSYSA-N 337.806 1.235 70 40 EDIB CCCn1ncc(S(=O)(=O)Cl)c1I 408717522 FLCGSJCKUNVUAO-UHFFFAOYSA-N 334.566 1.825 70 40 EDIB CC(C)(C)c1nsc(NC2CCN(CCS(C)(=O)=O)CC2)n1 159412521 CEJWJGUQQBQHIO-UHFFFAOYSA-N 346.522 1.757 70 40 EDIB COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(C(=O)OC)cc2)C1 217554507 BYUJICLCYZLDOZ-CYBMUJFWSA-N 337.397 1.594 70 40 EDIB O=C(c1ccc(F)c(F)c1)N1CC[C@@H](N2C(=O)CSC2=O)C1 217781768 HNFBXFSHHNDSQO-SECBINFHSA-N 326.324 1.875 70 40 EDIB CN1CCC(CCNC(=O)c2ccc(N3CCOCC3)cc2)CC1 216945536 GBZBGZKPIFEAIG-UHFFFAOYSA-N 331.460 1.985 70 40 EDIB COc1cncc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 1615057825 KLIXHTMXGWZZHT-UHFFFAOYSA-N 346.361 1.549 70 40 EDIB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccn3nccc3c2)cc1 217955364 GOMJGTPGHYVQPH-UHFFFAOYSA-N 344.396 1.837 70 40 EDIB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Cl 100650024 SPJFNOAZDDKKCG-UHFFFAOYSA-N 339.822 1.553 70 40 EDIB Cc1nnsc1C(=O)N1[C@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 217760376 JPUKJQXFEFOMDU-UWVGGRQHSA-N 334.401 1.131 70 40 EDIB COc1ccc(C(=O)NCCn2cc(-c3nc(C)no3)nn2)cc1F 217467081 RIMMBFFQMNDDSY-UHFFFAOYSA-N 346.322 1.214 70 40 EDIB COc1cccc(N(CC(=N)N)S(=O)(=O)c2ccc(F)cc2)c1 217352610 YSMIZLKZVPNCKH-UHFFFAOYSA-N 337.376 1.966 70 40 EDIB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H]1CCCN1c1ccccc1 217866082 NQQSAJBRFDPEOS-INIZCTEOSA-N 348.472 1.984 70 40 EDIB O=C(/C=C/c1ccco1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217719830 BDDAIWFTHRPLMJ-FHFZEBMASA-N 326.352 1.455 70 40 EDIB COCCN1C(=O)CS[C@H]1c1cn(Cc2ccc(C)cc2)nn1 216686995 VLZVKWYUFBNNOX-INIZCTEOSA-N 332.429 1.855 70 40 EDIB Cc1cc(OC2CN(C(=O)COc3ccccc3F)C2)cc(=O)n1C 217755480 WXAAOVONRNZEIP-UHFFFAOYSA-N 346.358 1.501 70 40 EDIB O=C(/C=C/c1cccs1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217720595 WALGZJANYPUMLK-JSMHICHCSA-N 342.420 1.923 70 40 EDIB CC(=O)Nc1ccc(C(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1 217785020 GHPNTWPRCKJNII-ZDUSSCGKSA-N 347.396 1.555 70 40 EDIB Cc1cc(S(=O)(=O)Cl)ccc1OCC(=O)N1CCOCC1 100010213 WVKXJBYHSIGIDR-UHFFFAOYSA-N 333.793 1.160 70 40 EDIB O=C(Nc1cnn(CC2CCOCC2)c1)c1c[nH]c(=O)c(Cl)c1 218231505 MPSZDMYSCZUBTQ-UHFFFAOYSA-N 336.779 1.904 70 40 EDIB CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccc2ncccc2c1 160497686 VNGAIZPSYQNFDG-HOCLYGCPSA-N 347.440 1.683 70 40 EDIB CCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)NCCOC 95698139 WWGFXRJIYXFUFU-UHFFFAOYSA-N 336.797 1.781 70 40 EDIB Nc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43 217481003 NRGHCWQGTHPFTE-SZQVNVPASA-N 349.434 1.675 70 40 EDIB COC(=O)CS[C@H]1CCN(C(=O)COc2ccccc2OC)C1 217555301 DVMCYCBUYBRLCC-LBPRGKRZSA-N 339.413 1.581 70 40 EDIB O=C(NCC[C@@H](O)c1ccsc1)C(=O)Nc1ccc2c(c1)OCO2 217542546 RJMCMYOTNYQIAF-GFCCVEGCSA-N 348.380 1.655 70 40 EDIB CCCc1nnsc1C(=O)N1CC[C@@H](SCC(=O)OC)C1 217554047 QWIRPGWJCFMNNT-SECBINFHSA-N 329.447 1.611 70 40 EDIB COC(=O)CS[C@@H]1CCN(C(=O)COc2ccccc2OC)C1 217555376 DVMCYCBUYBRLCC-GFCCVEGCSA-N 339.413 1.581 70 40 EDIB O=S(=O)(F)c1cc(S(=O)(=O)N2CC(F)(F)C2)ccc1F 1776011227 SNSXEAVOGGLFAU-UHFFFAOYSA-N 333.284 1.124 70 40 EDIB Cc1[nH]c2c3ccccc3nn2c(=O)c1CCC(=O)Nc1nc[nH]n1 218560839 YWHGLCYIBQJMQF-UHFFFAOYSA-N 337.343 1.174 70 40 EDIB COc1ccc(C)cc1S(=O)(=O)NCC[C@@H](O)c1cccn1C 217942588 IJCJXCCCTCYJOM-CQSZACIVSA-N 338.429 1.744 70 40 EDIB O=C1COc2c(cc(Br)cc2S(=O)(=O)Cl)N1 105658997 AOASCYPMZUHBDT-UHFFFAOYSA-N 326.555 1.708 70 40 EDIB O=C(c1ccc2cc[nH]c2c1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217730301 LCUJVJRWZSPTQV-HZPDHXFCSA-N 349.390 1.944 70 40 EDIB O=C(Cc1ccsc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217734768 ZWYZXEVWJGVGRZ-ZIAGYGMSSA-N 330.409 1.453 70 40 EDIB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=N)N)C2)cc1OC 217360084 TXBDYVWOIKSQJI-SNVBAGLBSA-N 327.406 1.040 70 40 EDIB CN1CCC(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)CC1 216844045 FCNJBCQGRUNLMS-UHFFFAOYSA-N 346.456 1.459 70 40 EDIB CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1nccc2ccccc12 160681936 QOKCSOKQUHZFFQ-UKRRQHHQSA-N 347.440 1.683 70 40 EDIB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@H](N2C(=O)CSC2=O)C1 217786510 OUJIFLYUQSEMSI-NSHDSACASA-N 348.380 1.254 70 40 EDIB COc1ccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CC3)[C@H]4C2=O)cc1 217724830 ZSTRBARPVXWWDN-JEWRLFTDSA-N 340.379 1.260 70 40 EDIB Cc1cc(C)c(C)c(OCC(=O)NCCCN2CCN(C)CC2)c1 217012257 GCFKRYQJPIGVFE-UHFFFAOYSA-N 333.476 1.744 70 40 EDIB O=C(c1ccno1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217836378 CZRPLADRPLWXPK-NSHDSACASA-N 340.343 1.610 70 40 EDIB CCN1C(=O)CS[C@H]1c1cn(Cc2cccc(C(=O)OC)c2)nn1 216754215 LOOHPXKAUJZTOC-HNNXBMFYSA-N 346.412 1.707 70 40 EDIB COC(=O)Nc1ccc(S(=O)(=O)N2CCc3oncc3C2)cc1 217695327 FTLBZEVUALKAQN-UHFFFAOYSA-N 337.357 1.600 70 40 EDIB O=C(CCc1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1 217607301 OXTLIAKITFLMRA-UHFFFAOYSA-N 338.411 1.788 70 40 EDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCCC(C)C)[C@H]4C2=O)no1 217726549 KLFYJWOZWHIGPW-FHIHXZLISA-N 345.399 1.432 70 40 EDIB O=c1[nH]c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)nc2ccccc12 217563645 LTQWZVKMMYOFHQ-UONOGXRCSA-N 348.406 1.704 70 40 EDIB O=S(=O)(c1cccnc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217820037 WFJNJGMGNJQUKP-LBPRGKRZSA-N 348.428 1.985 70 40 EDIB COCCNC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1 216896051 OLDOJUIYIYHBJJ-UHFFFAOYSA-N 333.432 1.733 70 40 EDIB O=C(Cc1ccsc1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217734588 ZWYZXEVWJGVGRZ-OKILXGFUSA-N 330.409 1.453 70 40 EDIB COC(=O)c1ccc(S(=O)(=O)N2CCc3ncncc3C2)cc1 217627251 OEQUSQNQMLXGCT-UHFFFAOYSA-N 333.369 1.010 70 40 EDIB CN(C)S(=O)(=O)N(Cc1ccco1)Cc1nn(C)c2c1CCC2 217906891 ROGQNJKFFFXRMF-UHFFFAOYSA-N 338.433 1.310 70 40 EDIB O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(S(=O)(=O)F)cc1 585126152 QJVOZMPYVNQCMJ-WFASDCNBSA-N 343.376 1.413 70 40 EDIB O=C(Cc1ccc(F)cc1)N1Cc2cnc(N3CCOCC3)nc2C1 217607741 FKFQJJJKNHYZCF-UHFFFAOYSA-N 342.374 1.537 70 40 EDIB CC(=O)OC[SiH]1O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 225459566 OOQGSKIPHIDLAN-UHFFFAOYSA-N 340.629 1.495 70 40 EDIB COc1ccc(S(=O)(=O)Cl)cc1CN(C)S(C)(=O)=O 110749357 NAJRWQDTGYQIQS-UHFFFAOYSA-N 327.811 1.014 70 40 EDIB O=C(c1cnn2c1CCCC2)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 217978026 CGJNARVAZINNLS-OAHLLOKOSA-N 342.443 1.860 70 40 EDIB Cc1ccc(NC(=O)C(=O)NCC[C@H](O)c2cccn2C)cc1C 217947110 RSIOIANXTFRDDF-INIZCTEOSA-N 329.400 1.820 70 40 EDIB CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccc2ncccc2c1 160497577 VNGAIZPSYQNFDG-GOEBONIOSA-N 347.440 1.683 70 40 EDIB Cc1cc(OC2CN(C(=O)c3cc(-c4ccco4)[nH]n3)C2)cc(=O)o1 217751783 CCSRPTCRWVGATH-UHFFFAOYSA-N 341.323 1.835 70 40 EDIB Cc1ccc(C)n1CC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217719229 QIGYKIMDJSTNRW-JKSUJKDBSA-N 325.412 1.913 70 40 EDIB O=C(O)CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1595015337 TYVJCIOJFXNHMV-VIFPVBQESA-N 332.353 1.390 70 40 EDIB O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(S(=O)(=O)F)cc1 585126151 QJVOZMPYVNQCMJ-SWLSCSKDSA-N 343.376 1.413 70 40 EDIB COC(=O)c1ccc(Cn2cc([C@@H]3SCC(=O)N3C)nn2)cc1 216752367 KRQWODDZTVICLS-AWEZNQCLSA-N 332.385 1.317 70 40 EDIB NC(=O)COc1ccc(S(=O)(=O)Cl)cc1Br 100857868 HTCGNKKBAPCWFR-UHFFFAOYSA-N 328.571 1.241 70 40 EDIB COCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216890670 BTZZLAIOUVGCTA-UHFFFAOYSA-N 346.408 1.868 70 40 EDIB COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2ccccc2F)C1 217566191 DNYXUMBSVGYGLM-SNVBAGLBSA-N 333.406 1.495 70 40 EDIB C[C@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)CN1CCCC1 159400030 XWXXNOBHLSKYSZ-QGZVFWFLSA-N 345.491 1.641 70 40 EDIB COC(=O)c1cccc(Cn2cc([C@H]3SCC(=O)N3C)nn2)c1 216752296 FIFORYUCPSHEKB-CQSZACIVSA-N 332.385 1.317 70 40 EDIB Cn1cccc1[C@H](O)CCNS(=O)(=O)c1ccc(F)c(F)c1 217941881 HSPWXVUGOMJITH-CQSZACIVSA-N 330.356 1.705 70 40 EDIB CC[C@H](Oc1ccccc1OC)C(=O)NCCCN1CCN(C)CC1 217033890 JMDIXHFTJGFSFJ-INIZCTEOSA-N 349.475 1.606 70 40 EDIB O=C(COc1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1 217607415 MDBZAQBPPFVBPF-UHFFFAOYSA-N 340.383 1.234 70 40 EDIB Cc1ccc(S(=O)(=O)N2CC(N3C(=O)CCC3=O)C2)cc1Cl 217717605 VFHMBLSKARKBBB-UHFFFAOYSA-N 342.804 1.170 70 40 EDIB O=C(Cc1ccsc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217734675 ZWYZXEVWJGVGRZ-KBPBESRZSA-N 330.409 1.453 70 40 EDIB Cc1noc(C)c1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217731079 ORLOHVLRHWDPAQ-STQMWFEESA-N 329.356 1.067 70 40 EDIB COc1cc(COCC2CCN(S(C)(=O)=O)CC2)cc(OC)c1 217462544 PSVWSFMBLWITNO-UHFFFAOYSA-N 343.445 1.892 70 40 EDIB O=S(=O)(N1CCCC1)N1CC(n2cc(-c3ccccc3)nn2)C1 217675032 UJWMRALQFNWDKT-UHFFFAOYSA-N 333.417 1.142 70 40 EDIB CN(C)c1ccc(NC(=O)C(=O)NCC[C@H](O)c2ccsc2)cc1 217542288 HGFNVCOADBAOLF-HNNXBMFYSA-N 347.440 1.993 70 40 EDIB CC(C)Oc1ccc(S(=O)(=O)Cl)cc1C(=O)N1CCOCC1 103612893 FWIURQUENIEMOO-UHFFFAOYSA-N 347.820 1.874 70 40 EDIB COC[C@@](C)(O)CNC(=O)CCc1ccccc1Br 217571295 PWJDEFDZSBWZEA-AWEZNQCLSA-N 330.222 1.895 70 40 EDIB COc1ccc(S(=O)(=O)NCC[C@@H](O)c2cccn2C)c(C)c1 217942789 QVZOIYKASGOCMD-OAHLLOKOSA-N 338.429 1.744 70 40 EDIB COc1cccc(-c2nnc([C@H]3CCCN(S(C)(=O)=O)C3)o2)c1 216652530 IICGHAPEHYESSD-LBPRGKRZSA-N 337.401 1.884 70 40 EDIB O=C(/C=C/c1cccs1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217720518 WALGZJANYPUMLK-LAELXIFRSA-N 342.420 1.923 70 40 EDIB CN1CCC[C@H](C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)C1 216908545 OBHVJKKEVSSIBB-LBPRGKRZSA-N 325.434 1.363 70 40 EDIB O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2nnnn2-c2ccccc2)C1 217566163 HJYHYSDPDUWOCP-LSDHHAIUSA-N 348.410 1.443 70 40 EDIB O=[N+]([O-])c1ccc(C2=NN[C@H]3S[C@@H](CBr)CN23)cc1 51353977 HAFPBHWNRUNWCQ-GXSJLCMTSA-N 343.206 1.956 70 40 EDIB O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(S(=O)(=O)F)cc1 585126150 QJVOZMPYVNQCMJ-IUODEOHRSA-N 343.376 1.413 70 40 EDIB O=C(Cc1cccs1)N1Cc2cnc(N3CCOCC3)nc2C1 217606871 RZJBKELODVOJLO-UHFFFAOYSA-N 330.413 1.460 70 40 EDIB O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCN(Cc2ccccn2)CC1 161264626 RMRBAGMOWRENLR-AEFFLSMTSA-N 344.459 1.866 70 40 EDIB Cc1ccc(NC(=O)C(=O)NCC[C@@H](O)c2cccn2C)cc1C 217947187 RSIOIANXTFRDDF-MRXNPFEDSA-N 329.400 1.820 70 40 EDIB COCc1cc(N2CCC[C@@H]2CN2CCCCC2)n2ncnc2n1 160462059 FKTAQFBGOGJRNX-OAHLLOKOSA-N 330.436 1.725 70 40 EDIB Cc1ccc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)cc1C 217032451 QTHPUWRWNPDYDV-QGZVFWFLSA-N 333.476 1.824 70 40 EDIB Cc1cccc(S(=O)(=O)N2CC(Oc3cc(C)n(C)c(=O)c3)C2)c1 217757225 WAUIVGFEAVISMM-UHFFFAOYSA-N 348.424 1.454 70 40 EDIB Cc1noc(-c2cn(CCNC(=O)[C@@H](C)Oc3ccccc3)nn2)n1 217467297 SDOVYPNPRSJVMG-LLVKDONJSA-N 342.359 1.220 70 40 EDIB O=[N+]([O-])c1ccc(C2=NN[C@@H]3S[C@H](CBr)CN23)cc1 51353980 HAFPBHWNRUNWCQ-KOLCDFICSA-N 343.206 1.956 70 40 EDIB CN1CCC(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 216895995 QJLFSCWSZPRUBQ-UHFFFAOYSA-N 345.443 1.829 70 40 EDIB COC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1 216847830 KQYRCCNGTXSBQS-UHFFFAOYSA-N 327.388 1.759 70 40 EDIB COc1ccc(CC(=O)NCC[C@@H](O)c2cccn2C)cc1OC 217936504 VABMURDAUMOZDF-OAHLLOKOSA-N 332.400 1.825 70 40 EDIB O=C(c1cc(C2CC2)on1)N1Cc2cnc(N3CCOCC3)nc2C1 217609729 YNSHBYUUXQDKPV-UHFFFAOYSA-N 341.371 1.335 70 40 EDIB COc1ccc(CC(=O)N2CC(Oc3nccs3)C2)cc1OC 218770808 ILXSNBXOMHJSKB-UHFFFAOYSA-N 334.397 1.993 70 40 EDIB Cc1ccc(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)c(C)c1 217032895 WDEGBSWKSYSSLV-KRWDZBQOSA-N 333.476 1.824 70 40 EDIB C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(Cc2ccccn2)CC1 160370155 YDRHAESWUMHPPE-OAHLLOKOSA-N 334.464 1.706 70 40 EDIB C[C@](O)(CNC(=O)CN1C(=O)CCC1=O)c1cc2ccccc2s1 217500485 NYHOXMGZVRSHSA-KRWDZBQOSA-N 346.408 1.374 70 40 EDIB Cc1ccc(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)cc1C 217032404 QTHPUWRWNPDYDV-KRWDZBQOSA-N 333.476 1.824 70 40 EDIB COC(=O)c1ccc(Cn2cc([C@H]3SCC(=O)N3C)nn2)cc1 216752414 KRQWODDZTVICLS-CQSZACIVSA-N 332.385 1.317 70 40 EDIB C[C@@H](NC(=O)C(=O)NCC[C@@H](O)c1cccn1C)c1ccccc1 217946812 TUZJGYAEGFVNBU-CZUORRHYSA-N 329.400 1.442 70 40 EDIB O=C(c1ccc(Cl)cc1Cl)N1CC(N2C(=O)CCC2=O)C1 217716816 CKMFMGGZTMSHTK-UHFFFAOYSA-N 327.167 1.967 70 40 EDIB O=C(CCCn1cccn1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217764405 JURWQAFCLUEHNR-LSDHHAIUSA-N 326.400 1.471 70 40 EDIB Cc1c(NC(=O)C2CCN(C)CC2)c(=O)n(-c2ccccc2)n1C 216919862 AASVBSYNQJVRKJ-UHFFFAOYSA-N 328.416 1.765 70 40 EDIB O=C(NC1CC1)[C@@H]1[C@@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 217519072 FLCFGVFZLXTFLR-TVKQPGBESA-N 338.407 1.290 70 40 EDIB Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1 217695647 PIEMUUAGYIKIIL-UHFFFAOYSA-N 339.442 1.560 70 40 EDIB CCOc1ccc(S(=O)(=O)N2CCc3oncc3C2)cc1F 217694986 ZYNTZOVAVCUWFE-UHFFFAOYSA-N 326.349 1.959 70 40 EDIB Cc1noc(C)c1C(=O)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217731164 ORLOHVLRHWDPAQ-CHWSQXEVSA-N 329.356 1.067 70 40 EDIB CCc1ccc(S(=O)(=O)N2CC[C@@H](SCC(=O)OC)C2)cc1 217566877 SZJRAJSUXOSDRL-CYBMUJFWSA-N 343.470 1.918 70 40 EDIB COC(=O)N[C@@H](C(=O)Nc1ncc(S(=O)(=O)F)s1)C(C)C 1615051237 HZJZTZHBNFMWCE-SSDOTTSWSA-N 339.370 1.120 70 40 EDIB Cn1cccc1[C@H](O)CCNC(=O)c1cc2ccccc2oc1=O 217935955 BTHAHNRYHIGMIB-OAHLLOKOSA-N 326.352 1.985 70 40 EDIB COC(=O)CS[C@H]1CCN(C(=O)c2ccc(C(=O)OC)cc2)C1 217554591 BYUJICLCYZLDOZ-ZDUSSCGKSA-N 337.397 1.594 70 40 EDIB Cn1nc(CN(Cc2ccco2)C(=O)N2CCNC2=O)c2c1CCC2 217906478 MACVETKMYRJWOY-UHFFFAOYSA-N 343.387 1.649 70 40 EDIB Cn1cccc1[C@@H](O)CCNS(=O)(=O)c1ccc(F)c(F)c1 217941967 HSPWXVUGOMJITH-AWEZNQCLSA-N 330.356 1.705 70 40 EDIB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC[C@H](Cn2cnnn2)CC1 218270450 WEQRZOKGXZLIQM-TXEJJXNPSA-N 329.360 1.847 70 40 EDIB O=C(Nc1ccc(F)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217735847 GTSQSIJTBOCJTF-GASCZTMLSA-N 343.358 1.993 70 40 EDIB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)C1(c2ccccc2)CCOCC1 217603197 AEUBUWQOXQRXAM-CVEARBPZSA-N 347.411 1.524 70 40 EDIB O=S(=O)(Cl)c1cc(S(=O)(=O)Cl)c(Cl)cc1O 100433737 MBJBMJXGDNPADH-UHFFFAOYSA-N 325.578 1.901 70 40 EDIB O=C(c1ccc(F)c(F)c1)N1CC[C@H](N2C(=O)CSC2=O)C1 217781675 HNFBXFSHHNDSQO-VIFPVBQESA-N 326.324 1.875 70 40 EDIB COCCN1C(=O)CS[C@H]1c1cn(Cc2cccc(F)c2)nn1 216688956 AWADRAQFNATZIL-HNNXBMFYSA-N 336.392 1.686 70 40 EDIB O=C(c1ccno1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217836315 CZRPLADRPLWXPK-LLVKDONJSA-N 340.343 1.610 70 40 EDIB CCOCC(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217839555 VOFGWVMAJJUJQJ-GFCCVEGCSA-N 331.376 1.344 70 40 EDIB COc1cc(CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)on1 217663194 AUEXIFRSRQIDGW-QWHCGFSZSA-N 343.383 1.423 70 40 EDIB COc1cccc2cc(C(=O)N3CC[C@@H](n4ccnn4)C3)c(=O)oc12 217688156 MKFJJSZTMFTUSW-GFCCVEGCSA-N 340.339 1.480 70 40 EDIB O=C(CNC(=O)c1ccccc1)Nc1cnn(CC2CCOCC2)c1 218197351 FMGCPXNWGPTRSM-UHFFFAOYSA-N 342.399 1.678 70 40 EDIB COc1cc(CCC(=O)N(C)C)c(S(=O)(=O)Cl)cc1OC 100026947 AVEMQJFMSKTYBZ-UHFFFAOYSA-N 335.809 1.652 70 40 EDIB COc1nn(C)cc1C(=O)NC[C@@H]1CCCN(c2nccs2)C1 218116421 TUUUZSKSDNPJLL-NSHDSACASA-N 335.433 1.532 70 40 EDIB Cc1cc(S(=O)(=O)NCC[C@@H](O)c2cccn2C)ccc1F 217941758 WENOAPKLSURFLR-OAHLLOKOSA-N 326.393 1.875 70 40 EDIB CN1C[C@@]2(C)CN(C(=S)NC(=O)c3ccccc3)C[C@@](C)(C1)[C@H]2O 217837071 IBVLDUKDULBWAB-XGWQRUHWSA-N 347.484 1.336 70 40 EDIB Cc1ccc(CNC(=O)c2cn(C[C@H](O)c3ccccc3F)nn2)o1 217475838 AKAVNTVCVFJJAF-INIZCTEOSA-N 344.346 1.982 70 40 EDIB Cc1noc(C)c1CCNC(=O)N1CCN(Cc2ccccn2)CC1 160099489 SMHGTNUARINRRP-UHFFFAOYSA-N 343.431 1.756 70 40 EDIB COCCN1C(=O)CS[C@H]1c1cn(Cc2cccc(OC)c2)nn1 216687627 RYRBMXUKOJQNRS-INIZCTEOSA-N 348.428 1.555 70 40 EDIB COC(=O)c1cc(NC(=O)C2CCN(C)CC2)cc(C(=O)OC)c1 216921167 XWVYDUXZUGJLRL-UHFFFAOYSA-N 334.372 1.540 70 40 EDIB CC[C@@H](NC(=O)C1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 216924932 VFJUWGRCYVBNGI-MRXNPFEDSA-N 338.473 1.999 70 40 EDIB CC(C)c1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)[nH]n1 217713032 RIKLHWJVPPHCPR-QWHCGFSZSA-N 326.400 1.954 70 40 EDIB O=C(CCN1C(=O)C=CC1=O)Oc1c(F)c(F)c(F)c(F)c1F 223641251 CPVAMZASRXMNDX-UHFFFAOYSA-N 335.184 1.603 70 40 EDIB COc1ccc(N(CC(=N)N)S(=O)(=O)c2ccc(F)cc2)cc1 217352498 LZFMHXXCTJKOPS-UHFFFAOYSA-N 337.376 1.966 70 40 EDIB COc1nn(C)cc1C(=O)NC[C@H]1CCCN(c2nccs2)C1 218116527 TUUUZSKSDNPJLL-LLVKDONJSA-N 335.433 1.532 70 40 EDIB Cc1ccc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c(C)c1 217032936 WDEGBSWKSYSSLV-QGZVFWFLSA-N 333.476 1.824 70 40 EDIB COc1ccccc1-c1nnc([C@H]2CCCN(S(C)(=O)=O)C2)o1 216650307 OMCYIOWKVHWFFQ-NSHDSACASA-N 337.401 1.884 70 40 EDIB Cn1nc(CN(Cc2ccco2)C(=O)N2CCOCC2)c2c1CCC2 217906275 KZBHLYKGHNRQMX-UHFFFAOYSA-N 344.415 1.956 70 40 EDIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CCCC3)[C@H]4C2=O)no1 217718450 IFVLHOGIVFTUQH-TXPWEPMLSA-N 343.383 1.328 70 40 EDIB CCN1C(=O)CS[C@H]1c1cn(Cc2ccc(C(=O)OC)cc2)nn1 216754342 VAGGPFWXVWLWAO-HNNXBMFYSA-N 346.412 1.707 70 40 EDIB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC[C@H](Cn2cnnn2)CC1 218180888 XGIQMPQJEDMFPR-BETUJISGSA-N 343.387 1.889 70 40 EDIB Cc1noc(C)c1C(=O)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217730990 ORLOHVLRHWDPAQ-BETUJISGSA-N 329.356 1.067 70 40 EDIB Cc1noc([C@@H]2COCCN2Cc2cccc(C(=O)N(C)C)c2)n1 160917615 IYEHAXTZZOFWSV-HNNXBMFYSA-N 330.388 1.653 70 40 EDIB COc1cc(OC)c(S(=O)(=O)Cl)cc1S(=O)(=O)Cl 100274187 SDKJJAKGOABBBD-UHFFFAOYSA-N 335.186 1.559 70 40 EDIB Cc1cc(F)ccc1S(=O)(=O)NCC[C@H](O)c1cccn1C 217941485 MTSAAVRHWYCBLQ-AWEZNQCLSA-N 326.393 1.875 70 40 EDIB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)C1(c2ccccc2)CCOCC1 217603104 AEUBUWQOXQRXAM-JKSUJKDBSA-N 347.411 1.524 70 40 EDIB O=C(c1cc2ccccc2[nH]1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217729681 DJFYEWPYMFRPQG-GJZGRUSLSA-N 349.390 1.944 70 40 EDIB CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1nccc2ccccc12 160682270 QOKCSOKQUHZFFQ-ZFWWWQNUSA-N 347.440 1.683 70 40 EDIB O=C(CCc1ccc(S(=O)(=O)F)cc1)NC[C@H](O)C(F)(F)F 1616038002 OCGCKFPPAUIVQQ-JTQLQIEISA-N 343.298 1.317 70 40 EDIB COCCN1C(=O)CS[C@H]1c1cn(Cc2ccc(F)cc2)nn1 216687513 ZKDDOQTUKNBDRN-HNNXBMFYSA-N 336.392 1.686 70 40 EDIB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(C)C1 216910305 GYIRVNLMJBKOSQ-LLVKDONJSA-N 336.388 1.771 70 40 EDIB COc1ccc(S(=O)(=O)NCC(C)C)cc1S(=O)(=O)Cl 218270457 IDIPDECFUDZQAO-UHFFFAOYSA-N 341.838 1.557 70 40 EDIB Cn1nc(C(=O)NCCn2ccc(-c3ccsc3)n2)ccc1=O 217882995 UAXWXFQEVIFYQC-UHFFFAOYSA-N 329.385 1.135 70 40 EDIB C[C@H](NC(=O)C(=O)NCC[C@@H](O)c1cccn1C)c1ccccc1 217946727 TUZJGYAEGFVNBU-XJKSGUPXSA-N 329.400 1.442 70 40 EDIB Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccn4nccc4c3)cc21 217962453 KGAOPIHMZGESGO-UHFFFAOYSA-N 344.352 1.580 70 40 EDIB C[C@@](O)(CNC(=O)C(=O)NC1CCCC1)c1cc2ccccc2o1 218001965 NRELHGXDHFCPGX-GOSISDBHSA-N 330.384 1.815 70 40 EDIB Cc1cc(F)ccc1S(=O)(=O)NCC[C@@H](O)c1cccn1C 217941571 MTSAAVRHWYCBLQ-CQSZACIVSA-N 326.393 1.875 70 40 EDIB CSc1ccc(S(=O)(=O)Cl)cc1C(=O)N1CCOCC1 225170845 UJYFWHCNAGGIMB-UHFFFAOYSA-N 335.834 1.808 70 40 EDIB O=C([C@@H]1CCOC1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217847458 UKYKEGKKHDORGE-QWHCGFSZSA-N 343.387 1.344 70 40 EDIB O=C(c1nnn(Cc2ccccc2)c1-n1cccc1)N1CCOCC1 217471873 LWEYGZDENRVCFA-UHFFFAOYSA-N 337.383 1.590 70 40 EDIB O=C(NCC[C@@H](O)c1ccsc1)C(=O)NCc1ccc(F)cc1 217541790 GLSOZTNYAVJQQS-CQSZACIVSA-N 336.388 1.743 70 40 EDIB CCc1cc(S(=O)(=O)Cl)ccc1OCC(=O)N1CCOCC1 110749264 VONOZJPEGQUUFW-UHFFFAOYSA-N 347.820 1.414 70 40 EDIB COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1 216910126 NYIFDVFQIQPCAW-CQSZACIVSA-N 333.432 1.733 70 40 EDIB CC(C)c1ccc(OCc2nnnn2C)c(S(=O)(=O)Cl)c1 110749416 IEUMKGZASLORJS-UHFFFAOYSA-N 330.797 1.840 70 40 EDIB O=S(=O)(F)c1cc(S(=O)(=O)NCC2CCC2)ccc1F 1776011240 VIMFRGFKCIDIBM-UHFFFAOYSA-N 325.358 1.562 70 40 EDIB CN1CCC(C(=O)NCc2ccccc2CN2CCCC2=O)CC1 216924118 HIADHFPGIUBABT-UHFFFAOYSA-N 329.444 1.767 70 40 EDIB COC(=O)c1cc(NC(=O)CC2CCN(C)CC2)cc(C(=O)OC)c1 216897166 FZGQIPHGQQLNLI-UHFFFAOYSA-N 348.399 1.930 70 40 EDIB O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](N2C(=O)CSC2=O)C1 217786583 OUJIFLYUQSEMSI-LLVKDONJSA-N 348.380 1.254 70 40 EDIB O=C(O)[C@](F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F 103623985 WJSFYFPZPVDQMT-REOHCLBHSA-N 344.107 1.801 70 40 EDIB Cc1ncn(CC(=O)NC[C@@H]2CCCN2c2ccccc2)c(=O)c1C 217845670 VDAGKTUQRQBCHM-KRWDZBQOSA-N 340.427 1.645 70 40 EDIB COc1ccc(F)cc1S(=O)(=O)NCC[C@@H](O)c1cccn1C 217942883 ZJVKYWGCITXHAG-CYBMUJFWSA-N 342.392 1.575 70 40 EDIB O=S(=O)(F)c1cc(S(=O)(=O)N2CCC(F)CC2)ccc1F 1776011247 WCFFBZVVHKAQPB-UHFFFAOYSA-N 343.348 1.607 70 40 EDIB CCN(CC)S(=O)(=O)c1cc(S(=O)(=O)Cl)ccc1C 100556491 WEGACJCCJHXDCD-UHFFFAOYSA-N 325.839 1.953 70 40 EDIB O=S(=O)(c1cccnc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217819951 WFJNJGMGNJQUKP-GFCCVEGCSA-N 348.428 1.985 70 40 EDIB O=C(Cn1cccn1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 218276348 DTDJYXDJZOYEEF-AWEZNQCLSA-N 339.355 1.558 70 40 EDIB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)C1(c2ccccc2)CCOCC1 217603266 AEUBUWQOXQRXAM-HOTGVXAUSA-N 347.411 1.524 70 40 EDIB Cn1cc(CCCNC(=O)N2CCN(Cc3ccccn3)CC2)cn1 159975828 NCTIJVWTZFGWGW-UHFFFAOYSA-N 342.447 1.275 70 40 EDIB COC(=O)c1ccc(S(=O)(=O)Nc2ccn3nccc3c2)cc1 217962026 HVUKPWGQEXYLSJ-UHFFFAOYSA-N 331.353 1.922 70 40 EDIB CSc1ncccc1C(=O)N1CC(Oc2cc(C)n(C)c(=O)c2)C1 217755371 CMKKNLIGSHMUMC-UHFFFAOYSA-N 345.424 1.714 70 40 EDIB COc1ccccc1CC(=O)NCCn1cc(-c2nc(C)no2)nn1 217465910 VJNLCHCMJPPCJR-UHFFFAOYSA-N 342.359 1.004 70 40 EDIB COC(=O)c1ccccc1Nc1cc(N2CCN(C)CC2)ncn1 216847796 OMINLDHHMRKUCI-UHFFFAOYSA-N 327.388 1.759 70 40 EDIB Cc1ccc(CNC(=O)c2cn(C[C@@H](O)c3ccccc3F)nn2)o1 217475908 AKAVNTVCVFJJAF-MRXNPFEDSA-N 344.346 1.982 70 40 EDIB COc1cc(CCNC(=O)C(C)C)c(S(=O)(=O)Cl)cc1OC 100026994 HLGNRPDKYKZUEX-UHFFFAOYSA-N 349.836 1.946 70 40 EDIB COC(=O)CS[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)n2)C1 217562807 ZIRJVPGZDNHNDP-CYBMUJFWSA-N 346.412 1.388 70 40 EDIB CCOc1ccccc1C(=O)N1CC(Oc2cc(C)n(C)c(=O)c2)C1 217755278 GFIYGYQRKCTXBF-UHFFFAOYSA-N 342.395 1.996 70 40 EDIB CN1CCC(C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 216924082 SYQPKMZRUZSPGH-UHFFFAOYSA-N 329.444 1.767 70 40 EDIB COCCN1C(=O)CS[C@@H]1c1cn(Cc2ccc(C)cc2)nn1 216686949 VLZVKWYUFBNNOX-MRXNPFEDSA-N 332.429 1.855 70 40 EDIB C[C@@](O)(CNC(=O)C(=O)NCCC1=CCCCC1)Cc1ccco1 217283094 ICVISDACCBAAJC-SFHVURJKSA-N 334.416 1.696 70 40 EDIB O=C(Cn1c(=O)oc2ccccc21)N1CC(Oc2nccs2)C1 218770512 CQGVTWWMJXFVEQ-UHFFFAOYSA-N 331.353 1.341 70 40 EDIB O=C(Cc1ccc(F)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217720327 RBKGVQACQJVLED-HOTGVXAUSA-N 342.370 1.530 70 40 EDIB O=C(CCc1ccc(Cl)c(F)c1)N1CC(N2C(=O)CCC2=O)C1 217716383 QMZUIRKCLUDMBZ-UHFFFAOYSA-N 338.766 1.772 70 40 EDIB COC[C@@](C)(O)CNS(=O)(=O)c1ccccc1OC(F)(F)F 217572568 OEQPFKOCSJVQJN-NSHDSACASA-N 343.323 1.261 70 40 EDIB COc1ccc(S(=O)(=O)N2CCCC2)cc1S(=O)(=O)Cl 218270046 BVWUBDITIWTZJU-UHFFFAOYSA-N 339.822 1.407 70 40 EDIB C[C@H](NC(=O)C(=O)NCC[C@H](O)c1cccn1C)c1ccccc1 217946552 TUZJGYAEGFVNBU-BBRMVZONSA-N 329.400 1.442 70 40 EDIB CC(=O)Nc1ccc(C(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1 217785102 GHPNTWPRCKJNII-CYBMUJFWSA-N 347.396 1.555 70 40 EDIB Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 217489197 YKPNOQFLEPGHCY-UHFFFAOYSA-N 332.425 1.898 70 40 EDIB Cc1noc(C)c1S(=O)(=O)Nc1cnn(CC2CCOCC2)c1 218241717 CDARRHYTBXUKEJ-UHFFFAOYSA-N 340.405 1.715 70 40 EDIB O=C([C@@H]1CCOC1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217847537 UKYKEGKKHDORGE-CHWSQXEVSA-N 343.387 1.344 70 40 EDIB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ncn[nH]1 218285087 ZOZJGSPEJIJEDM-NSHDSACASA-N 326.316 1.094 70 40 EDIB O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(S(=O)(=O)F)cc1 585126149 QJVOZMPYVNQCMJ-DOMZBBRYSA-N 343.376 1.413 70 40 EDIB CCOc1ccc(NC(=O)C(=O)NCC[C@H](O)c2cccn2C)cc1 217948247 BFWDKJDHZYTDNN-INIZCTEOSA-N 345.399 1.602 70 40 EDIB COc1ccc(F)cc1S(=O)(=O)NCC[C@H](O)c1cccn1C 217942966 ZJVKYWGCITXHAG-ZDUSSCGKSA-N 342.392 1.575 70 40 EDIB O=C(c1cn(C[C@H](O)c2ccccc2F)nn1)N1CCSCC1 217473492 CATZWZIIJQMKOZ-AWEZNQCLSA-N 336.392 1.340 70 40 EDIB COc1ccc(S(=O)(=O)N(CC(=N)N)c2ccccc2F)cc1 217351412 LPNJIUXDDIVGOD-UHFFFAOYSA-N 337.376 1.966 70 40 EDIB O=C(c1ccccc1C(F)(F)F)N1CC(N2C(=O)CCC2=O)C1 217715706 ONIVJSDUFTYPRZ-UHFFFAOYSA-N 326.274 1.679 70 40 EDIB CC(C)(C)c1nsc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)n1 160062217 CEBXLIXRJIIVAJ-LBPRGKRZSA-N 337.493 1.754 70 40 EDIB O=C(c1c(F)cccc1F)N1Cc2cnc(N3CCOCC3)nc2C1 217613106 KVYQSUUMWYUNJP-UHFFFAOYSA-N 346.337 1.747 70 40 EDIB O=S(=O)(C1CC1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217852862 XAMNZJLMIWNLLP-NSHDSACASA-N 349.416 1.273 70 40 EDIB O=[N+]([O-])c1ccc(C2=NN[C@@H]3S[C@@H](CBr)CN23)cc1 51353978 HAFPBHWNRUNWCQ-ONGXEEELSA-N 343.206 1.956 70 40 EDIB O=C(/C=C/c1cccs1)N1Cc2cnc(N3CCOCC3)nc2C1 217607864 MAILYENZBKVQKP-ONEGZZNKSA-N 342.424 1.930 70 40 EDIB O=C(Cc1c(F)cccc1Cl)N1CC(N2C(=O)CSC2=O)C1 217746186 NIOGHRFHGSIBNW-UHFFFAOYSA-N 342.779 1.928 70 40 EDIB CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccc2ncccc2c1 160497328 VNGAIZPSYQNFDG-GDBMZVCRSA-N 347.440 1.683 70 40 EDIB Cc1cc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c(C)o1 217606756 CYHYAOKCUYGGNX-UHFFFAOYSA-N 328.372 1.679 70 40 EDIB CC[C@H](NC(=O)C1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 216924955 VFJUWGRCYVBNGI-INIZCTEOSA-N 338.473 1.999 70 40 EDIB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)CCc1ccccc1)C2 217676225 RLFVWEMUYDROQW-HOTGVXAUSA-N 336.457 1.690 70 40 EDIB CCc1ccc(S(=O)(=O)N2CC[C@H](SCC(=O)OC)C2)cc1 217566786 SZJRAJSUXOSDRL-ZDUSSCGKSA-N 343.470 1.918 70 40 EDIB Cc1nn(C)c(C)c1CN1CCN(C(=O)CCc2ccco2)CC1 217211618 WILCMCNRJAJQKH-UHFFFAOYSA-N 330.432 1.907 70 40 EDIB Cn1cccc1[C@H](O)CCNC(=O)C(=O)NCc1ccc(F)cc1 217947308 WAIAJXYDYMTMJV-OAHLLOKOSA-N 333.363 1.020 70 40 EDIB Cn1cccc1[C@@H](O)CCNS(=O)(=O)c1c(F)cccc1F 217942164 DDKFBKQTJOJFJH-ZDUSSCGKSA-N 330.356 1.705 70 40 EDIB CN1CCC(CCNC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 216940076 GGPVLSVLWYBPBB-UHFFFAOYSA-N 339.461 1.520 70 40 EDIB CCCc1nnsc1C(=O)N1CC[C@H](SCC(=O)OC)C1 217553974 QWIRPGWJCFMNNT-VIFPVBQESA-N 329.447 1.611 70 40 EDIB Cc1noc(C)c1C(=O)N1CC[C@H](Oc2cc(C)n(C)c(=O)c2)C1 217773231 ZRKZCCPAKXXCIT-ZDUSSCGKSA-N 331.372 1.592 70 40 EDIB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cnccn1 218273763 JFIAZCJFKMEWRO-ZDUSSCGKSA-N 337.339 1.765 70 40 EDIB COCc1cc(N2CCC[C@H]2CN2CCCCC2)n2ncnc2n1 160462201 FKTAQFBGOGJRNX-HNNXBMFYSA-N 330.436 1.725 70 40 EDIB O=C(N[C@H](CO)c1ccccc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 218297911 BTEJUQAPUHHZFT-GDBMZVCRSA-N 328.368 1.478 70 40 EDIB CN1CCC(C(=O)NCc2cccc(CN3CCCC3=O)c2)CC1 216924053 ITQLDBIPSSCNFI-UHFFFAOYSA-N 329.444 1.767 70 40 EDIB CNC(=O)COc1ccc(S(=O)(=O)Cl)cc1Br 100857871 MOCRBFMNRCGBTM-UHFFFAOYSA-N 342.598 1.501 70 40 EDIB O=C(c1ccc(F)c(F)c1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217720885 DILLUJRMTYJDSK-STQMWFEESA-N 346.333 1.740 70 40 EDIB COCCN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2C)nn1 216686730 KWSMJNHLISSRKA-MRXNPFEDSA-N 332.429 1.855 70 40 EDIB O=C(c1cc2ccccc2[nH]1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217729758 DJFYEWPYMFRPQG-HUUCEWRRSA-N 349.390 1.944 70 40 EDIB O=C(NCCCc1ccccc1)N1CC(N2C(=O)CSC2=O)C1 217748720 WVZDFGAGRJJFRC-UHFFFAOYSA-N 333.413 1.708 70 40 EDIB CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)Cl 95698132 PCRXMAUDYIDCBM-UHFFFAOYSA-N 348.808 1.877 70 40 EDIB O=C(O)CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1595015336 TYVJCIOJFXNHMV-SECBINFHSA-N 332.353 1.390 70 40 EDIB COCCN1C(=O)CS[C@@H]1c1cn(Cc2ccc(F)cc2)nn1 216687470 ZKDDOQTUKNBDRN-OAHLLOKOSA-N 336.392 1.686 70 40 EDIB COc1ccc(-c2nnc([C@H]3CCCN(S(C)(=O)=O)C3)o2)cc1 216654856 JNGQIYIGGNGEKS-LBPRGKRZSA-N 337.401 1.884 70 40 EDIB C[C@@](O)(CNC(=O)C(=O)Nc1ccon1)c1cc2ccccc2s1 217517135 VACYDDLPWUBLFF-MRXNPFEDSA-N 345.380 1.852 70 40 EDIB Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H]1CCCN1c1ccccc1 217866166 NQQSAJBRFDPEOS-MRXNPFEDSA-N 348.472 1.984 70 40 EDIB COC(=O)CS[C@@H]1CCN(C(=O)c2ccc3nsnc3c2)C1 217554718 NBORFTWSKPDEDQ-SNVBAGLBSA-N 337.426 1.812 70 40 EDIB COc1ncccc1C(=O)N1CC[C@@H](Oc2cc(C)n(C)c(=O)c2)C1 217772722 YHSKDFBHVPGOBJ-CYBMUJFWSA-N 343.383 1.391 70 40 EDIB COCCN1C(=O)CS[C@H]1c1cn(Cc2ccccc2F)nn1 216687410 XUXFPNGJZMCXAU-HNNXBMFYSA-N 336.392 1.686 70 40 EDIB O=C(c1ccc(F)c(F)c1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217720970 DILLUJRMTYJDSK-CHWSQXEVSA-N 346.333 1.740 70 40 EDIB O=C1COc2cc(S(=O)(=O)Cl)c(Br)cc2N1 100571519 VZLLYSXSXMBKQS-UHFFFAOYSA-N 326.555 1.708 70 40 EDIB CCS(=O)(=O)N1CCC(c2nnc(-c3cncnc3C)o2)CC1 216638254 RJDXHOPIRJKPBU-UHFFFAOYSA-N 337.405 1.364 70 40 EDIB Cn1cc(CCNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cn1 160507328 PLULLMZOAGQFCY-UHFFFAOYSA-N 346.475 1.944 70 40 EDIB COCCN1C(=O)CS[C@@H]1c1cn(Cc2ccc(OC)cc2)nn1 216688122 ARNUXXBXHRNTMG-MRXNPFEDSA-N 348.428 1.555 70 40 EDIB O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccccc1 217765778 JMIZLFNYGOWHFZ-PBWFPOADSA-N 348.424 1.520 70 40 EDIB Cc1c(NC(=O)[C@H]2CCCN(C)C2)c(=O)n(-c2ccccc2)n1C 216906664 YSSHWIZNTCKWFB-AWEZNQCLSA-N 328.416 1.765 70 40 EDIB COCCN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2OC)nn1 216688016 ZFJGQMLSGDRTNB-MRXNPFEDSA-N 348.428 1.555 70 40 EDIB COc1ccccc1O[C@H](C)C(=O)NCCCN1CCN(C)CC1 217031982 ZNTVNVYCFIMTTO-OAHLLOKOSA-N 335.448 1.216 70 40 EDIB O=C1CSC(=O)N1[C@H]1CCN(S(=O)(=O)c2ccccc2F)C1 217787477 PHQFUHKITYLMDH-VIFPVBQESA-N 344.389 1.284 70 40 EDIB Cc1ccc(C(=O)CCN2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 160965650 SBWIRMLJCIITHQ-GOSISDBHSA-N 343.471 1.982 70 40 EDIB Cc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)N1CCN(C)CC1 216853363 FNMXLDWETPHPLM-UHFFFAOYSA-N 339.461 1.069 70 40 EDIB O=C(CSC1CCCC1)N1Cc2cnc(N3CCOCC3)nc2C1 217613563 FVYZFCOLFXUGON-UHFFFAOYSA-N 348.472 1.831 70 40 EDIB