smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](CN1CCCCC1)OC(=O)c1ccc2c(c1)OCCO2 73940 JDYCICJALHBSHQ-ZDUSSCGKSA-N 305.374 2.489 0 50 DEAA CCOC(=O)[C@H](O)[C@@H]1CCc2c([nH]c3ccc(C)cc23)C1=O 508085 NJWAXXNBRMHVPX-BDJLRTHQSA-N 301.342 2.145 0 50 DEAA CN1CCC[C@@]2(CCCN2C(=O)Cc2ccc(Cl)cc2)C1=O 2356153217 XGDLUQLZANFANT-QGZVFWFLSA-N 320.820 2.496 0 50 DEAA COc1cccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 8234547 JNJQXJNBICSCGJ-LBPRGKRZSA-N 302.374 2.425 0 50 DEAA Cc1c(CN2CC[C@](O)(Cc3ccc(F)cc3)C2)cnn1C 420983684 RFGQCEUHBWQDPX-KRWDZBQOSA-N 303.381 2.047 0 50 DEAA COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c1 100842449 JJWXQESESDNASB-TUVASFSCSA-N 323.348 2.175 0 50 DEAA O=C([C@@H]1CCCNC1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 121584542 JDDJDOGZPFXQKU-IXDOHACOSA-N 302.418 2.101 0 50 DEAA Cc1nn(CC(=O)N(C)c2nncs2)cc1-c1ccccc1 436049175 LLDNWRAMHNRIRO-UHFFFAOYSA-N 313.386 2.373 0 50 DEAA Cc1ccc(C(=O)CCn2nnn(-c3ccccc3)c2=O)cc1 130234834 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Cc1nnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)o1 376395272 KISCMKWDSXVCJI-SECBINFHSA-N 301.272 2.435 0 50 DEAA CC(C)CC1(C)CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 494736163 RDINDKXGKKFONL-AWEZNQCLSA-N 309.454 2.452 0 50 DEAA CC(C)c1noc(-c2ccnc(N(C)C[C@@H](C)C(=O)O)c2)n1 263547787 IJOSUIPIALLCAX-SNVBAGLBSA-N 304.350 2.412 0 50 DEAA O=C1C[C@@H](c2ccccc2)CN1Cc1nc(-c2cccnn2)no1 82108757 URZYJQYCOLKFBH-CYBMUJFWSA-N 321.340 2.043 0 50 DEAA O=C([C@H]1CCc2nncn2C1)N1CCc2cc(Cl)ccc21 329187269 QCEIXEZZHOTRCW-NSHDSACASA-N 302.765 2.083 0 50 DEAA Cc1cc(=O)cc(C(=O)NCc2c[nH]nc2-c2ccccc2)[nH]1 426433716 XIHHOOKIXKOMLJ-UHFFFAOYSA-N 308.341 2.003 0 50 DEAA CC(=O)N1CCC(CNC(=O)Nc2cnn(C(C)(C)C)c2)CC1 180950371 BLBLFEFIBGBPNK-UHFFFAOYSA-N 321.425 2.018 0 50 DEAA O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 91441228 JBRATPNDECXVTH-GOEBONIOSA-N 310.401 2.146 0 50 DEAA C[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@@]1(O)C1CCC1 91807350 MWEMKHSYYCALGD-KDOFPFPSSA-N 303.402 2.465 0 50 DEAA CCn1c(Cn2ccnc2)nnc1C1CCN(CC2CC2)CC1 91689968 WSRLAUQUVNUXOO-UHFFFAOYSA-N 314.437 2.132 0 50 DEAA OC[C@H]1[C@H]2[C@H]3[C@@H]4[C@H]5[C@H](CC[C@@H]52)[C@@H](O)[C@@H]4[C@@H]2[C@H]4CCC[C@H]4[C@@H]1[C@@H]32 247720816 AKYMTYCUHLPLQZ-OLCLVJGDSA-N 300.442 2.396 0 50 DEAA C[C@@H](Cc1cnccn1)N(C)Cc1nc(O)c2sccc2n1 253536502 HFASXDUXUIXDAV-JTQLQIEISA-N 315.402 2.250 0 50 DEAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 255188845 LZMGBAYLZIPNHD-AVGNSLFASA-N 312.410 2.118 0 50 DEAA Cc1nc([C@H]2CCCN2C[C@@H]2CCS(=O)(=O)C2)cs1 253432982 QLYJOYPRDJPZQF-WCQYABFASA-N 300.449 2.023 0 50 DEAA CSCC[C@H](O)C(=O)NCCc1c[nH]c2c(C)cccc12 270783421 KNINGGSYIISYDB-AWEZNQCLSA-N 306.431 2.249 0 50 DEAA CSC(C)(C)[C@H](N)C(=O)N(C)Cc1n[nH]c2c1CCCCC2 1940193561 WWMPBLFWKBDSNV-CQSZACIVSA-N 324.494 2.106 0 50 DEAA CSCCC(=O)Nc1cc(C)ccc1NC(=O)CN(C)C 824892200 MAPQKUUCFRZLAZ-UHFFFAOYSA-N 309.435 2.187 0 50 DEAA O=C1C[C@H](CNC2CSCCSC2)CN1C1CCCC1 828247905 HQRIBWTVFJEJDV-GFCCVEGCSA-N 314.520 2.216 0 50 DEAA CN(C)[C@@H](Cn1cnc2cccnc2c1=O)c1cccs1 584899247 KINMTAFPUCIHQK-LBPRGKRZSA-N 300.387 2.156 0 50 DEAA O=c1c2cc(C(F)(F)F)nn2ccn1Cc1cc(C2CC2)no1 952994283 OIAFFQPHPWXFAF-UHFFFAOYSA-N 324.262 2.429 0 50 DEAA CN(CCc1cccs1)C(=O)C1(c2nn[nH]n2)CCCCC1 1875323914 CSIJGMCFDWTKNQ-UHFFFAOYSA-N 319.434 2.164 0 50 DEAA Cc1nc(O)cc(CNC(=O)c2ccc([C@@H]3CCCO3)s2)n1 952972198 UZWNJXBXAXZNPT-NSHDSACASA-N 319.386 2.334 0 50 DEAA CC(=O)N1C[C@H](NCc2cccnc2C)CC[C@@H]1C(F)(F)F 886054702 KEKHTAUTKUEJHP-ZIAGYGMSSA-N 315.339 2.421 0 50 DEAA Cc1cc(CN(C)Cc2ncc(Br)cc2O)no1 891671036 LDQXSIYSUARXQM-UHFFFAOYSA-N 312.167 2.478 0 50 DEAA CN(C)C(=O)c1ccc(N2CC[C@H](C(C)(C)C)[C@H](O)C2)nc1 273371438 XSMFXSWKEWXNGU-UONOGXRCSA-N 305.422 2.017 0 50 DEAA CCN(C(=O)[C@@H]1CCCO1)[C@@H]1CCN(Cc2ccccc2)C1 186323544 MDZXWGSFZYRBCA-SJORKVTESA-N 302.418 2.288 0 50 DEAA O=C(c1nscc1Br)N1CCCSCC1 404971099 ZXCBOOWNVUGOLE-UHFFFAOYSA-N 307.238 2.485 0 50 DEAA Cc1cc(C(=O)N2CCN(C(=O)CC(C)(F)F)CC2)c(C)o1 277320677 XMFFOTGBOWCGET-UHFFFAOYSA-N 314.332 2.226 0 50 DEAA CC(C)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2N)CC1 170656910 GFPSKTJETPVZTA-UHFFFAOYSA-N 315.339 2.454 0 50 DEAA Cn1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccncc3)on2)cn1 171349186 VFDTUNDIDIPCBI-HNNXBMFYSA-N 323.356 2.447 0 50 DEAA COc1ccc(N2C[C@H](C(=O)N[C@@H]3CC=CCC3)CC2=O)cc1 172480616 QDRUZGQRCMTHTE-ZIAGYGMSSA-N 314.385 2.273 0 50 DEAA COC[C@@H]1CN(Cc2coc(-c3ccc(F)cc3)n2)CCO1 172894118 GZVRRRNBXKFZAM-HNNXBMFYSA-N 306.337 2.328 0 50 DEAA C[C@@H](Cc1cccc(Cl)c1)Nc1ccn(CCC(N)=O)n1 282738401 TYEFTXBVOHCMNA-NSHDSACASA-N 306.797 2.455 0 50 DEAA CO[C@@H]1CN(C(=O)CSCC(=O)c2ccccc2)CC[C@H]1C 187716419 YFAKJDHSOFSEIK-CZUORRHYSA-N 321.442 2.486 0 50 DEAA CC1(C)[C@H]2CCC[C@H]2[C@@H]1NC[C@H]1CCCCN1S(C)(=O)=O 658013789 LYWBNGKSGJXJIH-KBXIAJHMSA-N 314.495 2.215 0 50 DEAA O[C@@H]1C[C@H](Nc2ccnc(Cc3ccccc3)n2)[C@H]1n1cccn1 664112731 SMFPLTMTTQDWTH-HDMKZQKVSA-N 321.384 2.050 0 50 DEAA Cc1ncc(C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)c(N)n1 668603076 WWRYGKZIGVDGGO-GFCCVEGCSA-N 317.418 2.282 0 50 DEAA Cc1noc(C2CCN([C@H](C(=O)O)c3ccsc3)CC2)n1 580778894 SBYAPOIRWQTBAP-LBPRGKRZSA-N 307.375 2.445 0 50 DEAA C[C@@H]1C[C@H](C(=O)NCc2nnc(O)n2C2CC2)CC(C)(C)C1 585129983 DGTSUEOZSVZMJA-MNOVXSKESA-N 306.410 2.397 0 50 DEAA O[C@@H](CN1CCCN(c2ccccc2)CC1)c1ccc(F)cn1 799296438 FALJTOSURUFIFF-SFHVURJKSA-N 315.392 2.466 0 50 DEAA CCCCN(CCn1c(O)nc(C)cc1=O)Cc1ccco1 1506403462 BNOADGCECFBRTO-UHFFFAOYSA-N 305.378 2.153 0 50 DEAA CCCN(CC(=O)O)S(=O)(=O)Cc1cc(F)ccc1Cl 656511968 FKTPAEPQDPOMDR-UHFFFAOYSA-N 323.773 2.106 0 50 DEAA COc1cccc2c(C(=O)N3C[C@@H](N)C4(CCC4)C3)coc12 1615553972 IXGAUHXZOIPCNN-CQSZACIVSA-N 300.358 2.395 0 50 DEAA CCOC[C@@H]1CCN(C(=O)[C@]2(c3ccccc3)CCCN2)C1 1614972632 XNLFIZUMTFTKDT-CRAIPNDOSA-N 302.418 2.150 0 50 DEAA Cc1cccc(OCCN2C[C@@H]3CCCN3C(=O)[C@@H]2C)c1C 1772705015 WCALBANIUGKZPD-HOTGVXAUSA-N 302.418 2.377 0 50 DEAA O=C(NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)C1CC1 11788002 UYGIXCQPBXDVCJ-AWEZNQCLSA-N 313.332 2.112 0 50 DEAA C[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCC1 12380637 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O=C(O)CNC(=O)c1ccc(NC(=O)CC2=CCCCC2)cc1 237924041 BZAPVJXRRUJHHL-UHFFFAOYSA-N 316.357 2.330 0 50 DEAA COc1ccc([C@H](C)CCNC(=O)N[C@@H]2CCC[C@H]2O)cc1 241515581 OGIQOAZZPMLVET-DAXOMENPSA-N 306.406 2.401 0 50 DEAA C[C@@H]1C(=O)N(C)CN1C(=O)c1cc2c(N(C)C)cccc2s1 823704961 OOVGORUIYYCJCA-SNVBAGLBSA-N 317.414 2.228 0 50 DEAA CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCCn2ccnc2)C1(C)C 404706052 JFUSNEPREFQXDB-OLZOCXBDSA-N 308.426 2.165 0 50 DEAA CN1C(=O)[C@](O)([C@H]2CCc3ccccc3C2=O)c2ccccc21 128789 FGWKAQCXYUYUFT-HNAYVOBHSA-N 307.349 2.296 0 50 DEAA Nc1c(C(=O)NC2CCCC2)nnn1-c1cccc(Cl)c1 16661394 GTJRPNSDIQOOAE-UHFFFAOYSA-N 305.769 2.175 0 50 DEAA CC[C@@H](CS(C)(=O)=O)NC(=O)[C@H](C)c1ccc(F)cc1F 2325766823 GGULVMUEROIXII-KOLCDFICSA-N 319.373 2.008 0 50 DEAA C[C@H]1[C@@H](C)[C@@H]1C(=O)NCCN(CC1CC1)C(=O)[C@@H]1[C@@H](C)[C@H]1C 2325784700 DASKRQYPWQQNRJ-WNZRACMBSA-N 306.450 2.145 0 50 DEAA CCSc1nnc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)s1 113488 RFVBTVMRNXFBMX-JGVFFNPUSA-N 313.404 2.256 0 50 DEAA 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CC(C)c1cc(C(=O)NCc2snnc2C(C)C)nc(N)n1 1506414251 XANLLSHWJNWMSQ-UHFFFAOYSA-N 320.422 2.087 0 50 DEAA CN(C)CCN(Cc1cnc[nH]1)C(=O)Cc1ccc(Cl)cc1 1704310819 UHLBSVQPOKSVIL-UHFFFAOYSA-N 320.824 2.196 0 50 DEAA COc1ccc(Cl)cc1CN1C[C@@H]2CCC[C@@]2(C(N)=O)C1 1615043957 YFGUUKHTMRELPP-BLLLJJGKSA-N 308.809 2.436 0 50 DEAA Cc1nc(C(=O)N2CCCN(c3ccncc3F)CC2)cs1 1772818717 WUFRSNZXOUTXJB-UHFFFAOYSA-N 320.393 2.338 0 50 DEAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCN(C)CC1 12380397 VIONJIQUQBFTBN-JTQLQIEISA-N 300.761 2.020 0 50 DEAA CCN[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 14745800 ZRYPGZAVQBIBDP-AWEZNQCLSA-N 318.465 2.242 0 50 DEAA O=C(NCCN1CCCCC1)c1ccc(Br)o1 16604071 HHSNOHLVSDQZQM-UHFFFAOYSA-N 301.184 2.258 0 50 DEAA CC[C@H](C(=O)N1CCCCCC1)n1nnc2ccccc2c1=O 5206085 ULZJPSSNZKXQHL-OAHLLOKOSA-N 314.389 2.145 0 50 DEAA Cc1cc(OC(=O)C[C@@H]2CCS(=O)(=O)C2)ccc1Cl 4392793 CKWDKSFSAFJVJJ-JTQLQIEISA-N 302.779 2.379 0 50 DEAA COc1c(C)cc(S(=O)(=O)NC[C@H]2CCCO2)c(C)c1C 802696 DHUHLAMBCVSTQH-CYBMUJFWSA-N 313.419 2.078 0 50 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CN(Cc1cc(Br)cs1)CC1(O)CCOCC1 123175158 LODLTLZHASKKOA-UHFFFAOYSA-N 320.252 2.484 0 50 DEAA O=C(Nc1cnc2n1CCCC2)c1cc(-c2ccncc2)n[nH]1 67677242 ZGJOQIKOGXWBBO-UHFFFAOYSA-N 308.345 2.257 0 50 DEAA CC(C)CN1CC[C@H](CNC(=O)Cc2noc3ccccc23)C1 67934597 PAISRCSSQXVZKQ-CQSZACIVSA-N 315.417 2.464 0 50 DEAA CC(C)n1cc([C@@]2(O)CCCN(c3ccncc3Cl)C2)nn1 284571856 PAGVJRNIBCAYKW-OAHLLOKOSA-N 321.812 2.395 0 50 DEAA Cn1nccc1[C@H]1OCC[C@@H]1NCc1c[nH]c(-c2ccccc2)n1 284696046 JKQBFNWVGXVTBH-RDJZCZTQSA-N 323.400 2.430 0 50 DEAA Cn1nnnc1SCC(=O)Nc1cc(Cl)ccc1Cl 6525998 DGWZDVBVXMHGSH-UHFFFAOYSA-N 318.189 2.248 0 50 DEAA CC/C(=C\C(=O)N1C[C@H](OC)C[C@H]1CO)c1ccc(OC)cc1 285033784 PEPYJDRLBRYWMY-QSNQCMLGSA-N 319.401 2.097 0 50 DEAA CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)N1CCCC1 77615754 UQKYJIKCNPZAPH-UHFFFAOYSA-N 322.352 2.478 0 50 DEAA C[C@H]1CN(C(=O)c2csc(CN)n2)C[C@@H](c2ccccc2)O1 237529188 RVILZZQVLGARMY-FZMZJTMJSA-N 317.414 2.204 0 50 DEAA CNC(=O)C1CN(C(=O)[C@H](C)c2cccc(CC(C)C)c2)C1 354753688 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CC(=O)NC1CCC(NC[C@@H]2COC3(CCCCCC3)O2)CC1 161770094 MSNNMQMAMKQCKC-OFLPRAFFSA-N 324.465 2.489 0 50 DEAA Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)n1ccnc1 426652989 QFWOYDNBVMFGIB-CYBMUJFWSA-N 309.373 2.255 0 50 DEAA CC(C)c1noc([C@H]2CCC(=O)N(Cc3ccccn3)C2)n1 91746935 LIOVDFFRGRXZOE-LBPRGKRZSA-N 300.362 2.494 0 50 DEAA COCC(=O)N1CCC[C@H](c2nc(C)nn2C2CCCCC2)C1 96161302 KLBLPAYHXJNWOZ-AWEZNQCLSA-N 320.437 2.444 0 50 DEAA CC(C)(C)CN(CC(F)(F)F)C(=O)c1nnn(C(C)(C)C)n1 622797133 BKZTVBGOOWQARM-UHFFFAOYSA-N 321.347 2.479 0 50 DEAA C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccon2)CC1 183484594 VBYXDLOKPCQMGY-LBPRGKRZSA-N 315.377 2.417 0 50 DEAA COc1ccc(-c2c(C)nn(CC(=O)O)c2C)c(OC)c1OC 534648742 OTYOKWBNRBOODN-UHFFFAOYSA-N 320.345 2.277 0 50 DEAA CCC1(CC)CN(C(=O)N[C@@H](c2nccn2C)C2CC2)CCO1 534667079 HZWNSBMWXUFUFA-CQSZACIVSA-N 320.437 2.472 0 50 DEAA COc1ccc([C@H](O)c2nc(C)nn2CC(F)(F)F)cc1 824654556 LZCHJLYGTLQXJW-NSHDSACASA-N 301.268 2.239 0 50 DEAA C/C=C/Cc1nc(CC(N)=O)nn1Cc1cccc(Cl)c1 820398668 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CCCCOc1ccccc1NC(=O)C[C@@H]1SC(=N)NC1=O 6359790 JTUDKVVFKFNKOA-LBPRGKRZSA-N 321.402 2.360 0 50 DEAA CCc1nnc(SCC(=O)N[C@H](C)c2ccccc2)n1C 6700169 HEIVKIPNTAAXOL-LLVKDONJSA-N 304.419 2.347 0 50 DEAA COc1c(S(=O)(=O)n2cccn2)ccc(Cl)c1Cl 4993000 WTWTXQHDZSDTFP-UHFFFAOYSA-N 307.158 2.436 0 50 DEAA C[C@@H]1CC[C@@H](NC(=O)N[C@H]2C[C@@H]2CC(C)(C)C)CS1(=O)=O 1857528700 DQPZSIXSFUARNK-LPWJVIDDSA-N 316.467 2.076 0 50 DEAA COC1CCC(N[C@H](c2nc(C)no2)C2CCOCC2)CC1 328632712 SALPMDTZIUVIBQ-NRXISQOPSA-N 309.410 2.393 0 50 DEAA CC(C)c1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)nn1C 236883828 BUCBIRUFWFQUAF-LBPRGKRZSA-N 307.394 2.403 0 50 DEAA C[C@]1(C(=O)O)CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 237643521 WONZAFBBLOGGAW-INIZCTEOSA-N 304.321 2.173 0 50 DEAA CN1CC[C@H](N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1=O 248960589 CAQGAIBEYMJSLE-IHRRRGAJSA-N 312.772 2.129 0 50 DEAA COc1cccc([C@@H]2CN(c3ccnc(N(C)C)n3)CCO2)c1 675801419 HKXDSIYTKRWXRJ-HNNXBMFYSA-N 314.389 2.129 0 50 DEAA C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccccc1Br 148826119 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DEAA Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)CC(F)(F)F)cc1 129307349 BLKFMNWXGHHZRZ-SNVBAGLBSA-N 323.336 2.226 0 50 DEAA O=C(Nc1n[nH]c(-c2cccc(OC(F)F)c2)n1)[C@H]1CCCO1 369022287 DQWRRDWNWUHFSR-SNVBAGLBSA-N 324.287 2.191 0 50 DEAA CCc1ocnc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)O 262509048 JRMKZCSHFWMPRA-CQSZACIVSA-N 300.314 2.061 0 50 DEAA Cc1ccc(-c2nnn(CC(=O)NC34CCC(CC3)C4)n2)cc1 372345333 FYWALPORVMWHRZ-UHFFFAOYSA-N 311.389 2.097 0 50 DEAA CC1(C)CN(CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1O 279784039 NVIDPTKRNNFCNK-LBPRGKRZSA-N 316.323 2.347 0 50 DEAA CCOc1ccc2cc(S(=O)(=O)N[C@H](CC)CO)ccc2c1 41096361 XEGJWJKIBLMXKU-CQSZACIVSA-N 323.414 2.288 0 50 DEAA CCn1ccc2c(nnc3c(-c4ccccc4)c(C)nn32)c1=O 40390858 KLULGXUNLBIWBM-UHFFFAOYSA-N 305.341 2.435 0 50 DEAA CC1(C)[C@H](NC(=O)Cc2ccc(C(=O)O)cc2)[C@@H]2CCCO[C@H]21 263367327 WNQNIWDDBYRERW-NUEKZKHPSA-N 317.385 2.247 0 50 DEAA Cc1nc(O)ccc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 282411135 FAUIULWOXJWVLQ-HIFRSBDPSA-N 316.332 2.183 0 50 DEAA C[C@@]1(C(=O)N2CCC(OCc3cccnc3)CC2)CCCO1 223189511 VTPRFLVZMOUCRZ-KRWDZBQOSA-N 304.390 2.158 0 50 DEAA CCC[C@H](CC(=O)O)NC(=O)N1CC(Oc2cccc(C)c2)C1 426618426 WTDFHJNXYACCQL-CYBMUJFWSA-N 320.389 2.411 0 50 DEAA CC(C)(C)c1csc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)n1 225887826 RUQGRUXMYOOQJC-HZQMYPQZSA-N 324.402 2.257 0 50 DEAA CCC[C@H]1CN(c2nccs2)C[C@@H]1NC(=O)COC(C)C 91519443 MJGAFYGDGOGADO-STQMWFEESA-N 311.451 2.289 0 50 DEAA Cc1nc(CN2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)n(C)n1 95389288 YVSTXKMJJBDXCD-OAHLLOKOSA-N 314.389 2.201 0 50 DEAA C[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)C1CC1 175217123 BSMWYNWTBBEAII-CYBMUJFWSA-N 300.402 2.454 0 50 DEAA CN(Cc1ccccc1)C(=O)CCN1CC(C)(C)[C@@](C)(O)C1 91964599 QNQFWUBCYJLVSO-SFHVURJKSA-N 304.434 2.128 0 50 DEAA c1ccc(CN2C[C@@H]3CNC[C@H](C2)N3Cc2ccccc2)cc1 90751643 SNGGAGSGIFAHDI-BGYRXZFFSA-N 307.441 2.345 0 50 DEAA Cc1nccn1CCCN1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 91548800 OWEWKWSABDCJCW-ZWKOTPCHSA-N 302.466 2.388 0 50 DEAA 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C[C@@H]1C[C@]2(C(=O)N3C[C@@H]4Oc5c(F)ccc(F)c5O[C@@H]4C3)C[C@H]12 2325780174 MFGCRIYOUUGWLR-CDYCAPCASA-N 321.323 2.362 0 50 DEAA CCc1cnc(CN2C[C@@H](CC(=O)O)OC3(CCC3)C2)s1 2325787247 NAPWXLYZCFBNPT-LLVKDONJSA-N 310.419 2.304 0 50 DEAA Cc1cc(C)n2ncc(C(=O)Nc3cccc(CC(=O)O)c3)c2n1 125050115 CGPBNOLWNWOIIL-UHFFFAOYSA-N 324.340 2.226 0 50 DEAA CCOC(=O)C1CCN(Cc2cc(OC)ccc2OC)CC1 294237 GQOKRIYSEKEIFY-UHFFFAOYSA-N 307.390 2.479 0 50 DEAA C[C@H]1CCc2nc(NC(=O)CSc3ncn[nH]3)sc2C1 6129627 FLHOKHBDGYYWEZ-ZETCQYMHSA-N 309.420 2.117 0 50 DEAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cncc(Br)c1 222623212 IHJSOCJGOCQQFX-OLZOCXBDSA-N 324.222 2.201 0 50 DEAA c1cnc(-c2nn3c(CN4CCCCCC4)nnc3s2)cn1 57524687 BJGAWINVOPSXAH-UHFFFAOYSA-N 315.406 2.019 0 50 DEAA Cc1ccc([C@@H](CNC(=O)CCCn2cccn2)N(C)C)cc1 51469763 QEWNCTSIRMELBM-QGZVFWFLSA-N 314.433 2.391 0 50 DEAA O=C(O)c1ccc2c(c1)n(C[C@H]1CCCO1)c(=O)n2CC1CC1 55088254 WSZBKYOKUZOIFL-CYBMUJFWSA-N 316.357 2.090 0 50 DEAA Cc1ccc(NC(=O)CC(=O)NCCN2CCCC2)cc1Cl 55283840 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GLTSVYGXPXTAGM-PIGZYNQJSA-N 302.349 2.464 0 50 DEAA CO[C@H](Cn1c(-c2cccn2C)nnc1N1CCCC1)C1CC1 1401530185 ZIRZVWMKYIUHAH-OAHLLOKOSA-N 315.421 2.309 0 50 DEAA Cc1n[nH]c(C)c1CC(=O)N[C@H](C)c1nncn1C1CCCC1 299791443 FSJMXMLQBUUVEN-GFCCVEGCSA-N 316.409 2.153 0 50 DEAA C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCC2(CC1)COC(=O)O2 299791464 GEHRIUPWRJEBCE-NSHDSACASA-N 322.336 2.154 0 50 DEAA CCOC(=O)N1CC[C@@H](NCc2nc3ccc(C)cc3[nH]2)C1 584896120 NRQSGUUXZIBJJT-GFCCVEGCSA-N 302.378 2.192 0 50 DEAA Cn1cc(CCCn2cnc3cc(Cl)ccc3c2=O)cn1 584886775 CQTJYMBKKYUVJY-UHFFFAOYSA-N 302.765 2.416 0 50 DEAA C[C@](CO)(NC(=O)COc1ccc(Cl)c(F)c1)C1CC1 1417676165 LONXZIFKWUJAPI-CQSZACIVSA-N 301.745 2.135 0 50 DEAA C[C@@H](C(=O)c1ccc(Br)cc1)N1C(=O)CCC1=O 58037829 YBWPSFGRBHJMPD-QMMMGPOBSA-N 310.147 2.169 0 50 DEAA in-vitro Cc1cc(C[C@H](C)NC(=O)/C=C/c2cc(CO)cs2)n[nH]1 952979894 IRUCOWFRHCFLFJ-FSIBCCDJSA-N 305.403 2.033 0 50 DEAA COc1ccc(/C=C/C(=O)N2CC[C@@](C)(C(=O)O)C2)c(OC)c1 269051001 VLUCUEDNRPFQIY-QQOXCAACSA-N 319.357 2.040 0 50 DEAA COCc1cccc(C(=O)N2C[C@H](OC)C[C@H]2c2ncc[nH]2)c1 644117085 NWKBBVDWHFHENM-CABCVRRESA-N 315.373 2.158 0 50 DEAA CC[C@@H](NC(=O)c1ccc2nc(O)n(CC)c2c1)c1ncc[nH]1 655003057 JKOFZEFMSMZABK-LLVKDONJSA-N 313.361 2.366 0 50 DEAA COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C2 669371700 RJGVYAHILLZQPV-LLVKDONJSA-N 323.345 2.455 0 50 DEAA C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(-c2ccoc2)[nH]n1 671870963 SLNDKLLVAVVQHR-OCCSQVGLSA-N 314.389 2.369 0 50 DEAA O=C(c1cc2n(n1)CCCC2)N1CC[C@H](Cc2ccncc2)C1 585140374 XZFLUGXZXRPSEZ-OAHLLOKOSA-N 310.401 2.319 0 50 DEAA CC[C@@H](Nc1cncc(C(=O)N2CCCC2)n1)c1ccnn1C 1529115220 ZQDWBFDQDFMXIO-GFCCVEGCSA-N 314.393 2.009 0 50 DEAA Cc1nsnc1C(=O)NCCN1CCCc2ccccc21 1775981877 JQFYPYVCLIWDNW-UHFFFAOYSA-N 302.403 2.029 0 50 DEAA O=C(c1cncc(F)c1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775978887 XFGCAVMXYXBELS-MRXNPFEDSA-N 300.337 2.064 0 50 DEAA O=C(NCCc1ccco1)[C@H]1CC(Cc2cccc(F)c2)=NO1 11787565 YWROIXDQZYKJCY-MRXNPFEDSA-N 316.332 2.465 0 50 DEAA CC(C)OC[C@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1 12382721 JZNGIQADVUTAKL-ZDUSSCGKSA-N 306.811 2.041 0 50 DEAA O=C(C1CCOCC1)N1CCO[C@@H](CCc2ccccc2)C1 12714470 ZYOPIAFTIFSGBJ-KRWDZBQOSA-N 303.402 2.273 0 50 DEAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 2212334 DHUSDXFKNRRNKW-OAHLLOKOSA-N 321.396 2.001 0 50 DEAA CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1 4113530 INNXNCXOTUOADI-CQSZACIVSA-N 304.346 2.276 0 50 DEAA CN1CCN(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC1 4696254 WZFQJKXKMLPSFV-UHFFFAOYSA-N 323.396 2.327 0 50 DEAA CCc1nnc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)s1 4858602 IQLVLROGVWUFAO-UFBFGSQYSA-N 305.359 2.268 0 50 DEAA O=C(NC[C@@H]1CCCO1)C(=O)Nc1cc(Cl)ccc1Cl 4867351 UPXSGQNBFDPXQC-VIFPVBQESA-N 317.172 2.227 0 50 DEAA CCc1cccc2c(C(C)=O)cn(CC(=O)N3CCOCC3)c12 4384762 YGHNYSRQGUKBMR-UHFFFAOYSA-N 314.385 2.265 0 50 DEAA O=C1CCCN1CCN1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1857717804 YZOJKHKOXUDQKD-ZWKOTPCHSA-N 314.429 2.461 0 50 DEAA CCc1nccn1CCC(=O)N[C@@H]1CCCc2c1c(C)nn2C 1857685618 ZYJUHTQMTPMILK-CYBMUJFWSA-N 315.421 2.071 0 50 DEAA CC(C)(C)OC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2555000 YGSRAYJBEREVRB-SECBINFHSA-N 303.355 2.086 0 50 DEAA in-vitro C[C@@H](C(=O)N1CC[C@@]2(CN=C(O)C2)C1)c1ccc2c(c1)OCO2 329054865 HVVWLUXPALPAEN-PIGZYNQJSA-N 316.357 2.098 0 50 DEAA Cc1cnc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cn1 332025224 YMQHMZWNQLNZHU-NHYWBVRUSA-N 319.311 2.011 0 50 DEAA CN(CCO)C(=O)N[C@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 645705700 OQGFOBMCWGMKPX-NSHDSACASA-N 321.808 2.312 0 50 DEAA C[S@@](=O)c1ccc(NC(=O)c2cccc(C(=O)O)c2)cc1 341710223 FAKPBKXWAMTPJO-OAQYLSRUSA-N 303.339 2.375 0 50 DEAA O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)[C@H]1C[C@H]1C(=O)O 249240609 CUIAUOAATGQYRC-QNWHQSFQSA-N 309.749 2.007 0 50 DEAA Cc1cc(C)cc(-c2cc(NC(=O)[C@@H]3CCNC(=O)C3)[nH]n2)c1 136241844 LCWDTHTVGMSRIJ-GFCCVEGCSA-N 312.373 2.158 0 50 DEAA Cc1ccc(OCC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1C 267137174 XTCPDABKIOFQPY-PKOBYXMFSA-N 311.381 2.457 0 50 DEAA CCc1cc(=NC(=O)[C@@]2(C)CCNC(=O)C2)c2ccccc2[nH]1 904189100 AIPJRCRVWOPOCV-SFHVURJKSA-N 311.385 2.074 0 50 DEAA C[C@H]1CCN(C(=O)c2ccc(C(=O)O)cc2)C[C@@H]1n1ccnc1 820238695 SSLRPIPUKBMCCL-WFASDCNBSA-N 313.357 2.305 0 50 DEAA C[C@](O)(CNC(=O)c1onc2c1CCCC2)c1cccs1 829298639 FFNYZBGXSZVQJT-HNNXBMFYSA-N 306.387 2.252 0 50 DEAA CC1(c2ccccc2C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)CC1 829882457 VDVRVNGIBIPNHZ-HZPDHXFCSA-N 315.413 2.398 0 50 DEAA Cc1[nH]nc2c1CCCN2Cc1cc(=O)n2c(C)csc2n1 934310358 ZXTDDLCOGJSIRI-UHFFFAOYSA-N 315.402 2.049 0 50 DEAA Cn1nc(C(=O)Nc2cccc3c2OCC[C@@H]3O)cc1C(F)F 935415387 QGWNEOCXPNUSIQ-LBPRGKRZSA-N 323.299 2.426 0 50 DEAA O=C(Nc1c[nH]nc1C1CC1)[C@@H]1CCCN1CC(F)(F)F 1875309153 UPYFUUSHBVNCBY-JTQLQIEISA-N 302.300 2.252 0 50 DEAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cccc3c2OCO3)C1 888079335 XSNRTYYROBNLCE-CHWSQXEVSA-N 301.346 2.100 0 50 DEAA CO[C@@H]1CCOC[C@H]1NC(=O)NCc1ccc(C2CC2)cc1F 895005027 TWCROZIAHIEJOR-HZPDHXFCSA-N 322.380 2.306 0 50 DEAA CN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2cc(Cl)ccc21 1069866 GFSZOTAELFAWRF-OAHLLOKOSA-N 305.717 2.370 0 50 DEAA Cn1cnc2c1CCC[C@@H]2C(=O)N1CCN(c2ccccc2)CC1 2325779009 AMTGTBFXXRKTMK-INIZCTEOSA-N 324.428 2.189 0 50 DEAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cc(Cl)c[nH]1 218883365 AFDYOMVUTJXBIL-UBHSHLNASA-N 319.792 2.175 0 50 DEAA COc1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1 223708 TZFSFRHRQXJVIK-UHFFFAOYSA-N 319.382 2.498 0 50 DEAA O=C(O)c1cc2c(s1)C1(CCN([C@H]3CCOC3)CC1)OCC2 2356145735 UDIVLUPXNKFBNS-LBPRGKRZSA-N 323.414 2.099 0 50 DEAA O=C1NCCC[C@]12CCCN2Cc1ccccc1Cn1cccn1 2356154780 JMHRGBOBJWWREN-IBGZPJMESA-N 324.428 2.176 0 50 DEAA Cc1nc[nH]c1-c1nnc2n1[C@H](C)C(=O)N(Cc1ccccc1)C2 2356160422 RCQBXCOEOXDQBP-GFCCVEGCSA-N 322.372 2.080 0 50 DEAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1COc2ccccc2C1 248103286 FHMFRGLMFZBGAE-GVDBMIGSSA-N 314.429 2.323 0 50 DEAA Cc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 100099532 RMSYIEXYYPHIAW-GASCZTMLSA-N 312.369 2.275 0 50 DEAA CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O 28572103 BXNMTOQRYBFHNZ-UHFFFAOYSA-N 314.389 2.474 0 50 DEAA investigational O=C(O[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 245872389 GKQJANFPLAMREN-XJFOESAGSA-N 300.420 2.323 0 50 DEAA CCc1ncc2c(n1)CN(C(=O)[C@H](c1ccc(C)cc1)N(C)C)C2 67967205 LSCLUBHYTHGOCM-SFHVURJKSA-N 324.428 2.493 0 50 DEAA O=C(c1ncc(F)cc1F)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348260235 BWSUONCPXSDFOT-GXTWGEPZSA-N 322.286 2.447 0 50 DEAA CCN(Cc1noc(C)n1)[C@@H](C(=O)O)c1cc(F)ccc1OC 63869516 YLWQVBDQTOCUAT-CQSZACIVSA-N 323.324 2.174 0 50 DEAA Cc1ncccc1-c1noc([C@H]2OCC[C@H]2Cn2cccn2)n1 350409021 LFOIMYUMYQKIAR-JSGCOSHPSA-N 311.345 2.414 0 50 DEAA CN1C(=O)/C(=C/c2nc3ccccc3c(=O)[nH]2)c2ccccc21 31829604 VIGMKRNVSASYHN-JLHYYAGUSA-N 303.321 2.440 0 50 DEAA Cc1ccnc(N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 252512646 UDLFQKDSJAFWQY-DLBZAZTESA-N 312.417 2.080 0 50 DEAA CCN(CC)c1ncccc1CNC(=O)c1ccnc(NC)c1 11753970 AZAJRSDCNYPIGE-UHFFFAOYSA-N 313.405 2.295 0 50 DEAA Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 328631625 RCZNQJMPQRIJJE-GFCCVEGCSA-N 324.427 2.294 0 50 DEAA Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CN2CSCC2=O)C1 121730429 BREPBHIDPOOEHJ-KGLIPLIRSA-N 318.442 2.232 0 50 DEAA CO[C@H]1CCN(Cc2ccc(OCCn3ccnc3)cc2)C1 214950025 QDOSVOFIQHBDTD-KRWDZBQOSA-N 301.390 2.183 0 50 DEAA COc1ccc(-c2cncc(C(=O)N3C[C@H](O)C4(CC4)C3)c2)cc1 364444861 CEAQWBHGYOTGSB-KRWDZBQOSA-N 324.380 2.354 0 50 DEAA Cc1nc(CNC(=O)N[C@@H]2CCOC3(CCCCC3)C2)no1 170674836 BFYBDGOTEBWXJV-GFCCVEGCSA-N 308.382 2.059 0 50 DEAA CC(C)(O)CCc1ccc(CN2CCCC[C@H]2C(N)=O)cc1 72428870 UTOALLXIOXTJKY-INIZCTEOSA-N 304.434 2.230 0 50 DEAA C[C@@H](NS(=O)(=O)C1COC1)c1ccccc1C(F)(F)F 330214459 LRLRAPASOMWLCR-MRVPVSSYSA-N 309.309 2.085 0 50 DEAA CCCn1ncc(CN2CCC3(CC2)CN(CC)C(=O)O3)c1C 72420018 ONJWKTVNRRJDHL-UHFFFAOYSA-N 320.437 2.408 0 50 DEAA COC(=O)N[C@@H](C)C(=O)NCC1(c2ccc(F)cc2)CCCC1 219681716 UVOUILAXBCJSSY-LBPRGKRZSA-N 322.380 2.498 0 50 DEAA COc1ccc(CN2CCN(CC[C@@H](C)SC)CC2=O)cc1 72409590 MIIWOTYDYMDRCA-CQSZACIVSA-N 322.474 2.481 0 50 DEAA CCc1ncsc1C(=O)NC[C@]1(O)CCc2ccccc21 158782501 DCNWAFIWBLLADE-MRXNPFEDSA-N 302.399 2.269 0 50 DEAA CCN(C)Cc1cccc(CN[C@@H]2CCC(=O)NC2(C)C)c1 495039344 CHOKSFRFXLQYFU-MRXNPFEDSA-N 303.450 2.285 0 50 DEAA Cc1cc(F)ccc1-n1ccc(N2C(=O)[C@H](C)N(C)C2=O)n1 377350185 JOEOFFSOHBRFOL-JTQLQIEISA-N 302.309 2.107 0 50 DEAA CC(C)(C)c1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)no1 262811168 OCQMJGJTTJAMBY-UHFFFAOYSA-N 320.349 2.241 0 50 DEAA COc1ccc(CCCC(=O)N2CC[C@@](C)(C(=O)O)C2)cc1 237199780 AQYUZSJSBAFRJZ-QGZVFWFLSA-N 305.374 2.341 0 50 DEAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)C(C)(C)N1CCCC1 222396078 IQVHUMRXJAIONB-HZPDHXFCSA-N 324.465 2.117 0 50 DEAA Cc1ccc(C(=O)N2CCC3(CC2)COC(=O)N3)c(C(C)C)n1 496244460 ISUVIHBFUNZFJZ-UHFFFAOYSA-N 317.389 2.228 0 50 DEAA Cc1ccccc1[C@@H]1CN(c2nccn3cnnc23)[C@@H](C)CO1 239672673 BUQBEXOYHUVWPO-ZFWWWQNUSA-N 309.373 2.399 0 50 DEAA CN(Cc1ccccc1-n1cccn1)C(=O)c1cccc(N)n1 223463779 YNUNHOYRXAMJCX-UHFFFAOYSA-N 307.357 2.122 0 50 DEAA CC(C)n1cnc(C(=O)N[C@H]2CN(C)C[C@H]2c2ccccc2)c1 242164646 WWSAXARPKZEQGL-HOTGVXAUSA-N 312.417 2.292 0 50 DEAA COCC1(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)CCC1 285029610 SGUPWIKPIGHONR-UHFFFAOYSA-N 320.389 2.328 0 50 DEAA CSCCN1CCN(C(=O)NCc2cccc(C)c2)CC1 426474235 JTXZDFKUVJSACE-UHFFFAOYSA-N 307.463 2.185 0 50 DEAA CN(C)[C@H]1CCCN(C(=O)NCc2cc(C(C)(C)C)n[nH]2)CC1 426596621 PNXQCTLHXDHSEX-AWEZNQCLSA-N 321.469 2.333 0 50 DEAA CNC(=O)c1ccc(CNc2ccc(CCO)cc2OC)cc1 284018166 KPPLQUYOWQHDRD-UHFFFAOYSA-N 314.385 2.202 0 50 DEAA c1ccc(SCCN[C@H]2CCOC3(CCOCC3)C2)nc1 82099276 JFOMLMVVFLACOU-AWEZNQCLSA-N 308.447 2.492 0 50 DEAA Cc1noc([C@H]2C[C@@H](O)CN2C(=O)CCc2ccc(C)s2)n1 290958940 RJLMBRPTNHRPJL-DGCLKSJQSA-N 321.402 2.015 0 50 DEAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1csc(C)n1)C2 95529825 JDRMPFIAHXFYHZ-NSHDSACASA-N 318.398 2.441 0 50 DEAA CCCn1ncc(C(=O)N(C)Cc2cc(C3CC3)[nH]n2)c1C 92099189 VRGDDPHFUWPRLL-UHFFFAOYSA-N 301.394 2.474 0 50 DEAA CCC[C@H](CC(=O)O)NC(=O)Cc1ccc2nc(C)[nH]c2c1 426392817 MYVPZJAMEXRGAE-GFCCVEGCSA-N 303.362 2.173 0 50 DEAA CC(C)N(C(=O)c1ccccc1-c1n[nH]c(CO)n1)C(C)C 96140475 VPQMKRKJVFSOCW-UHFFFAOYSA-N 302.378 2.223 0 50 DEAA COCCC[C@]1(C(=O)O)CCCN(c2noc(C3CC3)n2)C1 91997755 XAFUCHOQVVBDMC-OAHLLOKOSA-N 309.366 2.045 0 50 DEAA NC[C@@H]1CCN(C(=O)CCc2ccccc2Br)C1 178575739 ATEKYPFIIYZVSF-NSHDSACASA-N 311.223 2.189 0 50 DEAA O[C@H]1CN(CCCn2cccc2)CCN(Cc2ccccc2)C1 95512752 YYTZJBGXVVAQHK-IBGZPJMESA-N 313.445 2.057 0 50 DEAA CN1CCC[C@@]2(CCN(CCOc3ccc(F)cc3)C2)C1=O 91690653 CGCNPZFJHYGJIN-KRWDZBQOSA-N 306.381 2.149 0 50 DEAA CCn1c(CN(C)Cc2ccc(F)cc2)nnc1[C@H]1C[C@@H](N)C1 244794885 QVQHUKKFVJCJQT-OTVXOJSOSA-N 317.412 2.274 0 50 DEAA Cn1cnc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccco2)c1 340648446 BOYKEJXNEQVJHA-HNNXBMFYSA-N 317.370 2.081 0 50 DEAA Cn1nc(C(C)(C)C)cc1C(=O)N1C[C@@H](CO)c2ccccc21 293928397 NYEGGTZWUMXKRY-LBPRGKRZSA-N 313.401 2.454 0 50 DEAA Cc1[nH]c2ccccc2c(=O)c1CC[C@H](C)NCCC(=O)O 534676051 FGXOMSFBJFJCHA-NSHDSACASA-N 302.374 2.222 0 50 DEAA Cn1c(Sc2ncccc2Cl)nnc1C1CCNCC1 534577724 IURHLXZPZXVXHM-UHFFFAOYSA-N 309.826 2.482 0 50 DEAA O=C(c1nnn2c1CO[C@H](c1ccccc1)C2)N1CCCCC1 263615701 DSFUARDLOBUKBB-HNNXBMFYSA-N 312.373 2.176 0 50 DEAA O=C(O)C[C@@H]1CCCN(C(=O)CCOCC(F)(F)F)CC1 299745708 RZRMZJGQIHDPOE-SNVBAGLBSA-N 311.300 2.059 0 50 DEAA CCCc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)[nH]n1 299741183 DLKJNLVCNMTYOL-DZGCQCFKSA-N 300.362 2.017 0 50 DEAA O=C(O)c1ccc(CNC(=O)[C@@H]2CSc3ccccc3O2)o1 299745955 UGZPMYRORFMOTO-LBPRGKRZSA-N 319.338 2.147 0 50 DEAA Cc1nccn1CCC(=O)NC[C@@H]1CCN(c2ccccc2)C1 299771916 XUUGARNGQMBTGO-INIZCTEOSA-N 312.417 2.224 0 50 DEAA CCCCOc1cccc(NC(=O)N[C@H]2C=CS(=O)(=O)C2)c1 299771021 QZVZCHXKAGWVNK-ZDUSSCGKSA-N 324.402 2.298 0 50 DEAA CC(C)N1CC[C@@H](CN(C)Cc2nc(C(F)(F)F)no2)C1 823719885 WZTSVMYSEMKHRF-JTQLQIEISA-N 306.332 2.251 0 50 DEAA Cc1cnn([C@H](C)C(=O)NCc2nncn2C2CCCCC2)c1 822288479 OVSADVQBYUJBIV-CYBMUJFWSA-N 316.409 2.166 0 50 DEAA CN(C)[C@@H](C(=O)N1CCC(C2CCCC2)CC1)c1cncn1C 1411860249 BFHHVMOULIBDRY-QGZVFWFLSA-N 318.465 2.452 0 50 DEAA CCN(Cc1cccc(OC)c1OC)C(=O)c1ccnn1C 952973539 NRYXJDBBZINXGF-UHFFFAOYSA-N 303.362 2.100 0 50 DEAA O=C(CCN1CCO[C@H]2CCCC[C@@H]21)NCc1ccccc1F 1565506634 QIALHKVYYNRJEH-IRXDYDNUSA-N 320.408 2.475 0 50 DEAA C[C@](O)(Cc1ccccc1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 268925968 VYJPQYMZQBJWRH-NEWSRXKRSA-N 317.429 2.134 0 50 DEAA CC(=O)N1CCCC[C@@H]1C(=O)N1Cc2ccccc2OC[C@@H]1C 272893307 FCGTVDNOFMTBNP-XJKSGUPXSA-N 316.401 2.197 0 50 DEAA CC1CCC(O)(CN2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)CC1 408045970 UTAFELMDCBZFCL-MFJUZZNBSA-N 311.466 2.180 0 50 DEAA CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccn(-c2ccncc2)n1 277371778 HPKJXWOMKMKPED-DZGCQCFKSA-N 300.362 2.267 0 50 DEAA CC(=O)CCCC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 187748107 ZEYSYFPTKVGOED-INIZCTEOSA-N 311.422 2.322 0 50 DEAA C[C@@H](CNC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C)C(=O)O 655884484 HISLPIFQZIZACD-IUCAKERBSA-N 312.316 2.314 0 50 DEAA Cc1nccn1CCCC(=O)N1CCC(CN2CCCC2)CC1 727862868 XKNMSKZGWJVNCD-UHFFFAOYSA-N 318.465 2.306 0 50 DEAA Cc1nn(C(F)F)c(C)c1CC(=O)N1CC(OC(C)C)C1 585135537 PNSMEAMJDCMQAS-UHFFFAOYSA-N 301.337 2.073 0 50 DEAA CC[C@@H](NC(=O)c1csc(Br)n1)[C@H](O)C(C)C 585131888 JCAUFQQMHFAJSA-VXNVDRBHSA-N 321.240 2.431 0 50 DEAA Cc1c(C(=O)NCc2c(C(=O)O)oc3ccccc23)cnn1C 738172217 JAALYOIMUCNGGR-UHFFFAOYSA-N 313.313 2.103 0 50 DEAA CC(C)CNC(=O)[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1 1529153891 WMSPEIHTRLLTQG-SJORKVTESA-N 318.417 2.136 0 50 DEAA COc1cc(CN2C[C@H](O)[C@H](Cc3cc(C)no3)C2)ccc1F 1529093825 ACZLIWUVNVOHJX-CJNGLKHVSA-N 320.364 2.166 0 50 DEAA COc1cnccc1[C@H](C)NCc1n[nH]cc1Br 1857530358 VTAUXLTXWFIKAC-QMMMGPOBSA-N 311.183 2.427 0 50 DEAA CCCCc1ccc(C(=O)N(CCO)Cc2cncn2C)cc1 1704334379 IMYMOLNEPAEYJB-UHFFFAOYSA-N 315.417 2.397 0 50 DEAA CCC[C@]1(C(=O)O)CCN(C(=O)c2ccc(F)cc2C)C[C@@H]1O 1704342739 CPOHVSAPIYMAHF-YOEHRIQHSA-N 323.364 2.212 0 50 DEAA CN(CC[C@@H]1COCCO1)Cc1nc2ccc(Cl)cc2[nH]1 1775981592 MHZCXZZGGJJCNM-GFCCVEGCSA-N 309.797 2.454 0 50 DEAA COc1cccc(C[C@@H]2CN(Cc3[nH]cnc3C)CCO2)c1 12316736 QEWYVCNJYTVDCV-MRXNPFEDSA-N 301.390 2.170 0 50 DEAA CCC(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 16579660 JEXBQOGGXVOZDQ-UHFFFAOYSA-N 314.407 2.121 0 50 DEAA COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCCCC1 4487269 JQGFNLQOMCHPEK-OAHLLOKOSA-N 307.390 2.123 0 50 DEAA c1ccc2c(=N[C@@H]3C[C@H]4CO[C@@H](C5CC5)CN4C3)cc[nH]c2c1 1857685812 VINCTZGFZUXDRI-ZRGWGRIASA-N 309.413 2.320 0 50 DEAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(CCc1ccccc1)C[C@H]2O 1857720323 OUXUFSKFRUEPSC-XRXFAXGQSA-N 323.436 2.298 0 50 DEAA COc1cc(CNC(=O)[C@H]2CCC(F)(F)C2)cc(OC)c1O 331081305 LWSGEQQLCCHNGF-JTQLQIEISA-N 315.316 2.461 0 50 DEAA CC(C)COC(=O)N1CCC(N[C@H](C)c2cnn(C)c2)CC1 230306172 PVYHWOZIXTVYJM-CYBMUJFWSA-N 308.426 2.328 0 50 DEAA CC(C)c1nnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C3CC3)CCO2)o1 328613691 TUPBYEFSHBAZPF-AVGNSLFASA-N 305.378 2.139 0 50 DEAA O=C(CNC(=O)NC1CCCCC1)N[C@H]1CCCc2occc21 124980750 SSSCWUSYLKNBCL-AWEZNQCLSA-N 319.405 2.405 0 50 DEAA O=C(O)c1ccc(CCC(=O)N(C[C@H]2CCOC2)C2CC2)cc1 238057130 IEXHXHFPRUWFEO-CQSZACIVSA-N 317.385 2.345 0 50 DEAA CC[C@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ncc[nH]3)no2)C1 252491472 LNCKIYBVUVMVIJ-WDEREUQCSA-N 303.366 2.212 0 50 DEAA Cc1noc([C@H](C)OC(=O)c2ncccc2Br)n1 253429000 GIBYOQRDEZWXGX-LURJTMIESA-N 312.123 2.454 0 50 DEAA C[C@H](CNC(=O)c1cc2c(cn1)OCCC2)CN1CCCCC1 360441176 JYDNRSDWDMABDH-CQSZACIVSA-N 317.433 2.258 0 50 DEAA C[C@H]1CCN(C(=O)CNC(=O)c2cccnc2)c2ccccc21 154110474 VOGMFELNYPAFJD-ZDUSSCGKSA-N 309.369 2.352 0 50 DEAA CCOc1ccc([C@@H](C)NC(=O)[C@@]2(F)CCNC2)cc1OCC 376790557 FPTSMAONWRCECD-SJKOYZFVSA-N 324.396 2.363 0 50 DEAA Cc1noc([C@@H]2CCCN(Cc3ccccc3CC(=O)O)C2)n1 846241503 XWOVXUROABCKPJ-OAHLLOKOSA-N 315.373 2.385 0 50 DEAA NC[C@H]1CCc2ccccc2N1S(=O)(=O)c1cccs1 952879431 QNVMMEWNGUFPLY-GFCCVEGCSA-N 308.428 2.217 0 50 DEAA NC1CCC2(CC1)CN(CCCOc1ccccc1)CCO2 1875284139 ODMHWOFEAJENEX-UHFFFAOYSA-N 304.434 2.428 0 50 DEAA C[C@@H]1[C@@H](NS(C)(=O)=O)CC2(CCC2)CN1Cc1ccccc1 1875339448 JWGXOXBAFKVEJN-ZBFHGGJFSA-N 322.474 2.369 0 50 DEAA CC[C@H]1CCCC[C@H]1NC(=O)NS(=O)(=O)c1ccccn1 1875328129 AAXDIGXIKMKYES-NWDGAFQWSA-N 311.407 2.038 0 50 DEAA CC(C)c1ccccc1NC(=O)NCC1=NO[C@@H]2COC[C@H]12 1875305948 NQGFTDZRBDAZLR-IUODEOHRSA-N 303.362 2.333 0 50 DEAA CCOCc1nc(C)cc(N[C@@H]2Cc3ccccc3NC2=O)n1 894762797 KRNNHBYUNFYEHK-CQSZACIVSA-N 312.373 2.297 0 50 DEAA CC(C)(F)CNc1ncnc2c1nnn2Cc1ccccc1 894855722 ANRYEDHCWLNCOE-UHFFFAOYSA-N 300.341 2.430 0 50 DEAA CCS(=O)(=O)Nc1ccccc1[S@](=O)C(F)(F)F 1775994785 CMIQBHHXIMOGRU-KRWDZBQOSA-N 301.311 2.076 0 50 DEAA COC[C@H](N[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC1 888099122 VFEUMHXDQUYLCT-TUVASFSCSA-N 310.438 2.256 0 50 DEAA C/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1 4076289 KBEHIJIDYRIWEL-MBVDDHJVSA-N 316.357 2.442 0 50 DEAA COc1cc(=O)n2c(c1C(=O)N1CCCCC1)CCCCC2 583648789 NWIMYZCIRGWKKE-UHFFFAOYSA-N 304.390 2.209 0 50 DEAA Cc1ncn(-c2ccc(NC(=O)[C@@]3(CF)CCNC3)cc2)c1C 2325795617 PPXNLNJAIUNIIU-QGZVFWFLSA-N 316.380 2.377 0 50 DEAA Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=N[C@H]2c1ccccc1 10385414 GFORCCDHEWNEBJ-MRXNPFEDSA-N 323.400 2.366 0 50 DEAA Cc1cccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 101428469 OPUATOXUVWJVJS-GJZGRUSLSA-N 312.369 2.275 0 50 DEAA CCNc1ncc(C(=O)N2CC[C@@](C)(O)[C@@H](CC(C)C)C2)cn1 67880247 UTPXIZOWYWNMJX-WMLDXEAASA-N 320.437 2.168 0 50 DEAA CN(CCCc1cnn(C)c1)C(=O)C1(N2CCCC2)CCCC1 65373092 ZPVBRKMBWWPOAZ-UHFFFAOYSA-N 318.465 2.220 0 50 DEAA O=C([C@@H]1CCCN1c1nccs1)N1CCO[C@H]2CCCC[C@H]21 249516916 GEROXVLTIXOLGT-RDBSUJKOSA-N 321.446 2.282 0 50 DEAA Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](N2CCOCC2)C1 67774802 RSQLFKTWDQKHIF-KRWDZBQOSA-N 320.481 2.377 0 50 DEAA Nc1nccc(N2CCc3onc(-c4cccc(F)c4)c3C2)n1 67771826 ATYZDFDLFLWTOA-UHFFFAOYSA-N 311.320 2.416 0 50 DEAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1cccc2c[nH]nc12 328615905 BDTNEXPFANVQKK-GFCCVEGCSA-N 309.373 2.094 0 50 DEAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1OC(F)F 219714788 YKASZPHLLNOQFL-DGCLKSJQSA-N 315.316 2.212 0 50 DEAA O=C(NCc1n[nH]c2c1CCCCC2)c1cnn2c1CCCC2 72128257 BYGRDELGBJHIPL-UHFFFAOYSA-N 313.405 2.141 0 50 DEAA CC(C)c1noc2ncc(C(=O)N3CCC(C(=O)O)CC3)cc12 236674695 VKXFSSLOZGUFQN-UHFFFAOYSA-N 317.345 2.283 0 50 DEAA C[C@@H]1C[C@H](O)CN(C(=O)Nc2cnn(C)c2-c2ccccc2)C1 333190403 OARZKEZVULRDOX-OCCSQVGLSA-N 314.389 2.322 0 50 DEAA Cc1ccc(C(=O)N[C@@H](C(=O)N(C)C)c2ccccc2)cc1O 219885256 QMHOADXWOZGIRF-MRXNPFEDSA-N 312.369 2.260 0 50 DEAA CCOC(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)CC1 252516099 QBYINDNAJUUZNV-BFHYXJOUSA-N 311.426 2.295 0 50 DEAA Cc1ccc(C(=O)N2CCn3c(nnc3C3CC3)C2)c(C2CC2)n1 333720958 VDWNTFAJRFXLFZ-UHFFFAOYSA-N 323.400 2.392 0 50 DEAA Cc1ccc2nc(CCN3C(=O)c4ccccc4C3=O)cn2c1 73647959 BXCMVENTKYZTCA-UHFFFAOYSA-N 305.337 2.481 0 50 DEAA Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)O)ccc32)o1 358470774 OXTMYMLAUBDFNJ-UHFFFAOYSA-N 307.327 2.038 0 50 DEAA c1ccc(CCn2cnnc2Cn2ccnc2-c2ncc[nH]2)cc1 72425532 GHHWLXNDMZDLQP-UHFFFAOYSA-N 319.372 2.156 0 50 DEAA O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(CCCO)CC1 369280952 USYVVRXHVQJRMY-QGZVFWFLSA-N 308.466 2.262 0 50 DEAA CCCc1cc(C(=O)N2CCC(Nc3ncccn3)CC2)no1 77553461 KUDORFPNVBKFDE-UHFFFAOYSA-N 315.377 2.134 0 50 DEAA O=C(/C=C/c1cccc(-c2ccccc2)c1)N1C[C@H](O)C[C@H]1CO 370327934 SWSRGASOMYCKCN-NDUHVBCRSA-N 323.392 2.321 0 50 DEAA CCc1nc(N2CCN([C@H]3CCc4ccccc4C3)CC2)no1 77287408 QIUDALMMWNSGCM-INIZCTEOSA-N 312.417 2.312 0 50 DEAA COc1ccccc1N1CC[C@@H](C)N(C(=O)c2ccon2)CC1 375789034 BHJOXFMMXRXGDV-CYBMUJFWSA-N 315.373 2.424 0 50 DEAA Cc1cc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cs1 376075422 WOGJNAOJRASRBE-CQSZACIVSA-N 319.430 2.376 0 50 DEAA C[C@]1(CNC(=O)Nc2nnc(-c3ccccn3)s2)CCCO1 176546077 ZFPSFSHVHRCLFL-CQSZACIVSA-N 319.390 2.291 0 50 DEAA O=C(NCc1nnc2ccccn12)c1cc(-c2ccsc2)n[nH]1 222621057 AJFGWZASIGKIIK-UHFFFAOYSA-N 324.369 2.111 0 50 DEAA CCOc1cccnc1C(=O)Nc1nc2c(s1)CN(C)CC2 178082120 GYJIJDNGCAXBTD-UHFFFAOYSA-N 318.402 2.177 0 50 DEAA COc1ccc(C(=O)N2CCC[C@H](C3CC3)C2)cc1OCCO 292095391 NUDPBZUINVQXIX-HNNXBMFYSA-N 319.401 2.329 0 50 DEAA CN(C[C@H]1COCCO1)C(=O)c1ccc(-c2nccs2)cc1 426423430 NDFUQIVPDRQPIY-AWEZNQCLSA-N 318.398 2.298 0 50 DEAA Cc1cc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)ccn1 426503402 CBNPBDQKAHHUPM-INIZCTEOSA-N 309.369 2.147 0 50 DEAA 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C[C@@H]1CC(=O)c2cc(C(=O)NC3CCCCC3)c(=O)[nH]c2C1 67640908 ALNOJSCUFADVSA-JTQLQIEISA-N 302.374 2.202 0 50 DEAA Cc1cc(C)c(C(=O)NCc2ccccc2-n2cccn2)c(=O)[nH]1 65495040 JAPIXCDOHPNKET-UHFFFAOYSA-N 322.368 2.107 0 50 DEAA COc1ccccc1Oc1ncccc1CNC(=O)[C@@H](C)CN 67559898 YJDDGEMZJVCVBJ-LBPRGKRZSA-N 315.373 2.094 0 50 DEAA CCOC(=O)c1cccnc1-c1ncccc1C(=O)OCC 1864879 ARVRLHODKKEDGY-UHFFFAOYSA-N 300.314 2.497 0 50 DEAA biogenic O=C(c1ccc(F)cc1O)N1CCC[C@H](c2ccncn2)C1 215868908 KDDWMFIWRNAXLR-NSHDSACASA-N 301.321 2.341 0 50 DEAA CN1CCN(C(=O)c2cccc3c2CCC3)C[C@H]1c1nccn1C 328634898 ULLGTDKOPDBVAR-KRWDZBQOSA-N 324.428 2.038 0 50 DEAA COC(=O)[C@H](Sc1ncnc2c1cnn2C)c1ccsc1 252502158 UMZQXJRKYSGDOT-SNVBAGLBSA-N 320.399 2.431 0 50 DEAA CS(=O)(=O)c1ccc([C@H](O)CNCc2ccccc2F)cc1 314573398 OJFVLZYOOQTLOY-MRXNPFEDSA-N 323.389 2.052 0 50 DEAA CN1CCN(C(=O)c2cc3ccccc3[nH]2)C[C@@H]1c1ncc[nH]1 328625683 KXLJKFAQYUBWKH-OAHLLOKOSA-N 309.373 2.020 0 50 DEAA O=C(O)CC[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)O 71767391 RUFTXGQJJCXTRN-CYBMUJFWSA-N 316.313 2.279 0 50 DEAA CC(C)(C)SCC(=O)NC[C@H]1CCCN1c1cccnn1 253427294 YBHWGFTVBGEHOB-GFCCVEGCSA-N 308.451 2.093 0 50 DEAA COc1cccc(OCc2nc(-c3cnccn3)no2)c1OC 72121777 ZTNSHEGIRDSWLY-UHFFFAOYSA-N 314.301 2.123 0 50 DEAA CCC(=O)N1CC[C@@H](C(=O)N2CCCC[C@@H]2c2nccs2)C1 151235494 CFLITGWQCXUDCT-CHWSQXEVSA-N 321.446 2.455 0 50 DEAA Cc1cc(C)n(CCCNC(=O)[C@H]2CCc3ccccc3O2)n1 215879322 IPOHOUFEICSCMO-QGZVFWFLSA-N 313.401 2.400 0 50 DEAA COc1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)c1 32919334 WZJWIGCQPGNHIA-INIZCTEOSA-N 311.337 2.347 0 50 DEAA COc1ccc(F)c(C(=O)N(C)C2CCN(C)CC2)c1OC 170607531 QUEWEEYTGFFQST-UHFFFAOYSA-N 310.369 2.009 0 50 DEAA O=C(NCCNC1CCCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2N1 262411029 DGZMMFMPEIZOPW-UAGQMJEPSA-N 307.482 2.336 0 50 DEAA Cc1nc(C)c(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)o1 331585533 LNRRAPGGCVIKQW-KGLIPLIRSA-N 304.321 2.379 0 50 DEAA C[C@@H]1CN(C(=O)Nc2cnn(-c3ncccn3)c2)CCC1(F)F 332678444 OKJKKFYNWGTSDP-SNVBAGLBSA-N 322.319 2.171 0 50 DEAA COC[C@H](C)n1c(CCCC(=O)N2CCC2)nc2cccnc21 77388973 UZKDIBZRIGDBCC-ZDUSSCGKSA-N 316.405 2.194 0 50 DEAA CC(C)Oc1cccc(CC(=O)N2CCC(C(=O)O)CC2)c1 236754638 WMYUNASHWCMTSN-UHFFFAOYSA-N 305.374 2.340 0 50 DEAA Cc1cc(=O)cc(C(=O)NC2CCN(C3CCCC3)CC2)o1 219318163 DRHLSMPASBVDKR-UHFFFAOYSA-N 304.390 2.085 0 50 DEAA CCO[C@@H]1C[C@@](NC(=O)[C@@H]2Cc3ccccc32)(C(=O)O)C1(C)C 262849030 WIDODNVLURNBDI-HBUWYVDXSA-N 317.385 2.101 0 50 DEAA Cc1noc(C)c1C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 262954846 KDSUCFPGNHQPJP-LBPRGKRZSA-N 306.293 2.376 0 50 DEAA Cc1cc(NC(=O)NC2CCN(C(=O)c3ccco3)CC2)on1 171142608 QPWJCCPFBVTCAX-UHFFFAOYSA-N 318.333 2.002 0 50 DEAA CN(Cc1cnc2ccccc2c1)C(=O)c1n[nH]c(N)c1Cl 223445693 BPTUQLSIJWFUKJ-UHFFFAOYSA-N 315.764 2.466 0 50 DEAA C[C@H](C(=O)NS(=O)(=O)c1cccc(F)c1F)C(C)(F)F 816029326 AXNZSNZYXNAUMM-ZCFIWIBFSA-N 313.272 2.061 0 50 DEAA CCc1cccc(C)c1NC(=O)CN1CC[S@](=O)[C@@H](C)[C@H]1C 239654284 BNGWGYIPVBFIDM-QLEMLULZSA-N 322.474 2.337 0 50 DEAA Nc1ncnc(N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1Cl 281451422 AGYJNXWCQJIVBP-QWRGUYRKSA-N 308.744 2.164 0 50 DEAA CCc1nc2ccccc2n1CCC(=O)NCC1(C)COC1 426661354 QGWHRSKJCQKOEQ-UHFFFAOYSA-N 301.390 2.142 0 50 DEAA CCCn1ncnc1[C@@H](C)NC(=O)CCOc1ccccc1 223243414 IKGJETGVRWTIGD-CYBMUJFWSA-N 302.378 2.334 0 50 DEAA CCCn1c(NC(=O)[C@@H]2CCN(C(C)=O)C2)nc2ccccc21 175266835 VPBCLHXCTHLHDM-CYBMUJFWSA-N 314.389 2.253 0 50 DEAA COc1cc(C(=O)O)cc(C(=O)N(C)[C@@H](C)c2ccncn2)c1 426470949 VOWHFUCTTGXVSL-JTQLQIEISA-N 315.329 2.017 0 50 DEAA c1ccc2c(c1)cnn2CCCNc1cc([C@@H]2CCOC2)ncn1 426533913 XPHPZWRPQOHVMO-OAHLLOKOSA-N 323.400 2.832 0 50 DEAA Cc1nc(C)c(CC(=O)N2CC(N3CCCC[C@@H]3C)C2)s1 97729642 OZVHPDBSWKXXRL-NSHDSACASA-N 307.463 2.388 0 50 DEAA CNCc1nnc(Sc2ccc(C(F)(F)F)cn2)n1C 426555659 QGIHKJQHMVVVFU-UHFFFAOYSA-N 303.313 2.100 0 50 DEAA CCNC(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 91656657 SXNUBDAUQTXXGH-KRWDZBQOSA-N 309.454 2.467 0 50 DEAA Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C(=O)O)C(C)C 236705974 IHFZHIBCCOSULY-ZDUSSCGKSA-N 322.386 2.479 0 50 DEAA O=C(CN1C[C@H](c2ccccc2)CC1=O)NCc1ccsc1 96163457 MDNHFGKEONRQBS-OAHLLOKOSA-N 314.410 2.380 0 50 DEAA CC[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1c(N)noc1C 289803120 JNSFNMZVAVRRHY-CYBMUJFWSA-N 321.402 2.091 0 50 DEAA CN1CC[C@H]2CN(C/C=C/c3ccc(F)cc3)C[C@@]2(C(=O)O)C1 92064747 RIRFLUOLNQJVAP-YWWBLUBBSA-N 318.392 2.177 0 50 DEAA CCC[C@@]1(CO)CCCN(C(=O)CCc2csc(N)n2)C1 91504618 HZYSFUKOHIHODJ-OAHLLOKOSA-N 311.451 2.059 0 50 DEAA COc1ccc(/C=C/CN2C[C@H](O)[C@@H](N3CCCCC3)C2)cc1 97758076 MBKNUZRGGVQVAF-WLMAVBAVSA-N 316.445 2.239 0 50 DEAA CC[C@H](NC(=O)CC1CCN(C(C)C)CC1)c1nc(C)no1 95508377 LMSSBNRWJFLMHN-AWEZNQCLSA-N 308.426 2.456 0 50 DEAA CN(c1ccccc1)c1ccc(C(=O)N2CC[C@H](CN)C2)cn1 178587411 CCSVZHWBJZUSBR-CQSZACIVSA-N 310.401 2.270 0 50 DEAA CCCC[C@@H](NC(=O)Cn1nc(C)cc1N)c1cccnc1 243932142 BTOROJFBGUQPOR-CQSZACIVSA-N 301.394 2.216 0 50 DEAA CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc3ncsc3c2)C1 179229352 BKFILIDTGGTOJC-LBPRGKRZSA-N 317.414 2.237 0 50 DEAA CCn1c(CNC/C=C/c2ccccc2)nnc1[C@H]1C[C@@H](N)C1 252537433 LDXCPGGAJVOJIZ-OFVOXDDOSA-N 311.433 2.306 0 50 DEAA CCOc1cc(C(=O)N2CCOC[C@@H]2c2ccc(CC)o2)on1 295848105 NPTHKWZHLPYZFA-GFCCVEGCSA-N 320.345 2.442 0 50 DEAA Nc1n[nH]c(CN[C@@H](CCc2ccc(F)cc2)C2CCC2)n1 534577259 NZNSUOQIJBTDHM-AWEZNQCLSA-N 303.385 2.417 0 50 DEAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NCC1(CO)CCCC1 534633005 WRUDRLGVMAOFHP-UHFFFAOYSA-N 322.453 2.401 0 50 DEAA CCc1ncc(S(=O)(=O)NC2(c3cccc(C)c3)CC2)[nH]1 534586242 WIIIVHXXACCUEP-UHFFFAOYSA-N 305.403 2.248 0 50 DEAA Cc1nnc(NCCCN2CCC[C@H](O)C2)c2ccccc12 828627423 VUIQSRBBYKGSFE-AWEZNQCLSA-N 300.406 2.197 0 50 DEAA Cn1nccc1CN1CCC(n2cc(Br)cn2)CC1 241439840 NMQKOWCKTHCVMT-UHFFFAOYSA-N 324.226 2.216 0 50 DEAA Oc1ccc([C@H]2CN(c3ncnc4c3CCCC4)CCN2)cc1 1434446334 LJWPHHBQUSCMQO-QGZVFWFLSA-N 310.401 2.212 0 50 DEAA CCSc1ccccc1NC(=O)[C@@H](C)N1CCN(C)CC1 952872268 LQDZAZYFROMAKO-CYBMUJFWSA-N 307.463 2.373 0 50 DEAA O[C@@H]1CN(c2ncnc3ccccc23)C[C@H]1Oc1ccccc1 1458539081 XXSQCVSNJFCPEY-IAGOWNOFSA-N 307.353 2.258 0 50 DEAA CN(Cc1cnccn1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 269318526 LBHUODHEWLSXJK-CQSZACIVSA-N 318.421 2.500 0 50 DEAA CCc1nc2ccccc2c(C(=O)N2CCS(=O)CC2)c1C 407995093 GAKICDLITGDLNC-UHFFFAOYSA-N 316.426 2.310 0 50 DEAA Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CC[S@@](=O)C2)o1 408309944 OXEBZLZIDAQEJJ-RRMDADRESA-N 310.419 2.346 0 50 DEAA CC(C)c1noc([C@@H](NC(=O)c2cc[nH]c2)C2CCOCC2)n1 275422245 CCNGKMPDIFGFNE-ZDUSSCGKSA-N 318.377 2.419 0 50 DEAA Cc1cc(C)c(N2CC[C@@H](NCc3csnn3)C2=O)c(C)c1 188125467 MRKXYCFCIBZYRN-CQSZACIVSA-N 316.430 2.358 0 50 DEAA O=C(O)[C@H]1CCCCN1C(=O)c1ccnc(OC2CCC2)c1 190549293 OIEGTPNQZLSUGW-CYBMUJFWSA-N 304.346 2.092 0 50 DEAA CN(C[C@H]1OCCc2ccccc21)C(=O)CCc1ncccn1 643188949 BRVGUTACMKAFJE-MRXNPFEDSA-N 311.385 2.182 0 50 DEAA Cc1nnc(COC2CN([C@H](C)Cc3ccccc3F)C2)o1 643832269 YKUXWBATLDFFQY-LLVKDONJSA-N 305.353 2.349 0 50 DEAA N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C3CC4(CCC4)C3)C2)C1 653181747 JHEVDJYZVVSQBM-BMFZPTHFSA-N 306.450 2.312 0 50 DEAA Cc1nc(CC(=O)N[C@](C)(C(=O)O)c2ccccc2)c(C)s1 663142910 ZRHHFNDXPBSZQG-INIZCTEOSA-N 318.398 2.419 0 50 DEAA Cc1ccc(F)c(CCNC(=O)N2CCn3ccnc3C2)c1 583308010 VJFRPMPCLSHURY-UHFFFAOYSA-N 302.353 2.099 0 50 DEAA CON(C)CCNCc1ccc(N(C)c2ccccc2)nc1 585118442 OXAFRLCTZDFYIW-UHFFFAOYSA-N 300.406 2.432 0 50 DEAA Cc1noc([C@H](C)NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)n1 586869705 SXIBATQFMAZPLA-CKLFPEKLSA-N 304.325 2.433 0 50 DEAA O=C(c1cnccn1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529126332 CDZYPXVVBNNGSE-DLBZAZTESA-N 309.369 2.469 0 50 DEAA O=C(c1ccoc1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529168085 WXUDYRFJQXJJEX-IAGOWNOFSA-N 312.369 2.178 0 50 DEAA O=c1/c(=C/c2ccco2)sc2nc(-c3cccs3)nn12 199584 PHBMCWYDSGWCLH-YFHOEESVSA-N 301.352 2.020 0 50 DEAA CC1=C(C)C[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)[C@@H](C(=O)O)C1 5006394 GCDJCSFKJZMGGT-KGLIPLIRSA-N 316.357 2.171 0 50 DEAA CCc1ccc(-n2nnc(C(=O)NCc3cccnc3)c2C)cc1 11616008 BXDKHWSUGXLKFD-UHFFFAOYSA-N 321.384 2.463 0 50 DEAA Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCCC(C)C 13583276 NAHISRNFZKZONA-UHFFFAOYSA-N 312.435 2.021 0 50 DEAA CC[C@@H]1CCCCN1C(=O)CCNS(=O)(=O)c1ccccc1 16626929 SEQMNHMVLDXUSD-CQSZACIVSA-N 324.446 2.146 0 50 DEAA CCOc1ccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)cc1 19799526 LKERDBQHXKSKKO-HNNXBMFYSA-N 302.374 2.203 0 50 DEAA COc1cnc(C)cc1C(=O)N1CC(N2CCCC[C@@H]2C)C1 1857678457 GOBRXOCBMUXSIX-ZDUSSCGKSA-N 303.406 2.097 0 50 DEAA C[C@@H]1CN2C[C@@H](NC(=O)c3cccc4ccccc34)C[C@H]2CO1 1857733493 MEWDONMIPPDRMO-KBMXLJTQSA-N 310.397 2.431 0 50 DEAA COC[C@]1(C)CN(Cc2ccc(C(=O)O)c(Cl)c2)CCO1 629379961 UFKRUAGRPNTBPW-HNNXBMFYSA-N 313.781 2.276 0 50 DEAA O[C@H]1CCCC[C@@H]1Nc1nccn2nc(C(F)(F)F)cc12 129382632 YUDGKFAXBDKWAU-WPRPVWTQSA-N 300.284 2.464 0 50 DEAA COCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC[C@H](N)C1 247838369 JYPUOZUVNFELOL-ZBFHGGJFSA-N 308.397 2.318 0 50 DEAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N[C@@H](C1CC1)C1(CO)CCOCC1 585126627 DNCLMBZCHNEPQN-SCNOPHJPSA-N 321.461 2.497 0 50 DEAA C[C@H](C(=O)Nc1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH]n1)n1cncn1 266503720 ZSCPYLRYRSSKFY-NOOOWODRSA-N 300.366 2.105 0 50 DEAA C[C@@H]1CN(C(=O)[C@H](O)c2cccc(C(F)(F)F)c2)CCC1=O 803123000 FXQVYLRJAPEPOA-NOZJJQNGSA-N 315.291 2.176 0 50 DEAA O=C(O)[C@H]1CCc2sc(NC(=O)[C@H]3CCCS3)nc2C1 910678122 VKGWNHJQETVEHH-OIBJUYFYSA-N 312.416 2.167 0 50 DEAA O=C(NCC[C@]1(O)CCCOC1)c1ccsc1C(F)F 824090170 SOFYHIMDQXYHPR-CYBMUJFWSA-N 305.346 2.347 0 50 DEAA Cc1nccc(NC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)n1 930836945 JSXKKZLPIGZNCQ-CQSZACIVSA-N 324.388 2.197 0 50 DEAA c1ccc(-n2nnnc2CN2CCC(c3ncco3)CC2)cc1 931455332 PWFHSDXKVUXSDM-UHFFFAOYSA-N 310.361 2.030 0 50 DEAA CN1Cc2nncn2C[C@H]1c1nc(CCCc2ccccc2)no1 952893796 JMTQHGVOLWOEKU-AWEZNQCLSA-N 324.388 2.023 0 50 DEAA CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C2(O)CC2)c1 1875290413 CSENJQMJLWURND-UHFFFAOYSA-N 310.781 2.284 0 50 DEAA CC[C@@H]1CC[C@@H](C)N1C(=O)CS(=O)(=O)CCC(F)(F)F 1875278947 FKSKOSYUHXSOEQ-NXEZZACHSA-N 315.357 2.143 0 50 DEAA Cc1ncc(CN2CCN(c3cccc4cnccc34)C(=O)C2)o1 1875271498 YLBREAYYTJIEAG-UHFFFAOYSA-N 322.368 2.380 0 50 DEAA COCCn1cc([C@H]2OCC[C@@H]2NCc2ccoc2C)cn1 888076033 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KTYHVIDMTYUYMJ-CYBMUJFWSA-N 301.346 2.155 0 50 DEAA O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H]1c1cccnc1 78594122 ZPYXAGNBZNTPPY-OAHLLOKOSA-N 320.352 2.067 0 50 DEAA O=C(O)C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(Cl)c(F)c1 237953710 GIIRBFHDUYKMQQ-RYUDHWBXSA-N 315.728 2.290 0 50 DEAA CCN(C)C(=O)c1ccc(N2CC(N3CCCC[C@H]3C)C2)nc1 77385560 JWRMXRHKKYPQHD-CQSZACIVSA-N 316.449 2.237 0 50 DEAA O=C(c1ccc(O)nc1)N1CCNC[C@@H]1c1ccccc1Cl 262032909 SOMCBEIWIWNKGD-CQSZACIVSA-N 317.776 2.227 0 50 DEAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1n[nH]c2ccccc12 214980435 DOVJBOMPXCQHRJ-GFCCVEGCSA-N 315.373 2.021 0 50 DEAA O[C@H]1CCN(Cc2nnnn2-c2ccccc2)Cc2ccccc21 373127160 SADQABCHEAPHQY-KRWDZBQOSA-N 321.384 2.102 0 50 DEAA Cc1cc(Br)cc(C(=O)NCCCCC(N)=O)c1 130460918 YEMSIRZDZGEBQQ-UHFFFAOYSA-N 313.195 2.143 0 50 DEAA CC(C)N1CCC(N(C)C(=O)c2c[nH]c3nccc-3c2)CC1 333509020 DTNQPRPOFDQHKK-UHFFFAOYSA-N 300.406 2.459 0 50 DEAA C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN(c3ncccn3)C2)C1 242273461 YCWUDPDXOFROQA-ZNMIVQPWSA-N 302.422 2.198 0 50 DEAA NC[C@H]1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 82099570 UWXGJWZOLJXPAQ-CQSZACIVSA-N 320.396 2.422 0 50 DEAA Cc1nnc(SCC(=O)N(C)Cc2cc(C(C)C)no2)o1 426536003 ZIEMEYPZQMPVCQ-UHFFFAOYSA-N 310.379 2.240 0 50 DEAA CCOc1ccccc1CCNc1cc([C@@H]2CCOC2)ncn1 426438991 RGTSTSOCVWQBQY-OAHLLOKOSA-N 313.401 3.034 0 50 DEAA CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)NCCC(=O)O 426403593 SPUSYNRYJREDBT-QGZVFWFLSA-N 304.390 2.470 0 50 DEAA C[C@H](c1ccncn1)N(C)C(=O)CN1CCc2ccccc2C1 223048303 RXWKAOGUPAPSHE-CQSZACIVSA-N 310.401 2.054 0 50 DEAA Cc1cnc(CN(C)C(=O)N[C@H]2COC3(CCCCC3)C2)[nH]1 426673978 DMROHBUZAAXVKD-CYBMUJFWSA-N 306.410 2.351 0 50 DEAA Cc1ncc(C(=O)NCCN2CCC(c3ccccc3)CC2)cn1 97515033 ONWSWODAKKBCBF-UHFFFAOYSA-N 324.428 2.394 0 50 DEAA Cc1cc(C)n(Cc2cccc(-c3nc(C)nn3CCO)c2)n1 91536500 GXSDDPZGXSETPV-UHFFFAOYSA-N 311.389 2.107 0 50 DEAA Cc1cc(NC(=O)NC[C@@H]2CCCN2)n(Cc2ccccc2)n1 97655427 NIHPFQKGWFPZTN-HNNXBMFYSA-N 313.405 2.113 0 50 DEAA CC(C)(C)c1csc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)n1 239203143 RUQGRUXMYOOQJC-DEKFOEGESA-N 324.402 2.257 0 50 DEAA Cc1ccccc1CC(=O)NC[C@H]1CCCN(c2ncccn2)C1 94103950 PUJBDDBSFSFDDZ-MRXNPFEDSA-N 324.428 2.360 0 50 DEAA C[C@]1(c2ccccc2)CCC(=O)N(CCCN2CCOCC2)C1 91986022 RLWXQBJVSABUJY-IBGZPJMESA-N 316.445 2.289 0 50 DEAA C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CC[C@@H](CN)C1 178562168 SXCIGEOKXQVNMW-QWRGUYRKSA-N 316.323 2.280 0 50 DEAA CN(C)c1cccc(CNc2ncnc3c2ncn3C2CC2)n1 292815707 SHPUKUVSJALNBV-UHFFFAOYSA-N 309.377 2.234 0 50 DEAA O=C(O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C[C@H]23)[C@H]1C(=O)NCCc1ccccc1 252394308 FXAYKETVPJKOOZ-OVYBAWALSA-N 311.381 2.114 0 50 DEAA Cc1nnc2ncc(-c3ccc([C@H](C)N4CCOCC4)cc3)cn12 534591497 ABUMCVURRQCIQZ-ZDUSSCGKSA-N 323.400 2.493 0 50 DEAA O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1ncccc1O 299743115 LWIIXMMNNWAALD-LRDDRELGSA-N 316.332 2.434 0 50 DEAA CCCn1ncnc1[C@H](C)n1cnc2ccc(OC)cc2c1=O 584904079 BUWVIFRBOJAKBR-NSHDSACASA-N 313.361 2.016 0 50 DEAA O=S(=O)(Cc1ccccc1)NCc1n[nH]c2c1CCCCC2 670455266 WCCQKLRNXCWBOC-UHFFFAOYSA-N 319.430 2.298 0 50 DEAA O=C(CCC(=O)N1CC[C@H]1c1cccs1)Nc1nncs1 952872964 SJILNVSETSZUJZ-VIFPVBQESA-N 322.415 2.292 0 50 DEAA CCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](OC)C1 952971023 IKXMGWALEFGQNC-CYBMUJFWSA-N 313.419 2.193 0 50 DEAA N[C@H]1CC[C@@H](CN2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)CC1 1565526361 LXWUFXQVPGHNNG-XBVQOTNRSA-N 302.418 2.304 0 50 DEAA O=C(C1CCNCC1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 269080732 HUTWYHWHAIAUNI-DLBZAZTESA-N 302.418 2.101 0 50 DEAA Cc1ccc(CN2CC[C@@H](NC(=O)NC3CC(C)C3)C2=O)cc1 276844006 ILAOSAJSDGCKMT-AVVWSFFYSA-N 315.417 2.194 0 50 DEAA CC(=O)Nc1ccc(C(=O)N2CCC[C@H](N(C)C)CC2)cc1 277333011 RWSUKYXAFIPKJZ-INIZCTEOSA-N 303.406 2.201 0 50 DEAA CC[C@@]1(O)CCCN(S(=O)(=O)c2cc(C)ccc2F)C1 632665800 CVGIYQHJBKXDBA-CQSZACIVSA-N 301.383 2.060 0 50 DEAA CC(C)(C)[C@H](CO)NC(=O)c1ccc(-c2ccco2)nc1O 278690272 JEPNWNSKGBHWQA-ZDUSSCGKSA-N 304.346 2.184 0 50 DEAA COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)COC(C)C)cc1 583616173 RTPFUJDURJQOAV-SJLPKXTDSA-N 321.417 2.319 0 50 DEAA O=C(CCc1cccnc1)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 653328201 FWCJQURKSYFALL-CVEARBPZSA-N 310.353 2.444 0 50 DEAA CN(C)C(=O)N1CCC(C(=O)Nc2cccnc2C2CC2)CC1 1615617978 ASBXZOPYXXNQHH-UHFFFAOYSA-N 316.405 2.291 0 50 DEAA CC(C)(C)OC(=O)N1CCn2c(nnc2[C@@]2(C)CCCO2)C1 1616039035 SPYHMSAEJZIGCR-OAHLLOKOSA-N 308.382 2.054 0 50 DEAA O=C(NCC1[C@@H]2COC[C@@H]12)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 1616043262 VSHTXEWNWMIESK-UKJIMTQDSA-N 312.360 2.241 0 50 DEAA Cc1nc(CN2CCc3nc[nH]c3[C@@H]2c2cccnc2)n(C)c1C 1506422834 AGICDDBHSQMVNM-SFHVURJKSA-N 322.416 2.303 0 50 DEAA CCC[C@H]1COC[C@H]2CN(C(=O)Cc3ccsc3)CCN12 1529189088 FUXNLKWXYMTTEX-LSDHHAIUSA-N 308.447 2.002 0 50 DEAA CCN(C)c1ccccc1CNC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 110681327 XKVVFVZHEIFQBG-IJEWVQPXSA-N 303.406 2.262 0 50 DEAA CN(CC(=O)N1CCC(C2(O)CC2)CC1)Cc1ccc(F)cc1 1772809049 KSWXADBCENUIRA-UHFFFAOYSA-N 320.408 2.021 0 50 DEAA COc1nc(NCC2(O)C3CC4CC(C3)CC2C4)ncc1F 1772702837 USHBRNUDJUDFQP-UHFFFAOYSA-N 307.369 2.223 0 50 DEAA COCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 11990257 AGGAQAHNGSRLRV-UHFFFAOYSA-N 308.359 2.412 0 50 DEAA Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCCC2)n[nH]1 12447526 NXSSTYMKHIOQGS-UHFFFAOYSA-N 309.373 2.352 0 50 DEAA CCCCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 12647533 DXVKPOQOSMIWRN-UHFFFAOYSA-N 324.450 2.362 0 50 DEAA CCN1CCN(C[C@H](O)COc2ccc(Cl)cc2C)CC1 19781863 SENHSIZFHQXDGW-HNNXBMFYSA-N 312.841 2.026 0 50 DEAA CCCCCOc1ccccc1/C=c1/sc2ncnn2c1=O 2364752 SFUKNSYLMPWUKV-GXDHUFHOSA-N 315.398 2.268 0 50 DEAA Cc1cc(C(=O)N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)ccc1Cl 1857669024 CAWAFZALXWNMTH-BLLLJJGKSA-N 323.776 2.212 0 50 DEAA O=C(c1cncc(F)c1)N1CCc2[nH]nc(C3CC3)c2CC1 1857680304 KFPUCZXLIXCADL-UHFFFAOYSA-N 300.337 2.062 0 50 DEAA c1cc(-c2nccn2CC[C@H]2COCCN2)c2ccncc2c1 1857682582 KAIPJRMUQZCBNY-HNNXBMFYSA-N 308.385 2.477 0 50 DEAA Cc1nn(C)c(C)c1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 407982258 XIEFRASJUZBWRQ-HUUCEWRRSA-N 317.364 2.124 0 50 DEAA C[C@@H](C(=O)N1CCN(c2cc(C3(C)CC3)n[nH]2)CC1)C1CC1 225425138 RVFUEWYSJSBEFP-GFCCVEGCSA-N 302.422 2.156 0 50 DEAA CCc1ccc([C@@H](C)CC(=O)N2CCO[C@H](C(=O)O)C2)cc1 236950050 QNJPACPAWIUBQF-WFASDCNBSA-N 305.374 2.055 0 50 DEAA CN(Cc1cc(Cl)ccc1F)C(=O)[C@H]1CCc2nncn2C1 350617026 YVKHSOKSFBSFFL-JTQLQIEISA-N 322.771 2.292 0 50 DEAA Cc1ccc(-c2nnc(CN3C(=O)CO[C@H]4C=CC=C[C@@H]43)o2)cc1 670427756 DBOQINQGFZLLAZ-GJZGRUSLSA-N 323.352 2.267 0 50 DEAA O=C(O)[C@H]1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1 136122377 YGTSVKBCQUENGM-AWEZNQCLSA-N 303.358 2.412 0 50 DEAA C[C@H]1CN(C(=O)c2ccc(N3CCCC3)c(F)c2)C[C@@H](C)N1 153963461 RZAPYVLOYDYTFV-BETUJISGSA-N 305.397 2.248 0 50 DEAA Cc1nn(C)c2nccc(N3CCC(O)(C(F)(F)F)CC3)c12 583987750 NOYNDKXDNCTYIJ-UHFFFAOYSA-N 314.311 2.170 0 50 DEAA CCn1nc(C)c(C(=O)Nc2ccc(N3CCCCC3)cn2)n1 815095231 UGBRMOOBBHWINC-UHFFFAOYSA-N 314.393 2.244 0 50 DEAA Cc1nn(C)c2ncc(NC(=O)N3CCCC[C@@H]3[C@H](C)O)cc12 952879446 IIQKXFFLCGLNLJ-SMDDNHRTSA-N 317.393 2.044 0 50 DEAA O=C(O)c1cn([C@@H]2CCN(C/C=C/c3ccc(F)cc3)C2)nn1 1875266332 PGPXCJFERVKFCZ-VSZDKKFSSA-N 316.336 2.076 0 50 DEAA COC[C@H]1CCCCN(c2nnc(Cc3cccnc3)n2C)C1 1875280701 XXLAEBSXXOJYHE-HNNXBMFYSA-N 315.421 2.054 0 50 DEAA Cc1ccc(NC(=O)[C@@]2(N)CC[C@@H](C)C2)cc1C(=O)NC1CC1 1875301880 UQZAEGZMBITDIS-ADLMAVQZSA-N 315.417 2.343 0 50 DEAA CCO[C@@H](CNC(=O)NC12CC(C(=O)O)(C1)C2)C1CCCCC1 1875358520 YYNVGXGIJQHHIE-IGEOTXOUSA-N 324.421 2.278 0 50 DEAA C[C@]1(c2ccccc2)C[C@H]1C(=O)NCC(=O)Nc1cccnc1 878609358 YJNSHKWYNMXFDT-MAUKXSAKSA-N 309.369 2.114 0 50 DEAA CC1(C)C[C@H]1C(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1 890862504 LZOHKDWCZOJJSQ-AWEZNQCLSA-N 322.430 2.253 0 50 DEAA Cc1nc(CC(=O)Nc2cn(CC(C)C)nc2C(F)F)n[nH]1 1775988026 BUQGXCSHUZPTRY-UHFFFAOYSA-N 312.324 2.084 0 50 DEAA O=C(O)c1ccc(OC[C@@H](O)Cn2cnc3ccccc32)cc1 98495 GCLQRRKSNUDMPL-ZDUSSCGKSA-N 312.325 2.174 0 50 DEAA CN(C)Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)c(CO)c1 2356134982 LJFPRRKNPOKJSJ-UHFFFAOYSA-N 319.426 2.311 0 50 DEAA CCS(=O)(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 4809543 MAUOPJYSAQQTLN-UHFFFAOYSA-N 310.419 2.320 0 50 DEAA CC(C)C(=O)Nc1ccccc1C(=O)NCCCn1ccnc1 10313241 FYDDPMVUUPUCSZ-UHFFFAOYSA-N 314.389 2.298 0 50 DEAA Cc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)nc1 100621308 VZHXYDWDWWJOPV-UHFFFAOYSA-N 321.336 2.219 0 50 DEAA biogenic COCCS(=O)(=O)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 245383910 SHWPEVZAWJAAMP-BYNSBNAKSA-N 301.452 2.253 0 50 DEAA O=C(c1cccnc1N1CC[C@H]2CC[C@@H](C1)N2)N1CCCCC1 65452007 AHCFKNAHMSYZKH-CABCVRRESA-N 314.433 2.038 0 50 DEAA COc1ccc(F)c(F)c1CN1CCC2(CC1)CNC(=O)C2 65366025 ISUKQZFWUFCPRV-UHFFFAOYSA-N 310.344 2.076 0 50 DEAA CC(C)Cc1noc(CN(C)[C@H](C)C(=O)NC2CCCC2)n1 65529710 BHAHUDGKDKBRFD-GFCCVEGCSA-N 308.426 2.147 0 50 DEAA CCCN1CCC(CNC(=O)c2ccc(NC(C)=O)cc2)CC1 67967542 VVHPGOCUVFGYDB-UHFFFAOYSA-N 317.433 2.497 0 50 DEAA Cc1cccc(N([C@@H](C)C(=O)N2CCCCC2)S(C)(=O)=O)c1 65363474 HCPSDZOFYAPJIE-AWEZNQCLSA-N 324.446 2.162 0 50 DEAA CC(C)[C@@H](C)N[C@@H](C)C(=O)NCCCN(C)CC(F)(F)F 170595924 IOJVDWQNOODWIF-NEPJUHHUSA-N 311.392 2.009 0 50 DEAA CCc1ncc2c(n1)CN(C(=O)c1c(C)[nH]c(C(C)=O)c1C)C2 67688880 UXDKCSWTJUOCNT-UHFFFAOYSA-N 312.373 2.343 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299779945 JCTVKBMEUPCVCH-CQSZACIVSA-N 314.385 2.355 0 50 DEAA CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc(C(=O)O)cc1 268916570 QNQHZZFBEWINSJ-JOZWUWCOSA-N 303.358 2.426 0 50 DEAA Cc1ccc(C)c2c(C)c(C(=O)NCCc3nc(O)n[nH]3)oc12 952875953 NMFVRGNIRQPCPU-UHFFFAOYSA-N 314.345 2.154 0 50 DEAA O=C1CCNC(=O)N1Cc1ccccc1OCC(F)(F)F 1875278792 GTHIZKAYLYDDQC-UHFFFAOYSA-N 302.252 2.070 0 50 DEAA Cc1nc2ccc(C(=O)Nc3ccc(-n4nccn4)nc3)cc2[nH]1 1875258143 CCGSWINZNJOXQF-UHFFFAOYSA-N 319.328 2.099 0 50 DEAA NC(=O)c1cc2cc(NC(=O)c3n[nH]cc3C3CC3)ccc2[nH]1 1875333192 HMHFSWYJUPFYLU-UHFFFAOYSA-N 309.329 2.120 0 50 DEAA Cc1c(-c2ccccc2)n[nH]c1CN1CCc2c[nH]c(=N)nc2C1 1875308001 PCYSVTCBNNBUQL-UHFFFAOYSA-N 320.400 2.146 0 50 DEAA COc1cc(C)c2c(c1)O[C@@]1(c3cccnc3)C[C@H]2NC(=O)N1 1875319412 BMJMUNWEMSAWJK-CXAGYDPISA-N 311.341 2.388 0 50 DEAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)C2CC=CC2)c1 952980598 LUIBDHNQFNVSBN-UHFFFAOYSA-N 301.390 2.400 0 50 DEAA Nc1nnc(SCC(=O)N2CC[C@H]2c2cccs2)s1 952979056 UFGIHEUEPNZHBC-ZETCQYMHSA-N 312.445 2.248 0 50 DEAA O=C(O)c1ccc(/C=C/C(=O)N2CCN3CCCC[C@@H]3C2)cc1 888095918 KONWVPISIKUMGC-YXMGTMDOSA-N 314.385 2.095 0 50 DEAA CN1C(=O)C[C@@H](CNc2ncc(Cl)cn2)[C@@H]1c1ccncc1 886082265 QXMWAGOYEVQMDD-FZMZJTMJSA-N 317.780 2.157 0 50 DEAA CN(C(N)=O)c1cccc(NCc2ccnn2-c2ccncc2)c1 1178615205 TWFBHCCSALMIOL-UHFFFAOYSA-N 322.372 2.394 0 50 DEAA O=C(Nc1nccc(C2CC2)n1)c1ccn(CC(F)(F)F)n1 1772129580 TZQVNZIRLOHQGO-UHFFFAOYSA-N 311.267 2.365 0 50 DEAA CCC[C@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@@H]1NC(C)=O 1565531098 WXDAZHXTVWTHIZ-RDJZCZTQSA-N 317.433 2.129 0 50 DEAA CC[C@@H]1C(=O)N(c2ccc(CNC(C)=O)cc2)C(=O)N1C1CC1 277940367 BYIKCUJUVDDJSG-OAHLLOKOSA-N 315.373 2.032 0 50 DEAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1C[C@@H](C)N[C@H](C)C1 408513553 NUJGWMIRUJUKJW-MXWKQRLJSA-N 314.788 2.455 0 50 DEAA CCOC(CC(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1)OCC 170608079 HYBAMTCJUAGJTE-ZBFHGGJFSA-N 324.465 2.251 0 50 DEAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cn1 172317203 METOXLVDTFIECL-CQSZACIVSA-N 316.744 2.387 0 50 DEAA Cc1ccccc1CS(=O)(=O)N1CCCC[C@@H]1CC(=O)O 646035229 CHMWSPCHVCRUPD-CQSZACIVSA-N 311.403 2.154 0 50 DEAA COc1cc(-c2noc([C@H](CC(C)C)NC(C)=O)n2)ccn1 192707017 JGAAFXYIPNIDAE-LBPRGKRZSA-N 304.350 2.364 0 50 DEAA O=C(c1ccc(-c2ccccc2)[nH]1)N1CCOC[C@]12CCOC2 194375463 WOAHAIOEYJHKHT-GOSISDBHSA-N 312.369 2.313 0 50 DEAA Cc1nscc1C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 653329463 WVIJYFGJTKSRSC-WCQYABFASA-N 302.355 2.495 0 50 DEAA O=C1Cc2c(C(=O)N3CC[C@H](c4ccccc4)C3)ccnc2N1 667576702 TZSJVQYRIYYUGM-ZDUSSCGKSA-N 307.353 2.206 0 50 DEAA COc1cc(C)nc(N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 583615864 FJJFFUMUFLFDHT-RISCZKNCSA-N 321.327 2.384 0 50 DEAA C/C(=C\C(=O)NCc1nnc(S)n1C1CC1)c1ccncc1 584907909 NUCAVBQYDCFMGJ-CSKARUKUSA-N 315.402 2.016 0 50 DEAA Cn1ccnc1C(=O)NC[C@@H]1CCN(c2cccc(Cl)c2)C1 1506407667 RFVSRHWEZQMCHS-LBPRGKRZSA-N 318.808 2.330 0 50 DEAA CN(C)CCN(Cc1cnc[nH]1)C(=O)[C@H]1CCc2ccccc21 1704310784 SLLRZZLXJRINCD-KRWDZBQOSA-N 312.417 2.030 0 50 DEAA O=C(COC[C@H]1CCCO1)N1CCC[C@H]1CCc1ccccn1 1615585654 FXTZQCQBGNLMDH-DLBZAZTESA-N 318.417 2.201 0 50 DEAA CC[C@]12C[C@H]1CN(c1nc(N)c3cc(OC)c(OC)cc3n1)C2 1772816247 JKBPQBTXGYRKJN-DYZYQPBXSA-N 314.389 2.466 0 50 DEAA CCCCN1CCN(c2nnc([C@H](N)c3ccccc3)o2)CC1 1772706175 MFUSUZMUVPUSEM-OAHLLOKOSA-N 315.421 2.040 0 50 DEAA CN(C)c1ncc2c(n1)CCC[C@@H]2NC1CSCCSC1 11754249 QNCZLIOWHOPRJZ-ZDUSSCGKSA-N 324.519 2.358 0 50 DEAA CCCN1CCN(C(=O)Cc2cccc(Cl)c2)CCC1=O 14878929 SCKUBPAAMSABTP-UHFFFAOYSA-N 308.809 2.353 0 50 DEAA CC[C@@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1ncc(-c2ccccc2)[nH]1 1857527839 YLKZSAPYIRGAHL-RWMBFGLXSA-N 313.357 2.365 0 50 DEAA O=C1C[C@H]2N(Cc3csc4ccccc34)CC[C@]23OCCN13 1857712656 KVRYWHZZHOUXQJ-WBVHZDCISA-N 314.410 2.434 0 50 DEAA CCn1c(CN2CCC[C@](O)(C(=N)O)C2)nc2cc(F)ccc21 332279026 WEGYOZXFFPHKER-MRXNPFEDSA-N 320.368 2.057 0 50 DEAA Cc1cccc(CNC(=O)CN2CC3(CCC3)[C@@H]3COC[C@H]32)c1 459715274 LIWGCINIQVFGQE-IAGOWNOFSA-N 314.429 2.112 0 50 DEAA Cc1ccc(-c2nnc(CN3C(=O)CO[C@H]4C=CC=C[C@H]43)o2)cc1 670427755 DBOQINQGFZLLAZ-CABCVRRESA-N 323.352 2.267 0 50 DEAA CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 264183115 QBOBKRRKNFVYJM-ROUUACIJSA-N 315.461 2.204 0 50 DEAA C[C@@H]1CN(CCC(=O)O)CCN1c1nc2cccc(F)c2s1 910455140 INLPTNMHADHENH-SNVBAGLBSA-N 323.393 2.421 0 50 DEAA O=C(N[C@@H]1CCC[C@@H]1CCO)c1ncccc1Br 194045705 JTKXAFNEUNCDSE-MWLCHTKSSA-N 313.195 2.125 0 50 DEAA CCC1=NO[C@@H](CNC(=O)c2ccc(C(F)(F)F)c(O)n2)C1 2325786585 CCJUSEMYCXMTJW-MRVPVSSYSA-N 317.267 2.091 0 50 DEAA COC[C@]1(C(=O)N2CC(C[C@@H]3C[C@H]4CC[C@H]3C4)C2)CCCO1 2325794245 VRCAQMQOYFBKHG-MBGYTDRXSA-N 307.434 2.467 0 50 DEAA C[C@H]1CCCn2c(C(=O)N3CC(=O)Nc4ccccc4C3)cnc21 2325798677 OJFFWUVMSLRFOK-LBPRGKRZSA-N 324.384 2.375 0 50 DEAA c1cc(-c2cn(CCO[C@H]3CCOC3)nn2)c2ccncc2c1 899732929 NNSLIBDTMHXSTB-AWEZNQCLSA-N 310.357 2.299 0 50 DEAA COc1cccc2cc(C(=O)N[C@H](C)[C@H]3CCCO3)c(=O)oc12 1052047 NUNILQFJGOAPSC-ZWNOBZJWSA-N 317.341 2.099 0 50 DEAA C[C@@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3ccccn3)n21 2356158989 HGXOCAMCTOVFSU-CYBMUJFWSA-N 319.368 2.444 0 50 DEAA CN1CCC[C@@]2(CCCN2C(=O)CCOc2ccccc2)C1=O 2356167899 IACIHYXDZVCTQQ-GOSISDBHSA-N 316.401 2.069 0 50 DEAA CC(C)n1c(SCC(=O)NC2CC2)nnc1-c1ccco1 6699233 VGJKJRWFEYUOMP-UHFFFAOYSA-N 306.391 2.490 0 50 DEAA c1ccc(CCN2CCN(c3cc(NC4CC4)ncn3)CC2)cc1 413037301 RPWHPBJVMXTUAI-UHFFFAOYSA-N 323.444 2.416 0 50 DEAA COC(=O)[C@@H](CC(C)C)NC(=O)c1cnc2snc(C)c2c1 225499997 STIDBAQWRIZGSK-GFCCVEGCSA-N 321.402 2.317 0 50 DEAA O=C1CN(C(=O)NCC2(C3CC3)CCC2)[C@H]2CCCC[C@@H]2N1 133238926 UEKOKNIYQFEYBC-KBPBESRZSA-N 305.422 2.019 0 50 DEAA COCCOc1ccc(CNC(=O)CN2CCCCCC2)cc1 51092992 CJQBISAYNZLKRP-UHFFFAOYSA-N 320.433 2.204 0 50 DEAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1n[nH]c2c1CCCC2 170613677 OUDKAHUINJKWAO-CJNGLKHVSA-N 316.449 2.283 0 50 DEAA CCOc1ccccc1OCCN1CC[C@H](N(C)C(C)=O)C1 65397013 JYZZXINDCJVCMS-HNNXBMFYSA-N 306.406 2.017 0 50 DEAA CCc1ccc(NC(=O)N2CCC3(CC2)CNC(=O)C3)cc1 65383203 HKJJSQFLNJWYTI-UHFFFAOYSA-N 301.390 2.383 0 50 DEAA CC(=O)N1CCC(NCc2ccc(-n3ccnc3C)cc2)CC1 65397428 MLCKETVQHOIZQO-UHFFFAOYSA-N 312.417 2.281 0 50 DEAA CN1CCCN(C2CCN(CCc3ccccc3)CC2)CC1 22455783 ZMCHFDPGPGXQDX-UHFFFAOYSA-N 301.478 2.331 0 50 DEAA O=C(c1ccc2nc(S)oc2c1)N1CCC2(CC1)OCCO2 118767178 XVDPXPCEQBELCI-UHFFFAOYSA-N 320.370 2.096 0 50 DEAA O=C(N1CCc2c(nc[nH]c2=O)C1)C1(c2ccccc2)CCCC1 71749821 YMQAXHQVFYQVLJ-UHFFFAOYSA-N 323.396 2.167 0 50 DEAA O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cnsn1 119680561 RLNZEYXEQALPEQ-NSHDSACASA-N 322.459 2.242 0 50 DEAA OC[C@@H]1CCCN1C[C@@H](O)COc1ccc2ccccc2c1 229579767 HJUQFNZHSDORNE-DLBZAZTESA-N 301.386 2.036 0 50 DEAA COC(=O)[C@@H]1C[C@H](O)[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 229862572 JDLGCUAPLDHNLA-XIRDDKMYSA-N 321.392 2.318 0 50 DEAA Cc1cnc(CN2C[C@@]3(CCCN(C(C)C)C3)CCC2=O)cn1 77302452 SDXWSBJYXZBBPH-SFHVURJKSA-N 316.449 2.398 0 50 DEAA O[C@H]1C[C@H](c2cccc(F)c2)N(Cc2nc(C3CC3)no2)C1 253395754 GWUGAHNLGNIXEF-UONOGXRCSA-N 303.337 2.394 0 50 DEAA CC(C)(C)c1csc(CN2CC[C@@](C)(NCC(=O)O)C2)n1 328602523 BXVGDYTUNBZRBU-OAHLLOKOSA-N 311.451 2.079 0 50 DEAA Cn1cc(C(F)(F)F)nc1[C@H]1CCCN(C(=O)CC(=N)O)C1 330537036 SSEBRKGKSMDPIP-QMMMGPOBSA-N 318.299 2.070 0 50 DEAA Cn1ccnc1[C@H]1CCN(c2nc3ccccc3cc2CO)C1 374369415 YWFOIUKMZZLTKP-AWEZNQCLSA-N 308.385 2.455 0 50 DEAA O=C(O)[C@]1(CC2CC2)CCCN(Cc2nnc(C3CC3)o2)C1 219557678 QYAWIXNIVYHOTD-INIZCTEOSA-N 305.378 2.414 0 50 DEAA COC(=O)c1cc(CNc2ccc3c(c2)CCC(=O)N3C)c[nH]1 130367471 RDCJJDCUXXKRBB-UHFFFAOYSA-N 313.357 2.322 0 50 DEAA CN(C)[C@H]1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)C1 170874700 QTNXTLSMTBFTSF-HNNXBMFYSA-N 311.389 2.311 0 50 DEAA C[C@H](SCC(=O)N(C)C)C(=O)Nc1nc2ccccc2s1 451085853 RUJRRLYXEPBJGP-VIFPVBQESA-N 323.443 2.445 0 50 DEAA CC[C@@H](C)Oc1cc(C(=O)NCc2nc(C3CC3)n[nH]2)ccn1 452419595 FGFFPOQTZUNBAW-SNVBAGLBSA-N 315.377 2.184 0 50 DEAA CCC1(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CCC1 174923147 MGGIAFTUESJGFC-MRXNPFEDSA-N 302.418 2.336 0 50 DEAA O=C([C@@H]1CCCO1)N1CCN(c2nsc3ccccc23)CC1 222669013 ZTKSHOMZYDLODM-ZDUSSCGKSA-N 317.414 2.124 0 50 DEAA COC(=O)c1ccc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)nc1OC 241644179 POYJULRNPKVBTI-OASPWFOLSA-N 306.362 2.102 0 50 DEAA COc1ccc2c(c1)OC[C@@H](Nc1ccnc3c1cnn3C)C2 286471239 KUJWWVHISGTXDI-LBPRGKRZSA-N 310.357 2.393 0 50 DEAA COc1ccc2[nH]c(CNC(=O)[C@@H](C)Cn3cccn3)cc2c1 220039300 JRNBDXXWDDJVKS-LBPRGKRZSA-N 312.373 2.326 0 50 DEAA OCC1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20246721 OAOXQJDLFFGHPV-QMMMGPOBSA-N 309.675 2.303 0 50 DEAA Cc1cn(CCNC(=O)c2cc(C)nc3c(C)cccc23)nn1 82127161 CKRANXMCFURUKH-UHFFFAOYSA-N 309.373 2.182 0 50 DEAA CC[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1ccc(F)c(C)c1 287417904 FUOFVJGQHVXMPC-WCQYABFASA-N 315.366 2.008 0 50 DEAA CCn1ccnc1CN(C)[C@@H](C(=O)O)c1cccc(OC)c1 95376039 OBNMGHARVMHIJX-OAHLLOKOSA-N 303.362 2.169 0 50 DEAA Cc1c(Cl)cc(C(=O)N2CCC[C@H]2C(N)=O)cc1Cl 91915403 AYCGTYUNZILYHA-NSHDSACASA-N 301.173 2.392 0 50 DEAA Cc1cc(N2C[C@H](C3CC3)[C@@H](N(C)C)C2)nc(N2CCCC2)n1 91986237 SNWPXIVJZKCEFW-CVEARBPZSA-N 315.465 2.162 0 50 DEAA Cc1cc(C)nc(N2CCC(NCCCc3ncc[nH]3)CC2)n1 95520191 WKQCLSMKQRCYAV-UHFFFAOYSA-N 314.437 2.008 0 50 DEAA NC[C@@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1 178527420 OMHXKVSUFGXONM-NSHDSACASA-N 319.792 2.074 0 50 DEAA CC(C)CN1CCCC[C@H]1Cc1nc2c([nH]1)CCCNC2=O 95392211 ZDLCDBWTVOHKRC-ZDUSSCGKSA-N 304.438 2.139 0 50 DEAA CO[C@@H]1O[C@H](C)[C@H](OC(=O)c2ccccc2)[C@@H]2OC(C)(C)O[C@@H]21 252010596 RTLLRDPZZTULOI-XGJKELJWSA-N 322.357 2.123 0 50 DEAA COc1ccc([C@H](NC(=O)NC[C@@H]2CCCO2)C2CC2)cn1 624338930 HNMRGHNSRUKYHC-DZGCQCFKSA-N 305.378 2.020 0 50 DEAA CO[C@H](C)CS(=O)(=O)Nc1ccc(NC(=O)C(C)C)cc1 253398045 KCFPTIQMFCXYEE-LLVKDONJSA-N 314.407 2.058 0 50 DEAA CCCc1noc([C@H](C)NC[C@@H]2CCO[C@H]2c2cnn(C)c2)n1 299753969 BMGNPZLGKZAJCL-SLEUVZQESA-N 319.409 2.184 0 50 DEAA COC(=O)NCC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 162778744 OHUUBQFRWXLJCB-YOEHRIQHSA-N 302.374 2.270 0 50 DEAA CC(C)c1nnc([C@@H](C)NC(=O)Cc2ccc3c(c2)OCO3)o1 299768675 LTIGJPWYZNLEDH-SNVBAGLBSA-N 317.345 2.342 0 50 DEAA Cc1cc(=O)c2c(o1)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 828244757 ULCGWEMOSIQCIN-LLVKDONJSA-N 324.288 2.496 0 50 DEAA biogenic CC(C)n1c(CNC(=O)N2CC[C@H](CO)C2)nc2ccccc21 670471407 PHDLAWGWXXMFJT-ZDUSSCGKSA-N 316.405 2.141 0 50 DEAA CCN(CCn1cccn1)C1CCN(Cc2ccco2)CC1 952873474 XLWNLKZUZBRLHD-UHFFFAOYSA-N 302.422 2.463 0 50 DEAA Cc1nc(C)c(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)o1 952873499 XSKAFGLULILDSU-VIFPVBQESA-N 315.329 2.287 0 50 DEAA CCCc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3[C@H]2COC)cs1 1565511850 SDRVKTRUUVYNOE-LXTVHRRPSA-N 309.431 2.480 0 50 DEAA Cc1cccc([C@@H]2CCN(CC(=O)NCc3cccnc3)C2)c1 273047178 FVAXZAHQWXIVBH-GOSISDBHSA-N 309.413 2.496 0 50 DEAA C[C@@H]1C[C@H](CCNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCO1 273553826 VIYVTOBTGSKCMV-OMNBBPDLSA-N 318.417 2.149 0 50 DEAA C[C@H]1CCSCCN1C(=O)NCc1ccnc(N(C)C)c1 190983496 PTMWWZPSKSYXEL-LBPRGKRZSA-N 308.451 2.185 0 50 DEAA C[C@H]1C[C@@H](N[C@@H]2C=C[C@H](CO)C2)CN(C(=O)OC(C)(C)C)C1 585089231 VFZAXKVZAQTBPQ-BYNSBNAKSA-N 310.438 2.159 0 50 DEAA CN(CCc1ccccc1)CC(=O)N1CC[C@@H](O)CC(C)(C)C1 585132359 UVALFJZCGGTJAN-QGZVFWFLSA-N 318.461 2.170 0 50 DEAA C[C@H](CC(=O)NC[C@H]1CC(=O)N[C@@H](C)C1)Cc1cccc(F)c1 585127746 IGIMRSASVWXYCK-KCQAQPDRSA-N 320.408 2.425 0 50 DEAA COc1ccc([C@@H](C)NC(=O)Nc2nc(C)no2)c(OC)c1 1646909039 KWLRHWJURNVTPH-MRVPVSSYSA-N 306.322 2.278 0 50 DEAA Cc1nncn1CCN(Cc1ccccc1)C[C@@H]1CCCO1 1506420047 RUERGJXXPTZAMN-KRWDZBQOSA-N 300.406 2.268 0 50 DEAA CCN(CC)CC(=O)N1CCO[C@@H](Cc2ccccc2Cl)C1 12302219 WXOSNESQPUNWIX-HNNXBMFYSA-N 324.852 2.452 0 50 DEAA O=C(CCNS(=O)(=O)c1ccccc1)NC1CCCCCC1 12865767 GTLCROOSOQISOG-UHFFFAOYSA-N 324.446 2.194 0 50 DEAA O=C1C[C@H](NCc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 19782390 ZWGBPLNDHYFUOB-HNNXBMFYSA-N 316.307 2.387 0 50 DEAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 169365740 NTLXWSUYSXYVKK-WYUUTHIRSA-N 313.712 2.296 0 50 DEAA O=C([C@H]1CC[C@@H]2CCC[C@@H]21)N1CCCN(c2ncccn2)CC1 1857673752 WEELTQRYJHUGNH-JYJNAYRXSA-N 314.433 2.342 0 50 DEAA CC[C@@H]1C[C@H](n2ccnc2C(C)(C)CN2CCOCC2)CCN1 1857673767 XLZMFSONELPDBO-HZPDHXFCSA-N 320.481 2.196 0 50 DEAA COc1ccc(Cl)cc1CN(C)C[C@@H](O)C1CCNCC1 1857674584 OSBJIHBJUAJJFX-OAHLLOKOSA-N 312.841 2.141 0 50 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O=C(O)[C@H](CNCc1cccc2c1CCC2)C1CCOCC1 863744718 IQZFLOAWLKNLQG-QGZVFWFLSA-N 303.402 2.392 0 50 DEAA Cc1[nH]nc2ncnc(N3CCC[C@H](NCc4ccccc4)C3)c12 2325780429 DYWRBYINPYPGTN-HNNXBMFYSA-N 322.416 2.420 0 50 DEAA CO[C@H](CC(C)C)CS(=O)(=O)N[C@@H](C)C1(O)CCCCC1 2325782713 YKSQGZJWTDWZEC-UONOGXRCSA-N 321.483 2.051 0 50 DEAA COc1ccc2c(c1)CC[C@H]1[C@H]2OCCN1C/C=C/C(=O)O 2325807011 UIXRYHROZTVJKQ-RHINWDHMSA-N 303.358 2.024 0 50 DEAA CN[C@@H](Cc1ccccc1)C(=O)Nc1nc2ccccn2c1C 2325859367 XGKAJCKFBWWPBI-HNNXBMFYSA-N 308.385 2.412 0 50 DEAA CCOc1cc(N2CCCN(Cc3cscn3)CC2)ncn1 123597637 PYSDBDODEJTGTJ-UHFFFAOYSA-N 319.434 2.044 0 50 DEAA COc1cc2c(cc1CN1CCC[C@]13CCCNC3=O)CCC2 2356142674 BYXFCDYCRJFCLA-IBGZPJMESA-N 314.429 2.429 0 50 DEAA COc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 2879761 XMCFLAFVZCDZRA-UHFFFAOYSA-N 310.309 2.173 0 50 DEAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1ccc2c(c1)CCCO2 2356148990 CVCAVYIMGGWXRL-YEORSEQZSA-N 303.358 2.385 0 50 DEAA CSc1ccc(CNCCCSc2nnnn2C)cc1 4993837 NXFCOGOKJGFPOX-UHFFFAOYSA-N 309.464 2.204 0 50 DEAA COc1cccc(CCN2CCC(c3nncn3C)CC2)c1 20118521 PXSLKXDPUZADHI-UHFFFAOYSA-N 300.406 2.246 0 50 DEAA CC[C@H](Cn1ccnc1)NC(=O)c1cc2ccccc2oc1=O 67513491 UNRDWSXWTTXTOU-CYBMUJFWSA-N 311.341 2.198 0 50 DEAA CN(C)c1ncc(CN2Cc3ccc(O)cc3C3(CC3)C2)n1C 425376136 DTZUWWFQEFBHIQ-UHFFFAOYSA-N 312.417 2.239 0 50 DEAA O=C(c1ncc(F)cc1F)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348260238 BWSUONCPXSDFOT-TZMCWYRMSA-N 322.286 2.447 0 50 DEAA CCNc1nc(C)c(C(=O)N(C)Cc2snnc2C)s1 67675948 ATVIVJNWZVHGSQ-UHFFFAOYSA-N 311.436 2.315 0 50 DEAA COC(=O)[C@@H]1C[C@@H](N(C)C)CN1C(=O)c1cc(C(C)C)oc1C 65533623 DXEAOZPMTYOJNZ-OCCSQVGLSA-N 322.405 2.029 0 50 DEAA Cc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1C 3581361 DHFAUQVRJYXJPO-UHFFFAOYSA-N 304.371 2.203 0 50 DEAA C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)NCc1cnc(C2CC2)o1 333623222 GQTNDWNRVWSCOU-OCCSQVGLSA-N 318.421 2.320 0 50 DEAA COC[C@H]1CCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 72423830 MRBSMVYKGHZLAR-HNNXBMFYSA-N 305.418 2.499 0 50 DEAA Cc1nc(CC(=O)N2C[C@H](C(=O)O)c3ccccc32)cs1 131946806 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2.476 0 50 DEAA Cc1cnn([C@@H]2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)C2)c1 290857163 DNNOCVXAXCHOCK-BXUZGUMPSA-N 301.394 2.109 0 50 DEAA CCOC[C@H]1CCCN1C(=O)NCCOc1ccc(F)cc1 426424408 VIXSSYGUGFGMBT-CQSZACIVSA-N 310.369 2.415 0 50 DEAA Cc1ccc2nc(C(=O)N3CC[C@@H](O)CC(C)(C)C3)c(F)n2c1 426389994 WWBMNHGUWHHWFF-GFCCVEGCSA-N 319.380 2.405 0 50 DEAA CC1(C)CN(C(=O)Cc2ccc(F)c(F)c2F)C[C@]1(C)O 91943348 WPHRHAUCOYNCDU-HNNXBMFYSA-N 301.308 2.266 0 50 DEAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCSCC1 97136852 LIMVVIGBXIXWGS-UHFFFAOYSA-N 300.387 2.036 0 50 DEAA Cc1c(NC(=O)Cc2cncs2)cnn1C1CCOCC1 622626272 OQZKEZICINHAGH-UHFFFAOYSA-N 306.391 2.181 0 50 DEAA CNc1nc(C(=O)N2CCC[C@@](CC3CC3)(C(=O)O)C2)cs1 92046538 MWFBIWJMTMFXCW-HNNXBMFYSA-N 323.418 2.292 0 50 DEAA CCCNc1ncc(CN2C[C@@H](C(=O)O)[C@H](C(C)C)C2)cn1 91770742 NKBMUAFZXNCYBV-UONOGXRCSA-N 306.410 2.087 0 50 DEAA O=C1CC[C@]2(CCOC2)CN1Cc1cc(-c2ccco2)on1 91676941 CXUYBQPGQFGRFJ-INIZCTEOSA-N 302.330 2.464 0 50 DEAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnoc1C)C2 91536581 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0 50 DEAA Cn1cc([C@H](NCCC2OCCO2)c2ccc(F)cc2)cn1 185415736 QAOMKGSINBXQQG-MRXNPFEDSA-N 305.353 2.001 0 50 DEAA CN(C)S(=O)(=O)c1ccccc1-c1cc(F)cc(C(=O)O)c1 65355252 LWEJEDLHFHRGPV-UHFFFAOYSA-N 323.345 2.441 0 50 DEAA in-vitro CC(C)C[C@H](NC(=O)CCCN1CCOCC1)c1cccnc1 299797213 MXCFYWUYDLWBLM-KRWDZBQOSA-N 319.449 2.397 0 50 DEAA CCCCCc1nc([C@H](C)n2nc(C)cc2C)n(CCO)n1 828776672 HGWSFOYLUADNOK-AWEZNQCLSA-N 305.426 2.426 0 50 DEAA C[C@@H](c1cccc(CN(C)C2CCS(=O)(=O)CC2)c1)N(C)C 823648982 LPTTVKROWQQMIZ-AWEZNQCLSA-N 324.490 2.318 0 50 DEAA CN1CCC(Oc2ccc(NC(=O)[C@@H]3CCOC3)cc2)CC1 823764740 CBDGJYIVJKGCMF-CYBMUJFWSA-N 304.390 2.135 0 50 DEAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC[C@H](c2nc[nH]n2)C1 584901798 HBAHOPZRGZYIIQ-AWEZNQCLSA-N 322.372 2.215 0 50 DEAA Cc1c(CN[C@H]2CCC(=O)N(Cc3ccccc3)C2)cnn1C 584888505 AIMNPDUHPZUSMM-KRWDZBQOSA-N 312.417 2.009 0 50 DEAA Cc1ccc(-c2n[nH]c(CCc3ccc4c(c3)OCO4)n2)nn1 670454418 FKWVYRKWOUQTJY-UHFFFAOYSA-N 309.329 2.084 0 50 DEAA CN(Cc1cc(Cl)ccc1OCC(=O)O)C[C@H]1CCOC1 670440270 WKBPJPKOPGQKRF-LLVKDONJSA-N 313.781 2.272 0 50 DEAA Cc1ccncc1C(=O)N1CCCC[C@@H]1c1n[nH]cc1C(=O)O 952889635 CZXWDCLDKYXYNK-CYBMUJFWSA-N 314.345 2.179 0 50 DEAA O=C(NCc1cccnc1)c1nnn(-c2ccccc2)c1C1CC1 1875258111 DTODRMIZOHDPEQ-UHFFFAOYSA-N 319.368 2.470 0 50 DEAA Cc1cc(C(=O)N=[S@@]2(=O)CCC[C@]3(CCCN3)C2)oc1C 1875393937 VDBRWPRMZKJTFD-QVKFZJNVSA-N 310.419 2.421 0 50 DEAA O[C@]1(Cn2cc(-c3ccc(Cl)cc3F)nn2)CCCOC1 881415833 ZMCATVKELMHSHX-AWEZNQCLSA-N 311.744 2.279 0 50 DEAA CCc1ncnc(NC[C@H]2CCCN(C(=O)C3CC3)C2)c1F 952989111 HLQAPAOGENDGHE-LLVKDONJSA-N 306.385 2.239 0 50 DEAA CCN1C(=O)C[C@@H](CN=c2cc[nH]c(C)c2)[C@@H]1c1cccnc1 886082042 XZUUSILBNFMSGB-YJBOKZPZSA-N 310.401 2.229 0 50 DEAA O=C(N[C@H]1Cc2ccccc2[C@@H]1O)N[C@@H](c1cccnc1)C1CC1 893886026 PPEDOABFMPNSFY-KSZLIROESA-N 323.396 2.490 0 50 DEAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2nc(C)c(C)o2)C1 1775957512 YOFUIVXVAUEBDM-GOEBONIOSA-N 317.389 2.355 0 50 DEAA CCN(C)C[C@]12COC[C@H]1CN(C(=O)c1cccc(Cl)c1)C2 1776007227 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Cc1cc(C(=O)OCc2cn(C)nc2-c2ccccc2)n(C)n1 225546811 KUVBJTVFUIXSSC-UHFFFAOYSA-N 310.357 2.486 0 50 DEAA CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2ccnc(N)c2)C1 225616941 NVBRTUQKXKUMJJ-TZMCWYRMSA-N 306.410 2.010 0 50 DEAA COC(=O)[C@@H]1CCn2c(nnc2-c2cn(C)c3ccccc23)C1 601044193 ITWUXUYEEVXEBC-LLVKDONJSA-N 310.357 2.172 0 50 DEAA C[C@@H](CC(=O)Nc1cccc2[nH]cnc12)N1CCCCC1=O 189405425 BVHXTOOYKFHBFK-NSHDSACASA-N 300.362 2.293 0 50 DEAA CN(CCOC(C)(C)C)C(=O)Cc1nnc(O)c2ccccc12 768351349 IWLUHPBTKICSGE-UHFFFAOYSA-N 317.389 2.151 0 50 DEAA CCCNC(=O)[C@@H]1CN(CC2=CCCOC2)c2ccccc2O1 194727373 JVLHHHMUCFSPOM-KRWDZBQOSA-N 316.401 2.127 0 50 DEAA Cc1ccc2nc(CNC(=O)[C@H](C(=O)O)C(C)(C)C)[nH]c2c1 663040653 DMKJVOQALIGKLX-CYBMUJFWSA-N 303.362 2.234 0 50 DEAA COC1(c2noc(-c3ccccc3-n3cnnn3)n2)CCCC1 585133669 QCDJKYRCYXVKIY-UHFFFAOYSA-N 312.333 2.128 0 50 DEAA Cc1nc(O)c(C(=O)N(Cc2cnn(C)c2)C(C)C)c(C)c1C 1506412490 ZDDZGXZGXFBABP-UHFFFAOYSA-N 316.405 2.497 0 50 DEAA O=C(O)[C@H]1CCN(C(=O)Nc2cccnc2-c2ccco2)C1 1614995300 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314.341 2.210 0 50 DEAA CN(CCn1cccn1)Cc1cc(Cl)ccc1OCC(=O)O 215121816 VQWAYUQMWMCZBZ-UHFFFAOYSA-N 323.780 2.132 0 50 DEAA CN(C)Cc1nnc([C@H]2CCCN(CC3CCCC3)C2)n1C 72418151 QVASODVUGIMGEG-HNNXBMFYSA-N 305.470 2.246 0 50 DEAA O=C(NCc1cccc(-c2cccnc2)c1)c1cccc[n+]1[O-] 363820567 MPJVUHDGNSXSKU-UHFFFAOYSA-N 305.337 2.312 0 50 DEAA C[C@@H](C(=O)NCc1cccnc1N(C)C)n1cnc2ccccc21 32690297 DOTLVYHSTGXOKR-ZDUSSCGKSA-N 323.400 2.375 0 50 DEAA Cc1ccc(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)o1 31420882 JVFBWUTZTOHOGP-ZDUSSCGKSA-N 304.390 2.038 0 50 DEAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 156158218 UWCXYNFKDILNNZ-TZMCWYRMSA-N 310.463 2.484 0 50 DEAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 77387822 YQNZPUUWGNHESI-CYBMUJFWSA-N 317.414 2.146 0 50 DEAA CCc1nc(CN2CCC3(CC2)C[C@@H](C(=O)O)N(C)C3)cs1 72161832 XCFCYJJIBFGJPD-ZDUSSCGKSA-N 323.462 2.076 0 50 DEAA O=C(CCc1ccccc1OC(F)(F)F)NC1(C(=O)O)CC1 238080921 OLGCTJBXEVWJQM-UHFFFAOYSA-N 317.263 2.251 0 50 DEAA O=C(O)CN(C(=O)C/C=C/c1cccc(F)c1)C1CCOCC1 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301.415 2.504 0 50 DEAA CCC(CC)(C(=O)O)C(=O)N1C[C@@H](CN)[C@H](c2ccccc2)C1 585139244 RJBWNWPHGNBODK-CABCVRRESA-N 318.417 2.078 0 50 DEAA CC[C@@](O)(CCCO)CNC(=O)c1cc(F)cc(Cl)c1 584887678 XVUATQISSAITKN-CQSZACIVSA-N 303.761 2.123 0 50 DEAA C[C@]1(C(=O)O)CCN(C(=O)c2cnc(-c3ccco3)s2)C1 269046335 SSWIRVKLTKVNST-AWEZNQCLSA-N 306.343 2.340 0 50 DEAA CC1(C)OC(=O)c2c(C(=O)NCCN3CCCCC3)cccc21 408518084 SYXQWQWKESZJJL-UHFFFAOYSA-N 316.401 2.308 0 50 DEAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H](C)c2cccnc2)cn1 275346173 LZPHFIXXJOICAN-UHOFOFEASA-N 314.389 2.048 0 50 DEAA CCOc1ccccc1OCCCC(=O)N1CCN[C@H](C)C1 188392876 HMCJZWJJXRUBOD-CQSZACIVSA-N 306.406 2.065 0 50 DEAA C[C@H]1CN(C)c2ccccc2CN1C(=O)CCc1ccncn1 191278699 NYIXRDPVZKEVPZ-AWEZNQCLSA-N 310.401 2.276 0 50 DEAA CC(C)n1cc(CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cn1 583618800 NRHGXMNLSYMAAH-GVDBMIGSSA-N 307.438 2.216 0 50 DEAA O=C1C[C@H](C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CCN1 584148860 PEPREIRGJDBHAK-ARFHVFGLSA-N 300.402 2.355 0 50 DEAA CN(C(=O)Cc1nc2ncccn2n1)C(C)(C)c1ccccc1 585081570 PTWNQTQEUVIYRU-UHFFFAOYSA-N 309.373 2.061 0 50 DEAA Cc1cccc(NC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)c1 585118832 DKEPWLSUAICHSM-OAHLLOKOSA-N 322.430 2.426 0 50 DEAA COC(=O)c1ccc(-c2noc([C@@H]3CCCC(=O)N3C)n2)cc1 1616037272 FTKOLNKVOAFGIZ-LBPRGKRZSA-N 315.329 2.207 0 50 DEAA O=C(C1CCC1)N1C[C@H](Cc2ccc3ccccc3n2)[C@@H](O)C1 1616070824 GPYAMYJGUFFPNG-YJBOKZPZSA-N 310.397 2.397 0 50 DEAA COc1cc(C)sc1C(=O)N1C[C@H](C(=O)O)[C@@H](C(C)C)C1 1616104214 RRDILCPCBXUCDN-MNOVXSKESA-N 311.403 2.494 0 50 DEAA COC(=O)[C@H]1CCCCN1C(=O)c1cccc2ncsc12 1866345042 KHRKPKRFWPTMRS-GFCCVEGCSA-N 304.371 2.464 0 50 DEAA O=S(=O)(NC[C@@H]1CCCO1)c1cc(Cl)ccc1Cl 210135 PAPBCWYWTKOHFI-VIFPVBQESA-N 310.202 2.451 0 50 DEAA CN1CCC(n2nccc2NC(=O)Cc2cccs2)CC1 1506424352 ZYUWVBIATSETJY-UHFFFAOYSA-N 304.419 2.393 0 50 DEAA CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)O 114217 NUBVVMYRSWGRBI-SNVBAGLBSA-N 300.152 2.288 0 50 DEAA in-vitro CC(C)(C)c1ncc2c(n1)CN(C(=O)c1onc3ncccc13)C2 1775979669 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304.297 2.122 0 50 DEAA Cc1cc(Cl)nc(C(=O)N[C@@H]2CCC[C@H]([S@](C)=O)C2)c1 899254251 IQURVTMOMXCQFZ-NLQQUQSOSA-N 314.838 2.463 0 50 DEAA O=C(NC[C@@H]1CCC[C@H]1O)[C@@H]1CCCN(Cc2ccccc2)C1 266356161 YGBNJXGBCWYAQJ-RCCFBDPRSA-N 316.445 2.176 0 50 DEAA Cn1ncc(C(=O)N[C@@H](c2ncccn2)C2CC2)c1C(F)F 906234347 SGAHMBNPZRALNI-SNVBAGLBSA-N 307.304 2.029 0 50 DEAA CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1F 4380919 LYWQUJXLTLLZKK-AWEZNQCLSA-N 322.336 2.033 0 50 DEAA COC[C@@]1(O)CCOC[C@H]1NC/C=C/c1cc(C)c(C)cc1C 2325774221 RCWHWGUHRYEYOY-YSKLNCTFSA-N 319.445 2.381 0 50 DEAA Cc1ccc2cc(NC(=O)c3[nH]nnc3[C@H]3CCCN3)ccc2n1 2325786552 WYDZOUFHGJXAEV-CQSZACIVSA-N 322.372 2.338 0 50 DEAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3C[C@@H]4CNC[C@H]43)cc2)c1C 2325795360 BFEUPQNYOGYVGJ-KBRIMQKVSA-N 310.401 2.283 0 50 DEAA CC(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2)cn1C 2325796727 HERGQLKOJJAGOI-HNNXBMFYSA-N 312.373 2.037 0 50 DEAA CSC1(CN2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)CCC1 877815920 XDMWHOALYXHURB-BETUJISGSA-N 303.493 2.029 0 50 DEAA CC[C@@H](O)c1ccc(OC[C@H](O)CN2CCCCC2)c(OC)c1 238692 WGYOXLHUEHBVOF-HZPDHXFCSA-N 323.433 2.364 0 50 DEAA biogenic CC(C)(CO)NC[C@H](O)COc1ccc(-c2ccccc2)cc1 2827182 GDEYSGYAHFMAMR-KRWDZBQOSA-N 315.413 2.454 0 50 DEAA CCCCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 2838210 WTNCUIJIBBYSTQ-OAHLLOKOSA-N 320.389 2.099 0 50 DEAA CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)COC 6702785 IVYVPNCHMLSYQX-VIFPVBQESA-N 307.799 2.052 0 50 DEAA O=C(N[C@H](CO)c1ccccc1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 222194081 QVSHEMVCMPZLSH-ZJPYXAASSA-N 308.381 2.358 0 50 DEAA CCOc1cc(C)ccc1S(=O)(=O)n1nnc2ccccc21 8714813 YVHZUHBGMXTLGV-UHFFFAOYSA-N 317.370 2.375 0 50 DEAA CC(=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3C)C2)s1 9198172 JANZSFHAOCOAIJ-NSHDSACASA-N 316.386 2.325 0 50 DEAA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2ccc3c(c2)OCO3)C1 101392643 VZFXWAWGHQSKOJ-GJZGRUSLSA-N 324.380 2.196 0 50 DEAA CC1=C(C)[C@@]2(C)[C@H]1[C@H]1C=C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 101048885 PZLAHNFSDMTYRT-YKTARERQSA-N 321.380 2.439 0 50 DEAA CCCc1cnc(C)nc1NCc1cccnc1-n1cncn1 65435418 BSRWAIHBZCIMGR-UHFFFAOYSA-N 309.377 2.325 0 50 DEAA Fc1ccccc1-c1nnc(S)n1CCCN1CCOCC1 20059544 UBFLWMDNRBZPSA-UHFFFAOYSA-N 322.409 2.095 0 50 DEAA CC(=O)NCC[C@@H]1CN(C/C(C)=C/c2ccccc2)CCO1 67489674 MKUJZWJYBBZJIC-NKAIQICCSA-N 302.418 2.317 0 50 DEAA Cc1ccc(CC2(NC(=O)[C@@H](C)N3CCCC3=O)CC2)cc1 67723950 VEWWQXVCKKCVRN-CQSZACIVSA-N 300.402 2.197 0 50 DEAA O=C(c1c[nH]nc1C1CC1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348240944 IPULEOTWKQXNNP-UKRRQHHQSA-N 315.348 2.374 0 50 DEAA Cn1cc(C(=O)O)c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 170620064 FQZANOCLESEKCT-JTQLQIEISA-N 309.366 2.233 0 50 DEAA CSCC[C@H](NC(C)=O)c1nc(Cc2ccccc2)n[nH]1 65422408 DDQXTRXTEUPNGB-ZDUSSCGKSA-N 304.419 2.326 0 50 DEAA CN(C)c1nccnc1Oc1ccccc1CN1CCOCC1 67642372 WPOZKYDKINJRNI-UHFFFAOYSA-N 314.389 2.167 0 50 DEAA CC(C)[C@H](NC(=O)Nc1cc2n(n1)CCCC2)C(F)(F)F 351558625 KMPBNWDDNRDMNI-NSHDSACASA-N 304.316 2.928 0 50 DEAA Cc1nc[nH]c1C(=O)N1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 72168507 QNBGBCIDKSIGNT-MAUKXSAKSA-N 313.401 2.174 0 50 DEAA CN(Cc1ccc(C(=O)O)cc1)C(=O)CCc1cscn1 170672266 PALYSZAZMATARF-UHFFFAOYSA-N 304.371 2.433 0 50 DEAA Cc1cc(=O)oc2cc(NC(=S)N3CCOCC3)ccc12 6399676 VYHFWUQMBCHFPH-UHFFFAOYSA-N 304.371 2.130 0 50 DEAA O[C@H]1CN(c2cc(Cl)c3cc[nH]c3n2)C[C@@H]1N1CCCCC1 72153488 UVGBDMBLQSFHJL-KBPBESRZSA-N 320.824 2.252 0 50 DEAA CCCn1c(NC(=O)[C@H]2CCCC(=O)N2)nc2ccccc21 333451792 LXUJGTBHJQWXSN-GFCCVEGCSA-N 300.362 2.054 0 50 DEAA O=C(c1c(F)ccc(O)c1F)N1CCC(c2ncc[nH]2)CC1 253418453 QNIHEQYONLINSW-UHFFFAOYSA-N 307.300 2.413 0 50 DEAA CN1CC[C@@H](N(C)Cc2noc(-c3cccc(Cl)c3)n2)C1=O 361947119 YWMJNXRWLIJXHQ-GFCCVEGCSA-N 320.780 2.053 0 50 DEAA CCOC(=O)c1nccn1Cc1cnn(-c2ccc(F)cc2)c1 71721298 DTPULNNFWXCHMW-UHFFFAOYSA-N 314.320 2.433 0 50 DEAA C[C@H]1CN(C)c2ccccc2CN1CC1CCS(=O)(=O)CC1 362406270 AUPQNHCKEOPECL-AWEZNQCLSA-N 322.474 2.152 0 50 DEAA CCCn1cnnc1[C@H](C)NC(=O)CCc1ccc(O)cc1 219918322 MSFDNWONBMABIP-LBPRGKRZSA-N 302.378 2.204 0 50 DEAA CCn1cccc(NC(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1=O 333703921 DSYPNMCVIIZVRC-PBHICJAKSA-N 317.389 2.044 0 50 DEAA O=C(c1conc1C1CC1)N1CCC[C@](O)(C(F)(F)F)CC1 367347882 NAEPUHKWFJOMSR-CYBMUJFWSA-N 318.295 2.472 0 50 DEAA O=C(NCCNC1CCCCCC1)[C@@H]1C[C@H]2CCCC[C@H]2N1 262411025 DGZMMFMPEIZOPW-OIISXLGYSA-N 307.482 2.336 0 50 DEAA CN(C)c1nc(CNC(=O)c2cnc3ccccc3n2)cs1 219991579 FKDREWCCPQPPAX-UHFFFAOYSA-N 313.386 2.082 0 50 DEAA O=C([C@@H]1CCCN1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 261779741 TVNAVLXHANRWLI-HOTGVXAUSA-N 322.836 2.364 0 50 DEAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)OC[C@@H]1CCCO1 157206230 QBPQFKZYCYIIBU-ILXRZTDVSA-N 321.421 2.274 0 50 DEAA CN(C)CCN(C)C(=O)NCCc1ccc(C(F)(F)F)cc1 83058586 CUOTVJFKCRUEGT-UHFFFAOYSA-N 317.355 2.451 0 50 DEAA Nn1c(SCCc2cn[nH]c2)nnc1-c1cccc(Cl)c1 239654462 BNSMZSOFRJXINE-UHFFFAOYSA-N 320.809 2.370 0 50 DEAA C[C@@H](CO[C@H]1CCOC1)NC(=O)c1n[nH]c2ccc(Cl)cc12 284288145 NOZNOJWPUJFYMU-ONGXEEELSA-N 323.780 2.140 0 50 DEAA CCCn1ccnc1CNC(=O)c1c(O)nc(C)c(C)c1C 426514651 MIEAFHBHBNMCJA-UHFFFAOYSA-N 302.378 2.249 0 50 DEAA Cn1nc([C@H]2CCCN2Cc2nc3ccccc3s2)nc1N 284260458 MBMVZYIGXAKFSA-LLVKDONJSA-N 314.418 2.344 0 50 DEAA CN(C(=O)CC[C@@H]1CCCCO1)[C@@H](Cc1ccccc1)C(=O)O 263499639 YSAOFSBSRGKKGW-HOTGVXAUSA-N 319.401 2.490 0 50 DEAA Cc1nc2cc(CNC(=O)C[C@@H]3CCCOC3)ccc2n1C 426397441 OWVOXFVAKZWOIN-AWEZNQCLSA-N 301.390 2.315 0 50 DEAA Cc1nc(N(C)Cc2n[nH]c3c2CCCC3)c2nc(C)oc2n1 142616274 XHOSYWZLEOZYHW-UHFFFAOYSA-N 312.377 2.473 0 50 DEAA Cc1cnc(N)nc1NC[C@@H]1CCN(c2ccccc2F)C1 91678410 CQKDBAXILRFXOG-LBPRGKRZSA-N 301.369 2.445 0 50 DEAA CCN1CCC[C@@H]1CNC(=O)Nc1ccc(C(=O)OC)cc1C 96154031 ZGDZHTSMRWDAPI-CQSZACIVSA-N 319.405 2.387 0 50 DEAA CSc1ncc(CNC(=O)c2cn3cc(C)ccc3n2)n1C 92078385 QNONUCUTRRQCST-UHFFFAOYSA-N 315.402 2.028 0 50 DEAA NC(=O)c1cc2c(nc1C[C@H]1COc3ccccc3C1)CCC2 91914972 NPOSNSVZEQSGGT-LBPRGKRZSA-N 308.381 2.463 0 50 DEAA COc1cc2c(cc1F)CC[C@@H]2NC(=O)N1CC[C@@H](C)[C@H]1CO 338774844 URALNBXOZNQSBE-WKPIXPDZSA-N 322.380 2.234 0 50 DEAA CCc1nnc(CNC(=O)[C@H]2CCOc3ccccc3C2)s1 95524219 FXNRSQOBODZTLR-LBPRGKRZSA-N 317.414 2.358 0 50 DEAA Cc1c(Cl)cncc1NC(=O)N1CCO[C@]2(CCOC2)C1 296797904 CLZHIJADGUNOAZ-CQSZACIVSA-N 311.769 2.067 0 50 DEAA Cc1onc(-c2ccccn2)c1C(=O)N[C@H]1CCCOCC1 180186065 HLOGMJNKPYYDRD-LBPRGKRZSA-N 301.346 2.344 0 50 DEAA CN(C(=O)Cc1ccn(C)n1)[C@@H]1CCCN(c2ccccc2)C1 181462319 RAQGEVXOGWGSQK-QGZVFWFLSA-N 312.417 2.090 0 50 DEAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CC[C@@H](C(=O)O)C2)cc1 299744391 SFGXOBCDWAFSGD-OAGGEKHMSA-N 317.385 2.396 0 50 DEAA CCn1ncnc1[C@@H](C)NC(=O)c1cccc2ncsc12 1940198330 FZFNGDFUOSMMGO-SECBINFHSA-N 301.375 2.399 0 50 DEAA CN1C(=O)C[C@](CC(=O)O)(c2ccc(-c3ccccc3)cc2)C1=O 299776944 GCOODMPGCVVGPY-IBGZPJMESA-N 323.348 2.455 0 50 DEAA Cc1c(NC(=O)N[C@@H](C)c2nncn2C2CCCC2)cnn1C 299768270 SFRZGSMYVGXCBE-JTQLQIEISA-N 317.397 2.318 0 50 DEAA Cc1ncn(C)c1C(=O)N(C)Cc1ccccc1CN(C)C 584894815 QSTNKLXOZJNHFW-UHFFFAOYSA-N 300.406 2.062 0 50 DEAA CC1=C[C@H](C)CN(C(=O)c2cnc(C3CCN(C)CC3)[nH]2)C1 685941587 FMHZWFCLSBJSOW-LBPRGKRZSA-N 302.422 2.257 0 50 DEAA COCC(=O)Nc1ccc(C)c(NC(=O)c2oc(C)nc2C)c1 952971563 SPPGGWQRUQQTBG-UHFFFAOYSA-N 317.345 2.437 0 50 DEAA CNC(=O)CC1CCN(c2ncnc3c(F)cccc23)CC1 302887979 MILPNYNTAFKHBL-UHFFFAOYSA-N 302.353 2.121 0 50 DEAA CCN(CC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)C1CC1 271502053 ZARBIBRRZFVVPH-BBRMVZONSA-N 324.371 2.083 0 50 DEAA COc1ccccc1[C@H](C)CC(=O)N1CC[C@@H](C(=O)N(C)C)C1 408521466 VIMKLHKYPYJLRD-ZIAGYGMSSA-N 318.417 2.126 0 50 DEAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cncc(-c2nncn2C)c1 277673291 PDANCPRQSKMHAS-KBPBESRZSA-N 315.377 2.021 0 50 DEAA CC(C)c1ccc(O)c(C(=O)N2CCC[C@@H](OCCO)C2)c1 170591451 WCPJAIQDZIJYLG-CQSZACIVSA-N 307.390 2.129 0 50 DEAA O[C@H](COc1cc(Cl)cc(Cl)c1)CN1CCC[C@@H](O)C1 634636349 AWUTXEQRYUHONQ-OLZOCXBDSA-N 320.216 2.190 0 50 DEAA Cn1ncc(C2CC2)c1CNC(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21 1614614894 OFQVYISGUJUCHB-SUYBPPKGSA-N 316.449 2.082 0 50 DEAA COCC1(C(=O)Nc2ccnc(O[C@@H]3CCOC3)c2)CCCC1 1615049507 VQTIYWJDJAILOK-CQSZACIVSA-N 320.389 2.395 0 50 DEAA COc1c(Cl)cc(O)c(Cl)c1C(=O)N[C@H](CO)C(C)C 1615605031 ITSPIKNJXIMPRU-MRVPVSSYSA-N 322.188 2.454 0 50 DEAA CCCC[C@H]1CN(c2cc3nncn3c(N)n2)C[C@@H](C(C)C)O1 1615963369 GENJWNATHOIPBM-STQMWFEESA-N 318.425 2.127 0 50 DEAA Cc1nc(CN(CCOc2ccccc2)C[C@H]2CCCO2)n[nH]1 1529099952 JGRUDXGQNCPTLN-MRXNPFEDSA-N 316.405 2.173 0 50 DEAA CN(C)C(=O)c1ccc(N(C)Cc2nc3ccccc3[nH]2)nc1 1704355365 RYHDNPFNOFKPGJ-UHFFFAOYSA-N 309.373 2.296 0 50 DEAA Cc1ccccc1-n1cc(CN(C)CC[C@H]2COCCO2)cn1 1775978881 QHQPSKVSYZIPEO-KRWDZBQOSA-N 315.417 2.418 0 50 DEAA CC(=O)NC[C@@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1 11784122 MLGQYKBKBZKYOR-KRWDZBQOSA-N 320.408 2.475 0 50 DEAA CCNCC[C@H]1CCC(=O)N1CCc1ccc(OC)c(OC)c1 12212084 KVCMLXHWSRRRJD-OAHLLOKOSA-N 320.433 2.237 0 50 DEAA O=C(c1coc(COc2ccc3c(c2)OCO3)n1)N1CCCC1 12453963 XRUOXTJMXACCNV-UHFFFAOYSA-N 316.313 2.218 0 50 DEAA O=C(c1ccc(=O)[nH]c1)N1CCO[C@@H](CC2CCCCC2)C1 15074381 YVMNJHJNSOIGHE-HNNXBMFYSA-N 304.390 2.186 0 50 DEAA CN(C)C(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 18118261 XVTRJTYMUMHXRW-UHFFFAOYSA-N 323.443 2.044 0 50 DEAA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCOCC1)O2 165939961 MCJPTWSIETYCSU-SFHVURJKSA-N 319.401 2.260 0 50 DEAA COCCOC1CCN(C(=O)c2ccc(F)c(OC)c2)CC1 155228971 UCFYWVDBOZZWQU-UHFFFAOYSA-N 311.353 2.102 0 50 DEAA O=C(O)[C@]12COCC[C@H]1CN(c1ncccc1C(F)(F)F)C2 1857669574 AVJALDOGUPOISG-TVQRCGJNSA-N 316.279 2.028 0 50 DEAA Cc1ccc2c(C(=O)N3C[C@@H](O)C[C@]3(C)CO)csc2c1 912658124 PEYQFLFICUIVOD-MEDUHNTESA-N 305.399 2.168 0 50 DEAA Cc1nc2ccc(NC(=O)[C@H](NC(N)=O)C(C)(C)C)cc2o1 225719058 OCLDZAQMTVUBEY-LBPRGKRZSA-N 304.350 2.158 0 50 DEAA CCN1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)[C@@H](C)C1 236905392 KWQDCMHAIUAIRC-UAGQMJEPSA-N 303.450 2.265 0 50 DEAA COc1cc(F)cc(CN2CCC(Nc3cccnn3)CC2)c1 449031641 XBRCKFSEKPVKJN-UHFFFAOYSA-N 316.380 2.701 0 50 DEAA O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)[C@H]1CCCNC1 246564805 UPIKAFQVVBICGM-GXTWGEPZSA-N 307.825 2.035 0 50 DEAA COc1cnc(NC(=O)N[C@@H](c2cnn(C)c2)C(C)C)s1 931284613 WDAAZAHMJJQABG-LLVKDONJSA-N 309.395 2.404 0 50 DEAA CN(Cc1cnccn1)C(=O)Cc1cccc(C(F)(F)F)n1 933108403 UZZTUWVKSJNTGE-UHFFFAOYSA-N 310.279 2.092 0 50 DEAA CC[C@H](CO)Nc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ncn1 871101195 JHXVSTWYGZIKGF-KOZAUXTDSA-N 318.421 2.029 0 50 DEAA COc1cc(C(=O)NS(=O)(=O)C(C)(C)C)cc2cccnc12 1875317332 UXGDCCIBLFFXEK-UHFFFAOYSA-N 322.386 2.102 0 50 DEAA CC(=O)N1C[C@H](NC(=O)c2occc2C)CC[C@@H]1C(F)(F)F 886031591 BQCZTPLWVOUUFR-GHMZBOCLSA-N 318.295 2.260 0 50 DEAA Brc1nccnc1N1CC[C@@H](Oc2ccccn2)C1 1775996731 GHLTZYZGMJNLQT-SNVBAGLBSA-N 321.178 2.292 0 50 DEAA CNC1CCN(C(=O)c2cc(F)ccc2Br)CC1 237091012 OOHOXWBAGVZGMH-UHFFFAOYSA-N 315.186 2.412 0 50 DEAA Cn1cc(-c2nn(C)cc2CN2CC(C)(CC(F)F)C2)cn1 2325757125 XEOAEUULGVYQAR-UHFFFAOYSA-N 309.364 2.298 0 50 DEAA O=C(N=c1[nH][nH]c2c1COCC2)c1cccc(-c2ccccc2)n1 2325840610 IGILZXFZPDIEIQ-UHFFFAOYSA-N 320.352 2.219 0 50 DEAA CC(C)=CCCc1nc(CC(N)=O)nn1-c1ccc(Cl)cn1 2356161416 VCNXEZSOHAUUNN-UHFFFAOYSA-N 319.796 2.242 0 50 DEAA CCCN1CCC[C@@]2(CCCN2Cc2cnn(C)c2C)C1=O 2356162773 JUSNDQHDNKEODL-QGZVFWFLSA-N 304.438 2.096 0 50 DEAA Cc1c(C(=O)NCCCN2CCCC2=O)oc2ccccc12 3613455 IWFQKFCMKSPZKG-UHFFFAOYSA-N 300.358 2.484 0 50 DEAA CC(C)(C)c1nnc2n(c1=O)N=C(c1ccc(F)cc1)CS2 4275652 QZEGLKJLQDRFBK-UHFFFAOYSA-N 318.377 2.433 0 50 DEAA CCn1ncc(S(=O)(=O)Nc2cc(C)ccc2OC)c1C 6706713 UUEQSKKQOIMGCE-UHFFFAOYSA-N 309.391 2.329 0 50 DEAA COc1ccccc1[C@@H]1NCCC[C@@H]1NC(=O)C(F)(F)F 225388369 KCJIGUZEHFEEOP-JQWIXIFHSA-N 302.296 2.167 0 50 DEAA CSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)CC(=O)N2 9332623 VCGSJSYQWBGXJK-VIFPVBQESA-N 305.334 2.105 0 50 DEAA CC(C)(C)c1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1 9614663 OEJRSUAGTUWCHI-UHFFFAOYSA-N 312.417 2.394 0 50 DEAA Cc1ccc(CN2CCN(Cc3cccnc3)C[C@@H]2CCO)o1 20600799 ABRJVLKYKWLNTK-KRWDZBQOSA-N 315.417 2.052 0 50 DEAA COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c1 100842445 JJWXQESESDNASB-KBXIAJHMSA-N 323.348 2.175 0 50 DEAA NNC(=S)Nc1ccc(Br)cc1OC(F)F 67800160 WXTGPBNKRBPYEN-UHFFFAOYSA-N 312.139 2.211 0 50 DEAA O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCOC1 170790318 QELIRBYRSFJYPL-INIZCTEOSA-N 302.418 2.194 0 50 DEAA Cc1nc(Cl)c(Cl)n1CC(=O)Nc1cn(C(C)C)nn1 20993703 MBBRSHDTTIREGJ-UHFFFAOYSA-N 317.180 2.309 0 50 DEAA CNC(=O)c1n[nH]c2c1[C@@H](/C(C)=C/c1ccccc1)CC(=O)N2 65434644 AYAGFJUVNMBSDV-ZJNQMXKESA-N 310.357 2.299 0 50 DEAA COc1ccc(NC(C)(C)C(=O)NC[C@@H]2CCCN(C)C2)cc1 67446814 YIDSBBVLXJFCCR-AWEZNQCLSA-N 319.449 2.344 0 50 DEAA C[C@@H](Oc1ccc(Cl)cc1)c1ccnn1S(C)(=O)=O 3016420 FLZDGUKQMULAQL-SECBINFHSA-N 300.767 2.484 0 50 DEAA COC(=O)C[C@@H](NC(=O)C(C)C)c1ccc(OC)c(OC)c1 170616063 OGAUSRQFRLMDTM-GFCCVEGCSA-N 309.362 2.080 0 50 DEAA CC(C)(C)C(=O)Nc1ccnc(I)c1O 35270533 YPBLOIHQOGCARH-UHFFFAOYSA-N 320.130 2.376 0 50 DEAA c1ccc([C@@H](NCc2nnc3n2CCCC3)[C@H]2CCOC2)cc1 329386146 POMPOMATELMCFR-MAUKXSAKSA-N 312.417 2.482 0 50 DEAA CC(C)N(C(=O)[C@@H]1CCOC1)c1ccc(CC(=O)N(C)C)cc1 253426767 IRMLHWGVEKOUOB-OAHLLOKOSA-N 318.417 2.095 0 50 DEAA CC(=O)N1CCC2(CC1)C[C@@H]2N(Cc1ccsc1)C(C)=O 435070245 MTTRGLZXZRNDCT-HNNXBMFYSA-N 306.431 2.498 0 50 DEAA COc1ccc(C(=O)N[C@H]2CCCc3ccc(F)cc32)nn1 330092993 RGYXBSXCNBLZCK-ZDUSSCGKSA-N 301.321 2.432 0 50 DEAA C[C@@H](CN(C)C(=O)/C=C/c1cccc2cccnc12)c1nnn[nH]1 124657364 DMBYEDKINDVHFY-BCPZQOPPSA-N 322.372 2.023 0 50 DEAA OC[C@@H]1C[C@H](F)CN1Cc1nnc(-c2ccc(Cl)cc2)o1 332162208 QWISCCMYIRBGQU-RYUDHWBXSA-N 311.744 2.295 0 50 DEAA Cn1ccnc1C(=O)NCc1cn[nH]c1-c1ccc(Cl)cc1 214948385 MUOREFNVACTRFL-UHFFFAOYSA-N 315.764 2.394 0 50 DEAA CC(C)N1CCC[C@H](N2CCOc3cccc(F)c3C2)C1=O 374563500 TXNYZHIYTVGBBY-HNNXBMFYSA-N 306.381 2.420 0 50 DEAA NC(=O)c1noc(CN2CCCC[C@@H]2CCc2ccccc2)n1 72132128 NYLPEUPLARRJOU-CQSZACIVSA-N 314.389 2.156 0 50 DEAA O=C(O)CNC(=O)CN1CCCCC[C@H]1c1ccc(Cl)cc1 262206637 JCESMBFTUFFSMK-AWEZNQCLSA-N 324.808 2.458 0 50 DEAA Cc1cc(Cl)c(C(=O)N2CCC(O)(C(=O)O)CC2)cc1C 262741956 GWTMBZYXLXYAKA-UHFFFAOYSA-N 311.765 2.009 0 50 DEAA Cc1cc(C)nc(N2CCN(CC(F)(F)F)C[C@@H](C)C2)n1 450866430 GDPKTSMFBSBNFU-SNVBAGLBSA-N 302.344 2.414 0 50 DEAA CC(=O)c1cc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)n(C)c1 378624378 PLYHGKBAXOIDQA-HNNXBMFYSA-N 311.385 2.328 0 50 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CCCCSc1nc(N)cc(N(C)Cc2cnccn2)n1 95380727 WQVBEYPMPOJALO-UHFFFAOYSA-N 304.423 2.377 0 50 DEAA CN(Cc1ccc2nonc2c1)C(=O)c1ccc(C(=O)O)s1 97288807 KJRATBOMZJTZOM-UHFFFAOYSA-N 317.326 2.255 0 50 DEAA O=C(CCc1cccnc1)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244742023 OAROXMHIHATECM-DAYGRLMNSA-N 311.385 2.038 0 50 DEAA CCCOc1ccc(C(=O)N2CCC(=O)NC[C@H]2C)cc1Cl 244852648 UWILHSGNWCVKPT-LLVKDONJSA-N 324.808 2.479 0 50 DEAA COc1ccccc1OCCn1c(C)nn(C(C)(C)C)c1=O 180396910 ANSAHLVQLSTHEK-UHFFFAOYSA-N 305.378 2.196 0 50 DEAA Cn1cc([C@@H]2CN(c3c(Cl)cccc3C#N)C[C@H]2CO)cn1 299748025 FWSHWRLSINIPEA-KBPBESRZSA-N 316.792 2.157 0 50 DEAA Cn1ccnc1[C@H](NC(=O)CCc1cc(Cl)no1)C1CC1 534639213 ZBDURXXUYJDDKI-CYBMUJFWSA-N 308.769 2.262 0 50 DEAA Cc1cc(=O)cc(C(=O)N[C@@H]2CCCN(C3CCCC3)C2)o1 299771168 VSWDPXHHRZYSMH-CYBMUJFWSA-N 304.390 2.085 0 50 DEAA COCC(=O)Nc1ccc(NC(=O)C[C@H]2CCCCN2C)cc1 824312842 ALWKFWPUCZEKCE-OAHLLOKOSA-N 319.405 2.084 0 50 DEAA Cc1cc(C)nc(CNC(=O)CCn2cnc3ccccc32)n1 827822303 FQCCQQMAFIGQNS-UHFFFAOYSA-N 309.373 2.150 0 50 DEAA Cc1nc(C)c(C(=O)NCc2csc(-c3cnccn3)n2)o1 825268559 VGXLSNORNGTMDJ-UHFFFAOYSA-N 315.358 2.135 0 50 DEAA CCOCCNC(=O)c1ccc(-c2ncnn2C(C)C)cc1 584894321 NSDZJQQYELYFAE-UHFFFAOYSA-N 302.378 2.292 0 50 DEAA Cc1cc(C(=O)N2CCCN(C(=O)C3CCC3)CC2)c(C)o1 939957677 GZFFCDULMARZPW-UHFFFAOYSA-N 304.390 2.371 0 50 DEAA Cc1c(C(=O)N2CCOC[C@H]2C(=O)O)oc2ccc(Cl)cc12 268998732 XKSNOQUUPVUKKP-NSHDSACASA-N 323.732 2.320 0 50 DEAA Cc1cc2ccccc2n1CC(=O)NS(=O)(=O)CC1CCC1 165011157 YYEDSXLDSKQDKM-UHFFFAOYSA-N 320.414 2.196 0 50 DEAA Cc1ccc(CC(=O)NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)s1 408494563 HUKUFANWMVOQBF-NTZNESFSSA-N 313.444 2.234 0 50 DEAA CC(C)C1(CNC(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)CC1 408517233 CXMJTOIYZAVKOP-HNNXBMFYSA-N 323.458 2.367 0 50 DEAA Cc1cc(S(=O)(=O)N2c3ccncc3N3CC[C@H]2C3)c(C)o1 1776003834 IHEHQWFQVFXBOX-LBPRGKRZSA-N 319.386 2.079 0 50 DEAA CN1C(=O)CCc2cc(CN3CCOC[C@H]3C3CC3)ccc21 187032672 RKAYGCDZYRQYMM-KRWDZBQOSA-N 300.402 2.206 0 50 DEAA 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2.046 0 50 DEAA O=C1NN(c2cc(C(F)(F)F)ccn2)C(=O)[C@@H]2CC=CC[C@@H]12 1119065546 JZAMGXOHJFDJFN-NXEZZACHSA-N 311.263 2.061 0 50 DEAA CCN(CC)[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)N3C)C1 1875295431 XUVBTASBZGYVRM-YYIAUSFCSA-N 322.497 2.127 0 50 DEAA C[C@@H](NC(=O)c1ccc2c(Br)cncc2c1)C(=O)O 1875340152 OAMGDXCMOGIGTC-SSDOTTSWSA-N 323.146 2.200 0 50 DEAA Cc1cnc2c(C(=O)NCC[C@H]3CCC(C)(C)CO3)cnn2c1 887410366 MUSPKYDWHIEBIQ-CYBMUJFWSA-N 316.405 2.363 0 50 DEAA CO[C@H]1C[C@H](c2nnc(C)o2)N(Cc2cccc3c2OCO3)C1 1775959340 WMTBTDOOVCYCKC-QWHCGFSZSA-N 317.345 2.069 0 50 DEAA Cc1noc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1C 266266693 YVBYGTUSIBBWBJ-LLVKDONJSA-N 303.293 2.495 0 50 DEAA Cc1ccc(OCCn2c(=S)[nH]c3c(N)ncnc32)cc1 5687760 KKSYXUAEBWBHOR-UHFFFAOYSA-N 301.375 2.459 0 50 DEAA biogenic,in-vitro C[C@H](c1ccccc1)n1cccc1C(=O)N1[C@H]2CC[C@H]1C(=O)NC2 2325790104 NEARUFWFSGKCEF-KBMXLJTQSA-N 323.396 2.200 0 50 DEAA CO[C@@H]1CC[C@H]1CC(=O)N1CCN(c2cc(F)cc(F)c2)CC1 2325804351 HUJQAYSHIKRTFE-BLLLJJGKSA-N 324.371 2.429 0 50 DEAA Cc1nc(Cc2noc(-c3cccc(-n4ccnc4)c3)n2)no1 118165982 UJZFISWNTOARMA-UHFFFAOYSA-N 308.301 2.205 0 50 DEAA O=C(NC1Cc2ccccc2C1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 248849300 AJDBEPFNVPIRJT-BBWFWOEESA-N 300.402 2.411 0 50 DEAA COc1ccc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 195376 FVHRFKVYLCTNKI-UHFFFAOYSA-N 320.433 2.499 0 50 DEAA COc1ccc(CC(=O)Nc2ccc(O)cc2C(=O)O)cc1 226990 OFSJLEJAHSQUGX-UHFFFAOYSA-N 301.298 2.280 0 50 DEAA biogenic O=C(O)c1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 4812748 RSYBDRBOQGBIFC-VXGBXAGGSA-N 305.717 2.407 0 50 DEAA CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2)C1 6745301 YCDQSLDEICBTGQ-CQSZACIVSA-N 324.446 2.385 0 50 DEAA Cn1cnnc1CCNC(=O)CSCc1ccccc1Cl 55370121 KHGSQZWAZWDWKB-UHFFFAOYSA-N 324.837 2.061 0 50 DEAA C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C[C@@H]1CSCCN1 132977380 ASKGGSQRWYXZJC-FVQBIDKESA-N 304.459 2.486 0 50 DEAA CCN1CCC(N2CCCN(Cc3nc(C)cs3)CC2)CC1 420982081 OOQFBWIXTLPFBF-UHFFFAOYSA-N 322.522 2.444 0 50 DEAA CN(C(=O)c1cccc(Nc2cnn(C)c2)c1)[C@@H]1CCC[C@H]1O 341800568 IWWRQVDPFJDIKC-HZPDHXFCSA-N 314.389 2.149 0 50 DEAA Cc1cccnc1CNC(=O)NC[C@@H]1CCN(CC(C)C)C1 133676116 BUPBLOIVBYDRLX-HNNXBMFYSA-N 304.438 2.167 0 50 DEAA CCCn1nc(CNc2ccc(Br)cc2)[nH]c1=O 61719113 TYPCAPSERBFCQK-UHFFFAOYSA-N 311.183 2.356 0 50 DEAA O=C(Cc1ccc(F)cc1)Nc1cncnc1N1CCCC1 137325393 BEVDYROYQFMSAR-UHFFFAOYSA-N 300.337 2.397 0 50 DEAA CCc1nc2nnc3c(=O)n(-c4ccc(C)cc4C)ccc3n2n1 67630946 ZXVJJTOKAKFLKL-UHFFFAOYSA-N 320.356 2.003 0 50 DEAA CC(=O)Nc1ccc(OC[C@H](O)Cn2nc(C)c(C)c2C)cc1 4727745 HTYZRLHIALAGLS-MRXNPFEDSA-N 317.389 2.207 0 50 DEAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](N3CC=CC3)C2)c1 229907459 FMILDTUHEMBMMC-BPQIPLTHSA-N 312.413 2.271 0 50 DEAA CN(C)c1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cn1 252517940 VKPORKBAUZMUKW-MRVWCRGKSA-N 304.394 2.083 0 50 DEAA COC(=O)c1ccc(OCCN2CCO[C@H]3CCCC[C@H]32)cc1 230198445 XGVSEFOHIFQBER-SJORKVTESA-N 319.401 2.495 0 50 DEAA Cc1ccn(CCC(=O)N[C@@H](C)c2nncn2C2CCCC2)n1 219880275 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Cc1nc2c(c(N3CCC[C@@H](c4nncn4C)C3)n1)CCCC2 253426608 UPAPCJGASGSWSX-CYBMUJFWSA-N 312.421 2.176 0 50 DEAA OC[C@@H](Cc1ccccc1)NC1CCN(c2nccs2)CC1 158165752 HQXGYXPJXPTHCB-MRXNPFEDSA-N 317.458 2.305 0 50 DEAA C[C@H](C(=O)O)[C@@H](NC(=O)[C@H](C)n1cccn1)c1ccccc1 262547716 WHTAZINFGFGYPV-SGMGOOAPSA-N 301.346 2.022 0 50 DEAA CC(C)n1ccc(C(=O)N(CC(=O)O)Cc2ccc(F)cc2)n1 262844675 CMQNEQQWSYQVFG-UHFFFAOYSA-N 319.336 2.330 0 50 DEAA COc1ccc2cc(CN3CC[C@@H](CO)[C@@H](O)C3)ccc2c1 1204516081 VNOLMAYNKGKJNX-WMZOPIPTSA-N 301.386 2.024 0 50 DEAA O=C(CO)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 1125089848 ZHNSYZOHHGEMLI-HNNXBMFYSA-N 313.332 2.025 0 50 DEAA C=CC(=O)N1CCC(C(=O)NC[C@H](SC)C(C)(C)C)CC1 1875365163 ZHXMZKPLRTYVAY-ZDUSSCGKSA-N 312.479 2.305 0 50 DEAA C[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2F)[C@H](C)CCO1 1875330219 SKGMIVKLOVQJSM-GHMZBOCLSA-N 305.357 2.005 0 50 DEAA Cn1nc(C2CCCC2)cc1C(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 1875309235 ZONINIOJMVURPF-KKUMJFAQSA-N 317.433 2.311 0 50 DEAA 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LYXFHNMSLPSKMB-UHFFFAOYSA-N 308.765 2.474 0 50 DEAA O=C1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3F)o2)N1 345565362 LGZNDSIDSMWBNA-LLVKDONJSA-N 316.332 2.484 0 50 DEAA Cc1cc(Br)ccc1OCCN1CCN(C)CC1 20118736 GQWGXEMNDRRGEP-UHFFFAOYSA-N 313.239 2.384 0 50 DEAA CSCC[C@@H](CO)Nc1cc(C)nc(-c2cccnc2)n1 65425613 OPMUNWFKMRBWNS-ZDUSSCGKSA-N 304.419 2.373 0 50 DEAA O=C(CNCCCc1ccccc1O)NCc1ccccc1F 65373454 DIFFCNXHAIHWBP-UHFFFAOYSA-N 316.376 2.370 0 50 DEAA Cn1cncc1CNC[C@@H]1C[C@H](F)CN1Cc1cccs1 328631800 KXINZJBYHUIYSS-STQMWFEESA-N 308.426 2.184 0 50 DEAA CN(C)c1ncccc1CNC(=O)[C@@H](O)c1ccc(Cl)cc1 67894500 PWUSRPBHTGBESB-AWEZNQCLSA-N 319.792 2.151 0 50 DEAA Cc1ccnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1 328624165 JTMFCJVXFYOCMR-GOEBONIOSA-N 314.437 2.038 0 50 DEAA C[C@H](COc1ccccc1)NCCn1ncc2ccccc2c1=O 65371354 OZHQJGAJIGVSLX-OAHLLOKOSA-N 323.396 2.454 0 50 DEAA CCCCOc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 32106291 GSFQJPLGVOTORF-UHFFFAOYSA-N 322.390 2.039 0 50 DEAA C[C@@H](O)C(=O)N1CCc2[nH]nc(-c3cccc4ccccc34)c2C1 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CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2ncc(C)c(C)n2)C1 372167905 XJKBUSNGELVKMU-CYBMUJFWSA-N 314.393 2.159 0 50 DEAA CCOc1ccc(-c2ccnc(N[C@@H](C)CO)n2)cc1C(=O)O 77319676 UVELHHIQCREWTF-JTQLQIEISA-N 317.345 2.033 0 50 DEAA Cc1cccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)n1 36385740 YFISHJUKQFKCEG-GOSISDBHSA-N 303.450 2.201 0 50 DEAA CCn1ncnc1CN1CCC[C@@H](c2nc(CC(C)C)no2)C1 215152319 KPWRJJKJUJHNGO-CYBMUJFWSA-N 318.425 2.259 0 50 DEAA O=C(c1sccc1-n1ccnn1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 333773718 SIGNYWNLQLDGCQ-ZDEQEGDKSA-N 312.398 2.223 0 50 DEAA C[C@@H](NC(=O)[C@H]1COCCN1)c1c(Cl)ccc(F)c1Cl 237442669 VMYUHLUSDHUQRS-GMSGAONNSA-N 321.179 2.298 0 50 DEAA O=C(Cc1ccc2c[nH]nc2c1)N1CCCC[C@H]1[C@@H]1CCNC1 333850038 PXBMOAJXLWDPIS-WBVHZDCISA-N 312.417 2.096 0 50 DEAA Cc1cccc(OCC(=O)N2CCC[C@@H](CCC(=O)O)C2)c1 237696473 JJTTXXZDWVDAOG-AWEZNQCLSA-N 305.374 2.477 0 50 DEAA CCCc1nc(C)cc(OCC(=O)NC(C)(C)C)c1C(=O)OC 241719834 QPZXKCYFLVESIH-UHFFFAOYSA-N 322.405 2.423 0 50 DEAA O=C(c1cc(C2CC2)no1)N1CCC(Nc2cccnn2)CC1 281619363 ANNPZBLQOUETHK-UHFFFAOYSA-N 313.361 2.059 0 50 DEAA CC1(C)OC(=O)C[C@@H]1C(=O)N1CCCC[C@@H]1c1ccccn1 226848178 KIYDVIICZYIHNT-TZMCWYRMSA-N 302.374 2.477 0 50 DEAA Cc1cc([C@@H]2CN(CCc3ccnn3C)CCO2)ccc1F 242304981 YTTUPSMLGGIMLY-KRWDZBQOSA-N 303.381 2.484 0 50 DEAA CC(C)n1cnnc1C1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 338175810 QIUPKYRCUNSSBA-RYUDHWBXSA-N 312.364 2.466 0 50 DEAA COC[C@@H](C)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 173706778 KLZRBAPXVUGWEI-NVXWUHKLSA-N 304.434 2.392 0 50 DEAA Cc1noc(C)c1CN1CCN(c2nccnc2C(F)F)CC1 288091557 IWCRGQHWPASIIU-UHFFFAOYSA-N 323.347 2.341 0 50 DEAA Cc1cc(C)nc(N[C@@H]2CCOC[C@H]2OCc2ccccn2)n1 223829715 LBZMJCGQPOZUIH-HZPDHXFCSA-N 314.389 2.275 0 50 DEAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cncs1 223553350 VZILZQLIGLRTEO-ZIAGYGMSSA-N 318.398 2.247 0 50 DEAA O=C(NCCn1cc(Cl)cn1)[C@@H]1CCc2ccccc2C1 220557105 JTGADYMPOHFVRA-CQSZACIVSA-N 303.793 2.458 0 50 DEAA COc1ccc(Cl)cc1NC(=O)c1nn(C)cc1C(=O)O 20614558 SFUXIFFEEJQILF-UHFFFAOYSA-N 309.709 2.033 0 50 DEAA 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LGCMSWFBEIPHAH-UHFFFAOYSA-N 306.410 2.068 0 50 DEAA COc1ccc(/C=C/C(=O)NC(=S)N2CCSCC2)cc1 324675 ADRXJKTYKOIUFX-QPJJXVBHSA-N 322.455 2.158 0 50 DEAA CCCn1nc(C)cc1NC(=O)[C@@H](N)Cc1ccc(OC)cc1 1529175012 ZXBSOHNNZMYVIS-HNNXBMFYSA-N 316.405 2.119 0 50 DEAA Fc1ccc(N2CCCN(CC[C@@H]3COCCO3)CC2)cc1 1775981080 NOCPIYVXUXKWLR-QGZVFWFLSA-N 308.397 2.143 0 50 DEAA C1CC[C@H](CNc2nc3nonc3nc2NC2CCCC2)OC1 12023845 QJRGTLHTDTWELK-LLVKDONJSA-N 318.381 2.348 0 50 DEAA C[C@@]12CC3CC(C(=O)NCCN4CCOCC4)(C1)C[C@](C)(C3)C2 16552131 AFAIYXKLJOBPAR-AFGAAMFOSA-N 320.477 2.431 0 50 DEAA Cc1nn(CCCNC(=O)[C@@H]2C[C@@H]2C)cc1Br 17024889 VDOCYMWDFCESCP-WCBMZHEXSA-N 300.200 2.116 0 50 DEAA O=C(Nc1ccc2c(c1)OCO2)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 169619972 WHGLHSHSJOVYAE-LBLXLQPISA-N 303.314 2.101 0 50 DEAA Cc1nc(C(C)C)sc1C(=O)N[C@H]1C[C@H]2CO[C@H](C)CN2C1 1857721354 LFFLVVPSRLSGNQ-WXHSDQCUSA-N 323.462 2.166 0 50 DEAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)O 2567671 CYAOPVHXASZUDE-NSHDSACASA-N 301.289 2.485 0 50 DEAA 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DEAA CCc1ccc(S(=O)(=O)N2CC[C@H](C(C)(C)O)C2)s1 721817747 QRYBYRAFQATTHF-JTQLQIEISA-N 303.449 2.092 0 50 DEAA CC[C@@]1(C)OC(=O)N(CCC(=O)Nc2ccc(F)cc2)[C@]1(C)O 4751528 UWWOSWBXLUTLRW-HZPDHXFCSA-N 324.352 2.484 0 50 DEAA Cc1cc(C)c2c(NC(=O)CN(C)Cc3ccncc3)n[nH]c2n1 2100483935 SUWNQMQDWXZNNJ-UHFFFAOYSA-N 324.388 2.040 0 50 DEAA C[C@H](CN)n1cc(COc2ccccc2Br)nn1 2325796354 KWQGDVFZUJNCNX-SECBINFHSA-N 311.183 2.139 0 50 DEAA C[C@H]1CCCC[C@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 248679160 DWVLNFSEXBZHMN-BBWFWOEESA-N 324.513 2.138 0 50 DEAA O=C(NCCCn1ccnc1)NC(C(F)(F)F)C(F)(F)F 6191444 XFPBTRXRMAUCAD-UHFFFAOYSA-N 318.221 2.066 0 50 DEAA Cc1ccc(-c2nnc(NC(=O)N[C@@H]3CCCNC3)s2)cc1 55253115 UOFMOMIRHYCFOO-GFCCVEGCSA-N 317.418 2.387 0 50 DEAA O=C1CNC(=O)N1Cc1nc(C2CCC(F)(F)CC2)cs1 225451928 WTNFBKVAEWQJEC-UHFFFAOYSA-N 315.345 2.488 0 50 DEAA Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100698587 WXZZVLGELIAGPE-PYTWLRIVSA-N 324.380 2.131 0 50 DEAA COC(=O)c1cnc(N2CCC[C@@H]2c2csc(C)n2)nc1 343018016 UJFMGKCGIMHHJX-GFCCVEGCSA-N 304.375 2.370 0 50 DEAA CC(C)(C)CN1CCN(Cc2ccc(O)cc2)C[C@@H]1CCO 20449658 UQMONCGXMBYCDD-INIZCTEOSA-N 306.450 2.307 0 50 DEAA CCn1ncc(C(=O)NCc2nccn2Cc2ccccc2)c1C 65435422 ZDOQRCCHAXQGIN-UHFFFAOYSA-N 323.400 2.386 0 50 DEAA C[C@H](CCc1ccco1)Nc1nccc(N2CCC(O)CC2)n1 65427095 PGQWSQXGNVJVTB-CYBMUJFWSA-N 316.405 2.464 0 50 DEAA Cc1cc2c(N3CCC4(CC3)CNC(=O)C4)ncnc2s1 65374090 RSAGRMMIBJNFNV-UHFFFAOYSA-N 302.403 2.106 0 50 DEAA CCCn1cnnc1CN(C)c1cc(N2CCCCC2)ncn1 65496008 SQMFNIPUDPZSKV-UHFFFAOYSA-N 315.425 2.105 0 50 DEAA Cc1nc(-c2scc3c2OCCO3)n(-c2ccccn2)n1 65395677 ZJGIRASSBXWQEY-UHFFFAOYSA-N 300.343 2.470 0 50 DEAA CS(=O)(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 65394363 HQNRSJUVPSIHFO-UHFFFAOYSA-N 303.387 2.147 0 50 DEAA C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1 57319 LSLYOANBFKQKPT-GTNSWQLSSA-N 303.358 2.058 0 50 DEAA biogenic,world Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)c1cncn1C 425584044 NUUDXEQQXPWZJN-SNVBAGLBSA-N 313.283 2.079 0 50 DEAA 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Cc1c(NC(=O)N2CC[C@H](CN)C2)cccc1N1CCCC1 299784821 HUEIONNMJLHAIK-CQSZACIVSA-N 302.422 2.408 0 50 DEAA Cc1cc(S(=O)(=O)NCc2noc(C(C)C)n2)c(C)s1 825312881 PAWIUIZBCIGKRE-UHFFFAOYSA-N 315.420 2.350 0 50 DEAA Cc1nc(SCCNC(=O)c2nc(C(C)C)cs2)n[nH]1 825261758 POWOAABDWOJMCP-UHFFFAOYSA-N 311.436 2.215 0 50 DEAA COc1ccc2c(c1)CCN(C(=O)COC[C@H]1CCCCO1)C2 584891354 XBPAGPOBBCICTN-QGZVFWFLSA-N 319.401 2.166 0 50 DEAA Cc1c[nH]ccc1=NCCNC(=O)C1=Cc2ccccc2OC=C1 670461278 PLWKGKJLIJLQHP-UHFFFAOYSA-N 321.380 2.330 0 50 DEAA CCc1nnc(CN(C)S(=O)(=O)c2ccc(CC)s2)o1 670441796 JMXKGILYZPYOCQ-UHFFFAOYSA-N 315.420 2.077 0 50 DEAA O=C1NCC2(CCN(c3ncccc3C(F)(F)F)CC2)O1 670436344 IMCKFWPYNDTSBX-UHFFFAOYSA-N 301.268 2.179 0 50 DEAA Cc1ccc(CC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)o1 1337267780 GILLYHBEFGPFPS-SFHVURJKSA-N 322.368 2.423 0 50 DEAA COc1cccc(C)c1C(=O)N1CCC[C@@H](c2n[nH]c(C)n2)C1 952975737 SYGUTDLBSOYRBF-CYBMUJFWSA-N 314.389 2.450 0 50 DEAA Cc1[nH]nc(CN[C@@H]2CCCN(C(=O)c3ccco3)C2)c1Cl 952977601 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318.468 2.032 0 50 DEAA CN1C[C@@H](CCCCN2CCN(c3ccccc3)CC2)OC1=O 2014745 YMGFZHCYOFMGSV-QGZVFWFLSA-N 317.433 2.430 0 50 DEAA CN(C)c1ccc(-c2ccnc(N3C[C@@H]4CCN(C)[C@@H]4C3)n2)cc1 2356138551 MCCWWTFFFAGTEW-MAUKXSAKSA-N 323.444 2.350 0 50 DEAA COC(=O)c1ccccc1NC(=O)COc1ccc(C=O)cc1 2860101 KQAYTMZYSLNNHY-UHFFFAOYSA-N 313.309 2.303 0 50 DEAA CN1CCC[C@]2(CCCN2CCOc2ccc(F)cc2)C1=O 2356161280 OBMFRTJBMOMVHH-KRWDZBQOSA-N 306.381 2.291 0 50 DEAA O=CO[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 3221561 JPYXNVANGJFPMS-QWHCGFSZSA-N 317.794 2.103 0 50 DEAA COc1ccc(OC)c(S(=O)(=O)N[C@H](C)C(C)(C)C)c1 6698735 JGKFHASSLTUFCR-SNVBAGLBSA-N 301.408 2.417 0 50 DEAA CCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1C 6703302 LBYDQQBPJMVXSK-UHFFFAOYSA-N 306.391 2.117 0 50 DEAA C[C@H]1CN(c2nc3ccccc3nc2N[C@H](C)CO)C[C@H](C)O1 221851042 WGOJPNORTQHOOG-AGIUHOORSA-N 316.405 2.036 0 50 DEAA O=S(=O)(/C=C/c1ccccc1)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 110648673 CZQFDJLACMDVHB-DNVMXVOMSA-N 305.399 2.096 0 50 DEAA 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323.919 2.325 0 50 DEAA in-vitro C[C@@](CNC(=O)c1ocnc1C1CC1)(C(=O)O)c1ccccc1 630168941 DTYASIMFNBVCPQ-KRWDZBQOSA-N 314.341 2.324 0 50 DEAA CC(=O)N(C[C@@H]1CCCN1C(=O)Nc1ccncc1C)C1CC1 276039285 RXQOQCZTEWNKRC-HNNXBMFYSA-N 316.405 2.397 0 50 DEAA CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2O)cc(Cl)c1O 186881761 KZCBMWMOXDLNLT-NEPJUHHUSA-N 313.781 2.478 0 50 DEAA C[C@H](N[C@]1(CO)CCOC1)c1cc(Br)ccc1F 170077944 RIDYRTVIKXEJPZ-ZANVPECISA-N 318.186 2.390 0 50 DEAA COc1ccc2[nH]c(C(=O)NCc3nnc(C4CC4)o3)cc2c1 193999576 KOPYLKWWFSJYDT-UHFFFAOYSA-N 312.329 2.367 0 50 DEAA CC1CCN(C(=O)C2CCN(C(=O)c3ccc[nH]3)CC2)CC1 194317117 AINJTEQYGUOXTP-UHFFFAOYSA-N 303.406 2.125 0 50 DEAA ClC1(Cl)C[C@H]1CCN1CCN(Cc2cocn2)CC1 1615615275 MXFNROMUUQLFPR-LLVKDONJSA-N 304.221 2.376 0 50 DEAA CCc1cc(N(C)Cc2cnn(C)c2)nc(N2CCCCC2)n1 1529169334 WBAWFOOGUAPMMF-UHFFFAOYSA-N 314.437 2.399 0 50 DEAA Cc1cc(F)cc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1 1704337296 UQHSYXBKCMHVMF-QZTJIDSGSA-N 306.425 2.413 0 50 DEAA COc1cc2c(cc1CN(C)[C@H]1C[C@H]3C[C@@H](O)C[C@H]3C1)OCO2 1704353526 ZJXDNVDCZOESLZ-CUFDPUGPSA-N 319.401 2.405 0 50 DEAA CC(C)c1cccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)c1 1772701563 FOBAGBYBJJJDNR-PBHICJAKSA-N 302.418 2.213 0 50 DEAA O=C(O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 5900832 MCLYUBBOZKFRFQ-CYBMUJFWSA-N 324.336 2.376 0 50 DEAA CC[C@]12COC(=O)N1CCN(C(=O)Cc1cc(C)ccc1C)C2 1857680790 PBKZDYVRXVBWGX-SFHVURJKSA-N 316.401 2.289 0 50 DEAA Cc1c([C@H]2OCC[C@@H]2NCc2ccc3c[nH]nc3c2)cnn1C 328644328 ZCSPGMYKCUZMLN-DOTOQJQBSA-N 311.389 2.225 0 50 DEAA Cc1cnn(CC(=O)Nc2ccc(C[C@H](C)C(=O)O)cc2)c1 432003845 UZTBOMRDYSNACZ-LBPRGKRZSA-N 301.346 2.093 0 50 DEAA Cc1nc(C)c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)s1 237684799 LPCCRKCBQXZHPM-CYBMUJFWSA-N 316.382 2.412 0 50 DEAA O=C(O)CC[C@@H]1CCCCN1C(=O)CCc1nc(C2CC2)no1 237924890 MEZIFIRPCWEPNH-LBPRGKRZSA-N 321.377 2.126 0 50 DEAA NC(=O)C1(NC2CCCCC2)CCN(Cc2ccccc2)CC1 17003626 WVWNBANESWUIBO-UHFFFAOYSA-N 315.461 2.429 0 50 DEAA in-vitro Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)C[C@@]1(C)CC1(F)F 585115629 LGCPRQQLNFYGAA-PRHODGIISA-N 322.377 2.187 0 50 DEAA Cc1n[nH]c(-c2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)O)C3)cc2)n1 263359588 XZGFWCBHYQIWIX-NEPJUHHUSA-N 314.345 2.220 0 50 DEAA CN1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cccc(O)c3)C[C@]2(C)C1 913275780 WIKPFOWIWVMAGR-NBMJBFSESA-N 314.429 2.296 0 50 DEAA Cn1nccc1[C@@H]1CCCN1CC(=O)Nc1ccc(F)cc1F 928995884 KWEFYJNMRHOOTP-HNNXBMFYSA-N 320.343 2.474 0 50 DEAA COc1cnc(NC(=O)NCc2cccc3c2OCC3)s1 931284662 XNVKFZKXDRYXHB-UHFFFAOYSA-N 305.359 2.408 0 50 DEAA C=CC(=O)N1CCC(C(=O)Nc2cc(C)cnc2OCC)CC1 1875365804 PFLIMNQSBCKKLU-UHFFFAOYSA-N 317.389 2.152 0 50 DEAA Cc1cccc(CONC(=O)C2C[C@H]3CC(O)C[C@H](C2)C3)n1 1875395104 LIHKQWLTSNSXSO-ILGZHXLLSA-N 304.390 2.125 0 50 DEAA Cn1ccnc1CN[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1 886031034 CKRTUWXGDWCVCE-YJBOKZPZSA-N 323.400 2.226 0 50 DEAA O=C(Nc1cccnc1)NC1[C@H]2CN(Cc3ccccc3)C[C@H]12 888096812 RVTVDYCXOOHXNS-HOTGVXAUSA-N 308.385 2.334 0 50 DEAA COc1ncc(-c2nnc([C@]3(OC)CCOC3)o2)cc1Cl 1775959499 BZMTWGMWTDOQCB-ZDUSSCGKSA-N 311.725 2.056 0 50 DEAA Cn1nnc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)n1 1775994599 LOZZUYUJQYDZET-NSHDSACASA-N 306.757 2.233 0 50 DEAA CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)O)cn2)CC1 1775954828 NCOWCONSLLIYGE-UHFFFAOYSA-N 307.350 2.289 0 50 DEAA CCCS(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1 19525189 YPIFCFGJQAOQCK-UHFFFAOYSA-N 316.854 2.197 0 50 DEAA CC(C)(O)CN1CCN(c2ncc(C(F)(F)F)s2)CC1 302656310 ABKRFAVVUQNXCH-UHFFFAOYSA-N 309.357 2.055 0 50 DEAA COc1cc(CN2[C@H]3CC[C@@H]2C[C@@H](CO)C3)cc2c1OCO2 2100545696 YWCSUORHZKLPSL-ZSOGYDGISA-N 305.374 2.159 0 50 DEAA COc1cc(=O)n2c(c1C(=O)NC1CCCC1)CCCCC2 583648825 WYGASKQBWRJBDQ-UHFFFAOYSA-N 304.390 2.256 0 50 DEAA CCc1nccn1C[C@H](C)NC(=O)c1nc2cnccc2s1 2325782724 ZGYOGTJSHWIDCM-JTQLQIEISA-N 315.402 2.269 0 50 DEAA O=C(NCCCN1CCCC1=O)c1cc(F)c(F)cc1Cl 4750345 KXFLEOXCQYHOHX-UHFFFAOYSA-N 316.735 2.361 0 50 DEAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)ccc2C)C1 10302189 NSVCMIBRFOBSMI-AWEZNQCLSA-N 324.446 2.304 0 50 DEAA CCCOc1cc(C)c(C)cc1S(=O)(=O)N[C@H](CC)CO 54363579 YAOMKWCGDDLCII-CYBMUJFWSA-N 315.435 2.141 0 50 DEAA O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2O1 101869898 QVINHXWQYJHHQN-DDHJBXDOSA-N 310.136 2.436 0 50 DEAA O=C(NCc1ccco1)c1cn2c3c(cccc3c1=O)CCC2 22235165 CSWNJNPRYQKZHM-UHFFFAOYSA-N 308.337 2.471 0 50 DEAA Cc1c(CN2CC[C@@](O)(Cc3ccc(F)cc3)C2)cnn1C 420983686 RFGQCEUHBWQDPX-QGZVFWFLSA-N 303.381 2.047 0 50 DEAA O=C(NCC[C@H]1CCCN(Cc2ccco2)C1)c1cncnc1 67871397 BJAPGDCDZIISTM-CQSZACIVSA-N 314.389 2.102 0 50 DEAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1noc(C(C)C)n1 248189729 KARVVZLJLHSVGO-XQQFMLRXSA-N 307.394 2.499 0 50 DEAA O=C(CCN[C@@H]1CCN(Cc2ccccc2)C1)Nc1cccnc1 65394814 VLANEXHJJKIELP-GOSISDBHSA-N 324.428 2.274 0 50 DEAA COc1ccc(CNc2ccccc2-c2nnn[nH]2)cc1OC 4710649 MFTLTYPZVGXMKN-UHFFFAOYSA-N 311.345 2.496 0 50 DEAA CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N(C)Cc1ccncc1 328623124 IWUGCAKLFFEIMG-GDBMZVCRSA-N 314.389 2.034 0 50 DEAA COC(=O)CCCC(=O)N1[C@@H](c2ccccc2)COC[C@H]1C 253432752 NKJAHTPGJRRFHR-UKRRQHHQSA-N 305.374 2.318 0 50 DEAA O=C(c1cc(-c2cccnc2)on1)N1CCC[C@@H]1c1ncc[nH]1 253423066 VASJCLHKGGTNHP-CYBMUJFWSA-N 309.329 2.437 0 50 DEAA CCC[C@@H]1C[C@@H](C(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)CCO1 329154684 CCFCLAAQIPYKGQ-XQQFMLRXSA-N 322.409 2.159 0 50 DEAA CCCC[C@@H]1NC(=O)N(CCOc2cccc(OC)c2)C1=O 154273281 BYWFBLFXIINJFG-AWEZNQCLSA-N 306.362 2.185 0 50 DEAA CCc1nc(NC(=O)N2CCC(F)(F)[C@@H](CO)C2)sc1C 361742996 DWRZBHMWXYDICZ-SECBINFHSA-N 319.377 2.495 0 50 DEAA c1ccc(-n2nccc2-c2nccn2C[C@H]2COCCO2)cc1 71746774 KYQYSQLMJONBDN-HNNXBMFYSA-N 310.357 2.151 0 50 DEAA O=C(CCCC(F)(F)F)N1CCC[C@H](c2nnc(O)o2)C1 331243701 PTVHFNSCWDLZBG-QMMMGPOBSA-N 307.272 2.214 0 50 DEAA C=CC(=O)NCCC(=O)N[C@@H]1CCSc2ccc(F)cc21 155999777 YDYMIHVJZHWKKV-GFCCVEGCSA-N 308.378 2.171 0 50 DEAA CN(C)c1ccncc1C(=O)N1CC[C@H](Cc2ccncc2)C1 369900573 BWRDWVOVJJYLRG-OAHLLOKOSA-N 310.401 2.247 0 50 DEAA C[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)O 237334095 XWCROSMHMQLOIC-SSDOTTSWSA-N 314.263 2.400 0 50 DEAA Cc1cccc2[nH]c(CCC(=O)N3CC[C@H](N)C[C@H]3C)nc12 237473062 NRDOFHQVTMYKKP-OLZOCXBDSA-N 300.406 2.142 0 50 DEAA CCOc1cccc(S(=O)(=O)Nc2nnc(CC3CC3)o2)c1 240555603 GWPJDZKHGXGPGJ-UHFFFAOYSA-N 323.374 2.222 0 50 DEAA Cc1cc(S(=O)(=O)NCC(C)C)ccc1N1CCCC1=O 44905128 ORYHHFVCBGSZSX-UHFFFAOYSA-N 310.419 2.056 0 50 DEAA O=C(c1csc(Cc2ccccc2)n1)N1CC=C[C@@H]1CO 82116228 LWLMPOSOHBVMBN-CYBMUJFWSA-N 300.383 2.107 0 50 DEAA Cc1[nH]nc(C(=O)NCc2cccc(-n3cccn3)c2)c1Cl 426380193 ZHQLCJYIXOREQA-UHFFFAOYSA-N 315.764 2.487 0 50 DEAA COC(=O)[C@@H](O)C(OC)(c1ccc(F)cc1)c1ccc(F)cc1 139266369 PECNTYMYXXNZDC-OAHLLOKOSA-N 322.307 2.389 0 50 DEAA CCNC(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 82092216 GJBBPCXMCFQQNX-UHFFFAOYSA-N 319.453 2.241 0 50 DEAA Cc1cc(CC(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)on1 223831539 WDSCQAQYWNQBHO-UHFFFAOYSA-N 302.309 2.200 0 50 DEAA COc1ccccc1OC1CN(C(=O)[C@@H](N)C2CCCCC2)C1 91769787 IHUAFSHNFVFSIO-KRWDZBQOSA-N 318.417 2.192 0 50 DEAA CCCN1CCC[C@]2(CCN(c3ccc(C(=O)O)cn3)C2)C1=O 91892848 WHYRQQOBCFUPNO-QGZVFWFLSA-N 317.389 2.009 0 50 DEAA COCCC[C@@]1(C(=O)O)CCCN(c2cc(C3CC3)ncn2)C1 91690401 MRAPSBKVGFKVMY-KRWDZBQOSA-N 319.405 2.452 0 50 DEAA Cc1nc2c(N3CCC(CCn4cccn4)CC3)ncnc2o1 91931814 DODRTWHUABJWFC-UHFFFAOYSA-N 312.377 2.429 0 50 DEAA CSCc1ccc(C(=O)N2Cc3nnc(C)n3[C@H](C)C2)o1 96161707 HEIRTJIRRSBPCJ-SECBINFHSA-N 306.391 2.260 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)C1 178271039 DWYGZKXIDRUUEP-SNVBAGLBSA-N 319.748 2.277 0 50 DEAA c1ccc2oc(N3CCC(NCCc4cn[nH]c4)CC3)nc2c1 95378881 OANCBLASUCISRG-UHFFFAOYSA-N 311.389 2.352 0 50 DEAA NC[C@@H]1CCN(C(=O)COc2cc(Cl)ccc2Cl)C1 178514985 AUYDXWDNMPVFAI-VIFPVBQESA-N 303.189 2.179 0 50 DEAA O=C(CCN1CCC[C@H](O)C1)Nc1ccc(F)c(Cl)c1 244899284 ZGRJCALPNDUSCA-NSHDSACASA-N 300.761 2.264 0 50 DEAA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cncn1C 298593937 JADCFXHTVNNQHM-HOCLYGCPSA-N 310.401 2.177 0 50 DEAA COc1cccc(CNC(=O)c2cnc(C3CC3)nc2N)c1C 620757304 NWABYCVPOHOLGX-UHFFFAOYSA-N 312.373 2.183 0 50 DEAA COCCCOC1CN(C(=O)c2c[nH]c3cc(F)ccc23)C1 181249772 QIFKOEOCQDWZJJ-UHFFFAOYSA-N 306.337 2.185 0 50 DEAA Cc1ccc(C)c2c(O)cc(CN3CCO[C@@H](CCN)C3)nc12 253536413 PYTWZGMJYHCEOD-HNNXBMFYSA-N 315.417 2.107 0 50 DEAA O=C(NCc1ccc(N2CCOC2=O)cc1)c1cscn1 182216056 CISDZCKXBBLTGP-UHFFFAOYSA-N 303.343 2.030 0 50 DEAA C[C@]1(C(=O)N2CCC(Cc3cccnc3)CC2)CCCNC1 353740094 BMENYJHIAWPXSW-SFHVURJKSA-N 301.434 2.252 0 50 DEAA COc1ccc(CNC[C@@H]2CCCO2)cc1OCC1(C)COC1 299780362 RZLFWZSVKYDPHD-HNNXBMFYSA-N 321.417 2.379 0 50 DEAA Cc1n[nH]c(C)c1CCCNc1cc([C@@H]2CCOC2)ncn1 299799345 FVTNNWDHVGAQAN-CYBMUJFWSA-N 301.394 2.365 0 50 DEAA CC[C@H](C)[C@@H](NC(=O)NC1(CC(N)=O)CCC1)C(F)(F)F 585135756 ADCWAVMDTGCGIM-WCBMZHEXSA-N 309.332 2.061 0 50 DEAA FC(F)(F)c1noc(CN2CCC[C@@H](c3cc[nH]n3)C2)n1 670446628 XEFSFPJBZFBOFZ-MRVPVSSYSA-N 301.272 2.191 0 50 DEAA CCc1ncnc(N2CCC[C@H](CNC(=O)C3CCC3)C2)c1F 952975734 ZVGAABCHRHSTFG-GFCCVEGCSA-N 320.412 2.311 0 50 DEAA C[C@H](NC(=O)CCC1CCN(C)CC1)[C@H](O)c1ccc(O)cc1 1565525708 GHXROBNEMUUCDJ-UGSOOPFHSA-N 320.433 2.052 0 50 DEAA Clc1ccc(CCNc2nnnn2-c2ccccc2)cn1 301672272 QWZLVDIRTAXDBU-UHFFFAOYSA-N 300.753 2.365 0 50 DEAA C[C@H](C(=O)O)[S@@](=O)Cc1cccc(C(=O)N2CCCCC2)c1 408520171 PDABSEXZJWAAAG-IPQOISQHSA-N 323.414 2.035 0 50 DEAA C[C@H]1[C@@H](C)OCCN1C(=O)c1cc(F)cc2nc(S)[nH]c12 167353879 LABUCNCCPHIDLL-JGVFFNPUSA-N 309.366 2.240 0 50 DEAA Cc1nc(C)c(C(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)s1 276324426 PJDHJVDOXDQXKC-WCQYABFASA-N 320.418 2.144 0 50 DEAA CC(C)C(=O)N1CC[C@H](N[C@H](C)c2ccc([S@](C)=O)cc2)C1 170043175 KSOJDNPAWNJTGF-OXDBHQQFSA-N 322.474 2.332 0 50 DEAA COc1ccnc(NC2CCN(C(=O)c3cccs3)CC2)n1 170604674 BHLPZDYBRPGXRM-UHFFFAOYSA-N 318.402 2.263 0 50 DEAA CO[C@@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)c1ccccc1 192912910 MHJZCKCQNDZTOK-CZUORRHYSA-N 305.374 2.478 0 50 DEAA CC1(C)[C@H](NC(=O)C2(C(=O)O)CC2)C[C@H]1OCc1ccccc1 668302533 JKWDGWDITACKQH-ZIAGYGMSSA-N 317.385 2.351 0 50 DEAA CN(C)C(=O)OCCn1nc(C(F)(F)F)c2cnccc21 195578314 LIPXVYZXIHVWIW-UHFFFAOYSA-N 302.256 2.148 0 50 DEAA Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2sccc2C)o1 583621431 JPDAXZQLERCYJW-QWRGUYRKSA-N 324.381 2.095 0 50 DEAA CC(C)(C)OC(=O)N1C[C@H]2CCCN(C(=O)[C@H]3CCCO3)[C@H]2C1 585089710 SVZRSZBIEHUYLW-HZSPNIEDSA-N 324.421 2.023 0 50 DEAA O=C(N[C@H]1CCCC12OCCO2)c1cc(F)c(F)c(F)c1F 585128363 ZIFQOJXLBKIJIU-VIFPVBQESA-N 319.254 2.268 0 50 DEAA CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NOCc1ccc(F)cc1 757602727 BQUBHVFDOXFWMS-AWEZNQCLSA-N 322.380 2.411 0 50 DEAA CCc1cccc(S(=O)(=O)N[C@H]2CCc3ncccc3C2)c1 1615585323 BPPJJZSJONJOCA-HNNXBMFYSA-N 316.426 2.480 0 50 DEAA Cc1cc(C)n2ncc(CNCCCc3csc(N)n3)c2n1 1506421339 OTQPNVKLKKVANB-UHFFFAOYSA-N 316.434 2.107 0 50 DEAA COCCN(C)CC(=O)Nc1nnc(-c2ccc(C)cc2)s1 1506398995 JNIWTABHNRNGLC-UHFFFAOYSA-N 320.418 2.030 0 50 DEAA CSCc1noc(CN2CC[C@](O)(C3CCC3)[C@@H](C)C2)n1 213113956 PWNANJXPQLHUDE-XHDPSFHLSA-N 311.451 2.306 0 50 DEAA CN1CCN(c2noc(-c3ccccc3)n2)CC12CCOCC2 1800410379 SDEFKIXQSAXNRO-UHFFFAOYSA-N 314.389 2.038 0 50 DEAA O=C(O)[C@]12CN(Cc3csc4ccccc34)C[C@@]1(C(=O)O)C2 1704310007 WCCJRGCEFCXXLP-IYBDPMFKSA-N 317.366 2.263 0 50 DEAA O=C(Nc1cccc(Cl)c1)N1C[C@@H]2COCC[C@]2(CO)C1 1772700818 FEDCIJPYGNUFDA-IAQYHMDHSA-N 310.781 2.203 0 50 DEAA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccco2)NC(=O)N1 5065294 BYOZWILRYOGSJC-OAHLLOKOSA-N 311.341 2.224 0 50 DEAA N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1 13561228 DNVZYSMOLXCOLY-HNNXBMFYSA-N 309.841 2.160 0 50 DEAA in-vivo Cc1ccccc1-c1ncc(-c2nccn2C[C@H](O)CO)s1 1857688735 YPYPIRHMIWIUIW-LBPRGKRZSA-N 315.398 2.335 0 50 DEAA C[C@@H](CC(=O)N1CCN(C2CCCC2)CC1)c1cnn(C)c1 411330813 XQZOUGRDHCSOPE-AWEZNQCLSA-N 304.438 2.001 0 50 DEAA CC[C@H](NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1)c1cccs1 252479564 BHPXKSAAZVSEKX-IHRRRGAJSA-N 323.462 2.314 0 50 DEAA C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1cnc(C(C)(C)C)nc1 158645297 VYUOKUTXMLNUOH-UZJPJQLHSA-N 312.439 2.005 0 50 DEAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccoc2C)C1 378554747 YWTUNAJNZHCTQA-LBPRGKRZSA-N 316.361 2.289 0 50 DEAA O=c1cc(C(F)(F)F)c(Br)cn1CCCO 585118364 LSFUUDYCQAFLOE-UHFFFAOYSA-N 300.074 2.012 0 50 DEAA O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cnoc1 931345172 DQSUXDIFYLHSOG-UHFFFAOYSA-N 314.267 2.407 0 50 DEAA Cc1cccc([C@@H](C)NC(=O)C[C@@]2(O)CCCN(C)C2)c1C 863981878 QKSHAAXAQIQOQY-QAPCUYQASA-N 304.434 2.327 0 50 DEAA COC[C@@H](NC(=O)N(C)Cc1ccccn1)c1ccccn1 1875302105 ZZFXVOPWAFFPRU-OAHLLOKOSA-N 300.362 2.006 0 50 DEAA COc1ccc(NS(=O)(=O)c2cccc3ccncc23)cn1 1875316917 IQDUFWJBDQOWPQ-UHFFFAOYSA-N 315.354 2.439 0 50 DEAA COc1ccccc1CCC(=O)N[C@@H](C(=O)O)c1cscn1 1875310771 BXOWKZUWKSIUAD-CQSZACIVSA-N 320.370 2.026 0 50 DEAA NCc1cncc(C(=O)Nc2ccnn2Cc2ccccc2)c1 1875359078 SZQJQLJUIHWVDK-UHFFFAOYSA-N 307.357 2.037 0 50 DEAA Cc1cc(F)ccc1N1CCC[C@H](n2cc([C@H](C)O)nn2)C1=O 881303171 VIWWWUCREJUZQN-NHYWBVRUSA-N 318.352 2.147 0 50 DEAA CCOc1cccc(CC(=O)N2CC[C@@H](c3nccs3)C2)n1 881705554 SBXDNRIENKTNTM-GFCCVEGCSA-N 317.414 2.495 0 50 DEAA COC[C@H]1COCCN1C(=O)c1nsc2ccc(C)cc12 886861099 QUGHMEYSISBZGV-NSHDSACASA-N 306.387 2.092 0 50 DEAA COCCc1nsc(N2CCC[C@H]2c2nc(C)c(C)[nH]2)n1 895193485 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DEAA COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(OC)c1 4685341 NEBRIEWCWKIVOR-UHFFFAOYSA-N 315.325 2.363 0 50 DEAA CCOc1ccc(N2C[C@@H](C(=O)N3CCCC3)CC2=O)cc1 4943336 SVQXWPZXXGHHBV-ZDUSSCGKSA-N 302.374 2.061 0 50 DEAA CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1 8477081 UZFNCFAORLQMHS-UHFFFAOYSA-N 324.446 2.304 0 50 DEAA COc1cnc(NC(=O)NCc2nc(C3CC3)cs2)cn1 225851200 XENKPAIQHLNYRY-UHFFFAOYSA-N 305.363 2.141 0 50 DEAA C[C@@H]1CCCC[C@H]1OCC(=O)NCc1nnc(S)n1C1CC1 112904079 DFAFXBNFBRFFEX-ZYHUDNBSSA-N 324.450 2.113 0 50 DEAA COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1 100172008 KLUOKEFZKFKDQD-LWWSYDQCSA-N 311.337 2.175 0 50 DEAA COC(=O)c1cccc(C(=O)N(C)CCN2CCC(C)CC2)c1 20539418 RPNOGUSEJNNGCB-UHFFFAOYSA-N 318.417 2.277 0 50 DEAA CCn1c([C@@H]2CCCN(c3ccc(Cl)cn3)C2)nn(C)c1=O 67909032 QFCQKFUJQQOVKU-LLVKDONJSA-N 321.812 2.034 0 50 DEAA O=C([C@@H]1CCOC1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 67805536 DPBRDXDQAKNBAC-YMVOSSCXSA-N 318.461 2.136 0 50 DEAA CN1C(=O)[C@@H](O)N=C(c2ccccc2)c2cc(Cl)ccc21 896634 SEQDDYPDSLOBDC-OAHLLOKOSA-N 300.745 2.472 0 50 DEAA biogenic,fda CC(C)(CNC(=O)N1CCC[C@H]1CCO)Oc1ccccc1 430373429 FHDBTWWWXSGFTM-AWEZNQCLSA-N 306.406 2.400 0 50 DEAA CN(C[C@H]1CCc2nccn2C1)C(=O)Cc1ccccc1F 328631033 QMFJDIQGDZSWGU-CYBMUJFWSA-N 301.365 2.286 0 50 DEAA Cc1nnc(CN(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)o1 328629415 IEDWMFKLFQIZQQ-STQMWFEESA-N 324.425 2.484 0 50 DEAA CCc1ccc(C(=O)NCc2csc(-c3cnccn3)n2)[nH]1 219527859 MPOANBBGRPZTDD-UHFFFAOYSA-N 313.386 2.421 0 50 DEAA C[C@H]1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C[C@H](C)N1 154289287 BIGLBOZLNAAPCZ-STQMWFEESA-N 311.385 2.068 0 50 DEAA CC1(C)CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@@]2(CCOC2)O1 366527592 YBTNJLSMDASVFM-QGZVFWFLSA-N 321.421 2.117 0 50 DEAA CN(Cc1ccc2nonc2c1)[C@@H]1CCOC2(CCOCC2)C1 77555136 PTZWNBWAEKQUEG-CQSZACIVSA-N 317.389 2.383 0 50 DEAA O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 333090203 OBMSQWLXDPZIGA-LBKYZSNHSA-N 307.434 2.107 0 50 DEAA CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@](C)(C(=O)O)C1 236889882 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O=C(C[C@H](O)c1ccc(Cl)cc1)N1CC[C@H](n2cccn2)C1 298344262 SLLDAJFRURUMPL-GJZGRUSLSA-N 319.792 2.434 0 50 DEAA COc1ccccc1CC(=O)N[C@H]1CCO[C@@H]1c1cccnc1 299746607 YLVVDUOZQXAIKU-MAUKXSAKSA-N 312.369 2.279 0 50 DEAA Cc1nccn1CC(=O)N[C@H](CCN(C)C)c1ccccc1 299755032 BWRAIGCAOQJVQH-MRXNPFEDSA-N 300.406 2.001 0 50 DEAA CC(C)(CN1CCCCCC1)CN1CCN2C(=O)OC[C@H]2C1 828322938 RXZVULFIOOVPEN-OAHLLOKOSA-N 309.454 2.025 0 50 DEAA CC(C)c1cc(CN(C)C(=O)CSc2nccn2C)no1 827887422 GFQYSKZHHAAPJK-UHFFFAOYSA-N 308.407 2.282 0 50 DEAA CCOC(=O)[C@H](N[C@@H]1CCC[S@](=O)CC1)c1ccccc1 685942588 XJALMCJPGUWXEX-PZPWOCDFSA-N 309.431 2.182 0 50 DEAA COc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)cn1 952967739 DASXFCWUTUETQF-UHFFFAOYSA-N 313.357 2.353 0 50 DEAA CO[C@H]1COCC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1 1565515407 WAPCRKRJSPAGBR-KBPBESRZSA-N 309.793 2.292 0 50 DEAA CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](OC)c2ccccc2)C1 165028811 KEUFTHNOCWZSQY-GJZGRUSLSA-N 305.374 2.176 0 50 DEAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2ccnn2C)CC1 408474182 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CCCn1ncc(C(=O)N2CCc3occc3[C@H]2C(=O)O)c1C 1615827039 YCOHFCLCHGIMJX-AWEZNQCLSA-N 317.345 2.019 0 50 DEAA Cc1nc2n(c1Br)CCN(Cc1ccnn1C)[C@@H]2C 1616025887 FHRCELVIQVOLKO-SNVBAGLBSA-N 324.226 2.264 0 50 DEAA CCOC[C@@H]1CCN(C(=O)[C@@H]2NCCC[C@@H]2c2ccccc2)C1 1616031411 MUEQEYOLAZKBCL-KBAYOESNSA-N 316.445 2.407 0 50 DEAA COC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(C)c2)C1=O 1137507 KKPNQQUQMTUOCG-KPKJPENVSA-N 321.354 2.213 0 50 DEAA CCC[C@]1(CO)CN(C(=O)/C=C/c2ccccc2)CC[C@H]1O 1529099963 JQCDUFPDRZYCDK-IRZMVBRHSA-N 303.402 2.072 0 50 DEAA C[C@H](NCCNS(C)(=O)=O)c1cccc(Cl)c1Cl 158244015 OVKYVAKOVGDEKB-QMMMGPOBSA-N 311.234 2.193 0 50 DEAA O=C(COc1ccccc1)N1CCN(CCc2ccccc2)CC1 13324172 PJWQQFQILZNHKL-UHFFFAOYSA-N 324.424 2.452 0 50 DEAA CCN1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CCC1=O 14975878 FHAVDQJLKHSYEK-GQCTYLIASA-N 308.328 2.059 0 50 DEAA O=S(=O)(Cc1ccccc1F)Nc1ccc2c(c1)OCO2 16579526 JCOBTODLHDMLCO-UHFFFAOYSA-N 309.318 2.496 0 50 DEAA O=C(Nc1nncs1)C1CCN(C(=O)c2cccs2)CC1 16626247 FXMSCJSGAUJBKE-UHFFFAOYSA-N 322.415 2.091 0 50 DEAA Cn1nccc1CCn1c(-c2ccccc2Cl)noc1=O 1857530112 CKCXUKVTPZEDSS-UHFFFAOYSA-N 304.737 2.133 0 50 DEAA c1cnc2c(-c3nccn3Cc3ccc4c(c3)OCO4)cnn2c1 1857687744 CKDIAGRXRHAGAE-UHFFFAOYSA-N 319.324 2.370 0 50 DEAA C[C@H](OCC(F)(F)F)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237561013 HAYNCEGTOMYULR-UWVGGRQHSA-N 311.300 2.057 0 50 DEAA COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 238286 MSMKGVOKGQWPCH-UHFFFAOYSA-N 307.327 2.194 0 50 DEAA in-vitro CC(C)c1noc([C@H](C)N2CCN(Cc3ccncc3)CC2)n1 130394647 UBUPSXVSBCKUJY-AWEZNQCLSA-N 315.421 2.467 0 50 DEAA Cc1cccc(NCC2CCN(CC(=O)NC(C)(C)C)CC2)n1 157905749 BBWHJKJQSGFDON-UHFFFAOYSA-N 318.465 2.429 0 50 DEAA CCC[C@@H]1CN(C(=O)NCc2ccc(C(=O)O)cc2)CCO1 263470814 LIWXRURFVAUXTG-CQSZACIVSA-N 306.362 2.095 0 50 DEAA CCn1nc(C)cc1C(=O)N1CC[C@@H](C(=O)O)c2ccccc21 391342414 DLZFIPFHHIHKHF-CYBMUJFWSA-N 313.357 2.430 0 50 DEAA CN(C)C(=O)c1c[nH]nc1NCc1ncc(C(C)(C)C)s1 902661397 VYRNYRULRBLJRA-UHFFFAOYSA-N 307.423 2.478 0 50 DEAA CCOc1nnc(CN2CCC[C@H](Cc3nc(C)no3)C2)s1 933579698 LXHZTCPXUDYESH-LLVKDONJSA-N 323.422 2.083 0 50 DEAA CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[C@H](OC)CC1 952847794 DBWBPWCTWYSEQC-RDJZCZTQSA-N 319.449 2.459 0 50 DEAA O=C(Nc1ccc2c(c1)COCC2)C1(O)Cc2ccccc2C1 1875296695 JSCADDYGALFYSG-UHFFFAOYSA-N 309.365 2.228 0 50 DEAA O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)NC1(c2ncc[nH]2)CC1 1875396267 AEFVZTQYCLPFJE-UWVGGRQHSA-N 317.311 2.405 0 50 DEAA Cc1cc(N2CCC[C@@H](Nc3nccn4ccnc34)C2)nc(C)n1 892359319 LFTGFKNGFICHSE-CQSZACIVSA-N 323.404 2.217 0 50 DEAA COC[C@@H](Nc1nc2ccccc2n2nnnc12)c1ccc(C)o1 892781589 BKGWMGREZAUTEW-GFCCVEGCSA-N 324.344 2.374 0 50 DEAA Nc1nc2n(c1C(=O)c1ccc(Br)cc1)CCC2 6668601 IYDHOXIKXOTFCY-UHFFFAOYSA-N 306.163 2.405 0 50 DEAA Cc1nc(C2CN(Cc3cnc(C)n3-c3ccccc3)C2)no1 2325775185 IBRPDAWHNOFHRD-UHFFFAOYSA-N 309.373 2.472 0 50 DEAA O=c1c2ccncc2ncn1Cc1csc([C@H]2CCCO2)n1 126501560 DLSNYAGAYQHCCX-CYBMUJFWSA-N 314.370 2.148 0 50 DEAA CC[C@]1(O)CCC[C@H]2CN(C(=O)CCc3cccnc3)C[C@H]21 2356147742 MQHVZKSXBBRPBJ-JZXOWHBKSA-N 302.418 2.414 0 50 DEAA 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2.452 0 50 DEAA COc1ccccc1C[C@H](C)N[C@H]1CCO[C@@H]1c1nccn1C 275484107 IPWZYDUEWJKQTO-QRTARXTBSA-N 315.417 2.480 0 50 DEAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1ccnc(C)c1 276035529 RJRFXINTWSMGNV-KBPBESRZSA-N 315.377 2.258 0 50 DEAA O=C1CC[C@@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CN1 170655807 QDIKPPULOZIXLM-CQSZACIVSA-N 318.804 2.482 0 50 DEAA O=C(C=C(C1CC1)C1CC1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 583620412 GNYWECBNLFHMND-OIISXLGYSA-N 305.418 2.121 0 50 DEAA Cc1cccc2c1C[C@@H](C(=O)N1CC[C@H](c3cnn(C)c3)C1)N2 638121814 MTDUNMKZILPRBF-GUYCJALGSA-N 310.401 2.081 0 50 DEAA C[C@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)[C@H](C(N)=O)C1 188611554 PGNFCEGUYAXMDU-MADCSZMMSA-N 316.735 2.344 0 50 DEAA CO[C@@H]1CN[C@@H](C(=O)N[C@H]2CCCOc3c(Cl)cccc32)C1 189324343 KFSSVVHTJQMHCX-LEWSCRJBSA-N 324.808 2.047 0 50 DEAA COc1cc(S(=O)(=O)NCCc2ccc(C)nc2)ccc1F 190645364 APFFAGDRWBUGKX-UHFFFAOYSA-N 324.377 2.059 0 50 DEAA Cc1nc(CN2CCC[C@H]2c2ccc(N(C)C)nn2)oc1C 643730392 UREMLTCOWNLMSA-AWEZNQCLSA-N 301.394 2.485 0 50 DEAA Cc1ccccc1[C@@H]1CN(C(=O)CCc2ncccn2)CCO1 580807785 ULDHDLVBKSARAR-INIZCTEOSA-N 311.385 2.318 0 50 DEAA CC(C)c1ocnc1C(=O)N[C@@H]1CCN(c2ncccc2F)C1 755578982 RQZLFNXNLXYUTJ-LLVKDONJSA-N 318.352 2.341 0 50 DEAA Cn1ccc(-c2noc([C@@H]3CSCN3C(=O)C(C)(C)C)n2)n1 1616037552 MPXAODVZRRCZOO-JTQLQIEISA-N 321.406 2.090 0 50 DEAA COc1cccc(CN2C[C@H](Cc3cc(C)no3)[C@@H](O)C2)c1 1616081312 XHMJNXUPYUHRRX-YOEHRIQHSA-N 302.374 2.027 0 50 DEAA C=CC(=O)Nc1ccc(C(=O)N[C@]2(C)CC(C)(C)OC2=O)cc1 1628337232 LKXQOMOUEXQBSR-QGZVFWFLSA-N 316.357 2.025 0 50 DEAA O=C1C(=O)N(CN2CC=CCC2)c2ccc(Br)cc21 19339772 TYFLGIVVTSAKJX-UHFFFAOYSA-N 321.174 2.198 0 50 DEAA COCCN1C[C@H](CNc2ncc(Cl)cc2Cl)CC1=O 1506407960 ZONZCFGVHOYQSH-VIFPVBQESA-N 318.204 2.295 0 50 DEAA Cc1cc(NC(=O)[C@H]2CCCN(C)C2)cc2sc(N)nc12 1506396501 UPWFXKXCQPMCLQ-JTQLQIEISA-N 304.419 2.467 0 50 DEAA O[C@@H]1CCCN(c2ccnc(NC3Cc4ccccc4C3)n2)C1 1529168188 YVHSEZMBJAEIEK-MRXNPFEDSA-N 310.401 2.017 0 50 DEAA O=C(C1CCC1)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529161230 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50 DEAA NC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 237958786 QUMMOXHOKQLJHH-CYBMUJFWSA-N 302.353 2.169 0 50 DEAA C/C=C/CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1c(C)noc1C 248223342 IKJKMMJGRONVKG-YJQVQVLHSA-N 303.406 2.290 0 50 DEAA CN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C(=O)c1ccco1 671514631 GZBAGZVVFPQPLI-XJKSGUPXSA-N 316.405 2.168 0 50 DEAA COCC1(CNC(=O)NCc2nnc(C(C)C)s2)CCC1 252480939 CGNKADTUIDPBJF-UHFFFAOYSA-N 312.439 2.277 0 50 DEAA CS(=O)(=O)N[C@@H](Cc1nccn1C(F)F)c1ccccc1 583652235 ZPXALDKMCOPHGG-NSHDSACASA-N 315.345 2.111 0 50 DEAA Cc1nc(C)c(CN2CCOc3ccccc3[C@H]2C(=O)O)o1 903928737 PZEPLTBEVCKRRQ-HNNXBMFYSA-N 302.330 2.312 0 50 DEAA Cc1cc(C)n(CCCC(=O)N2CCC[C@@H](n3ccnc3)C2)n1 931886501 MFJXVTMQAPQDSX-MRXNPFEDSA-N 315.421 2.340 0 50 DEAA C=C(OC)C(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 952894938 VHHCRCRUHGBVJR-ZDUSSCGKSA-N 321.446 2.116 0 50 DEAA CCn1nc(C)cc1C(=O)NCc1cccc2nsnc12 952992572 OSMHZZPHIDUQMU-UHFFFAOYSA-N 301.375 2.146 0 50 DEAA Cn1ncc2c(NC(=O)c3cc(O)nc(C4CC4)n3)cccc21 1875266923 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318.417 2.369 0 50 DEAA C[C@H](COc1ccc(F)cc1F)NC(=O)[C@H]1CCN(C)[C@@H]1C 242155983 WUWIMNVRUVOQJR-WZRBSPASSA-N 312.360 2.189 0 50 DEAA COC(=O)C1(C(=O)NC[C@H](C)c2nc3ccccc3s2)CC1 134845340 RVODNNAMOUTFBM-JTQLQIEISA-N 318.398 2.469 0 50 DEAA CC(=O)Nc1nc(C(=O)N2CCC(OCC3CC3)CC2)cs1 371791374 WZKMNHXAOXGBBA-UHFFFAOYSA-N 323.418 2.133 0 50 DEAA NC(=O)COc1ccccc1C(=O)N[C@H]1C[C@H](c2ccccc2)C1 262835993 SJDGSALYCQVKOO-SHTZXODSSA-N 324.380 2.227 0 50 DEAA CC(C)(C)C(=O)N1CCC(CN2CCCC[C@]2(C)C(N)=O)CC1 162862097 LMURDAXWRFYRPI-GOSISDBHSA-N 323.481 2.001 0 50 DEAA C=CC(=O)N(CC)CC(=O)N1CC[C@H](c2ccc(OC)cc2)C1 900477036 WDEBMZMZKXWYAU-HNNXBMFYSA-N 316.401 2.046 0 50 DEAA Cc1cc(C)n2ncc(-c3noc([C@@H]4C[C@H]4c4cnc[nH]4)n3)c2n1 901922564 UYZQDUGJGXJUTQ-GHMZBOCLSA-N 321.344 2.390 0 50 DEAA Cc1cc(C)nc(CN2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)c1 903700294 ALUOZNLRSUGHCB-VXGBXAGGSA-N 302.296 2.393 0 50 DEAA Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2nc[nH]n2)c(Cl)cc1F 952888006 BFZAOBIMDAAINK-NWDGAFQWSA-N 324.743 2.166 0 50 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2.484 0 50 DEAA CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC/C=C/c1ccccc1 252517973 WHJLGNFFUYUWGO-NGXUEJOTSA-N 322.474 2.350 0 50 DEAA Cc1ccc2nc(CN(C)c3nc(C)nc4c3cnn4C)[nH]c2c1 72163500 TXQNUGIGVBTYAS-UHFFFAOYSA-N 321.388 2.493 0 50 DEAA CCOCC[C@H](O)CN1CCC(c2ccccc2CO)CC1 365190153 BOKCZXONOIOXBY-KRWDZBQOSA-N 307.434 2.146 0 50 DEAA CCc1nc(C)cc(N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)n1 367327337 QHLCZGVWNCMLBU-GJZGRUSLSA-N 315.421 2.173 0 50 DEAA CC(C)Cc1noc(-c2ccc(N3CCC[C@@H](O)C3)nc2)n1 72429243 WERVPSQMEVATIX-CYBMUJFWSA-N 302.378 2.291 0 50 DEAA Cc1n[nH]c(C)c1CCCN(C)CC(C)(C)N1CCOCC1 215782508 YUFCXKIURMWWTL-UHFFFAOYSA-N 308.470 2.002 0 50 DEAA COC[C@@]1(C(=O)OC(C)(C)C)CCCN1C(=O)c1cccnc1 600132815 OVWDFZMKZFLERM-QGZVFWFLSA-N 320.389 2.045 0 50 DEAA Cc1ccc(F)c(C(=O)N2CCC(N(C)C[C@@H](C)O)CC2)c1 444386964 WGZPWZBHDWTPNT-CYBMUJFWSA-N 308.397 2.051 0 50 DEAA Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1csc(CN)n1 237529393 ONUTXNCTOXFUTC-JTQLQIEISA-N 303.387 2.338 0 50 DEAA Cc1oc(-c2ccsc2)nc1CC(=O)N[C@](C)(CN)C1CC1 237674447 QWTAIFVRDOZFEN-MRXNPFEDSA-N 319.430 2.498 0 50 DEAA Cc1c(F)cccc1C(=O)N1CCN(CC(C)C)[C@H](CCO)C1 219682738 ZCEMUVRBYUAJBZ-OAHLLOKOSA-N 322.424 2.299 0 50 DEAA Cc1cc(C(=O)NC2CCN(C(=O)N3CCCC3)CC2)c(C)o1 223845021 MZTAFNCXNAOPBD-UHFFFAOYSA-N 319.405 2.306 0 50 DEAA C[C@@H]1CN(c2nccc(Oc3ccccc3)n2)CC[S@](=O)C1 241121877 JEMWBKMXEONOEO-DMZKTXOQSA-N 317.414 2.474 0 50 DEAA CC(C)[C@H](CNC(=O)N1CCC(C(=O)O)CC1)c1cccnc1 263291263 VIPVUHOEBCUYLE-HNNXBMFYSA-N 319.405 2.327 0 50 DEAA Cc1noc(-c2ccccc2C(=O)N(C)[C@@H]2CCC[C@H]2O)n1 286415204 OVZCQSZNUQRZIL-ZIAGYGMSSA-N 301.346 2.030 0 50 DEAA C[C@@H]1CN(C(=O)c2ccc(-c3cnc(O)nc3)cc2)CCCO1 426552062 UADDKAVZYWRPRK-GFCCVEGCSA-N 313.357 2.100 0 50 DEAA COc1cccc(CCNC(=O)N2CCC[C@H](N(C)C)CC2)c1 426386880 JWDMPAPEEUIMKB-INIZCTEOSA-N 319.449 2.363 0 50 DEAA Cc1cc(C)c(C(=O)N[C@H](C)c2cn3ccsc3n2)c(=O)[nH]1 91434331 QACSNFJPXTWZTM-SNVBAGLBSA-N 316.386 2.192 0 50 DEAA O=C(NCCc1ccncc1)[C@@H]1CCCN(Cc2ccco2)C1 95367397 JXYCPMANACIQRK-MRXNPFEDSA-N 313.401 2.246 0 50 DEAA C[C@@H]1CN(c2nc3c(cc2C(=O)O)CCC3)C[C@@]1(O)C1CCC1 91663714 OJGAFWXJPDERPO-ZMZPIMSZSA-N 316.401 2.256 0 50 DEAA COc1cccc(NC(=O)NCCc2nc(C)cc(C)n2)c1 95529099 XBLZXZDHQDEJSD-UHFFFAOYSA-N 300.362 2.466 0 50 DEAA O=C1CC[C@@]2(CCOC2)CN1CCc1nc2c(s1)CCC2 91986092 AIODJOQNWGQDOT-MRXNPFEDSA-N 306.431 2.203 0 50 DEAA CN(CCC[C@@H]1CCCO1)CC(=O)Nc1cccc(C(=O)O)c1 241081856 YRGTXXDFZPTENI-OAHLLOKOSA-N 320.389 2.214 0 50 DEAA COc1ccc2c(c1)CN(C(=O)NCc1cnn(C)c1C)CC2 179224716 NIVJQUAAFPLRLJ-UHFFFAOYSA-N 314.389 2.005 0 50 DEAA CC(=O)c1cc([C@@H]2OCc3cnc(C)c(O)c32)c(O)cc1O 253411310 OLPSMOAYGQGICD-INIZCTEOSA-N 301.298 2.329 0 50 DEAA biogenic CCC1(O)CN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 294166558 INRYTXYLFWLSDX-LBPRGKRZSA-N 316.323 2.326 0 50 DEAA O=C(CCCc1nc(O)c2ccccc2n1)NCCn1cccc1 266777343 UIDXOZNXJKNDSC-UHFFFAOYSA-N 324.384 2.276 0 50 DEAA COCCN(Cc1ccc(C)cc1)C(=O)N[C@H]1CCCN(C)C1 534585869 KZKQZZSQWMGDTO-KRWDZBQOSA-N 319.449 2.247 0 50 DEAA O=C(NCC[C@@H]1CCCOC1)c1cc(-c2ccncc2)[nH]n1 534644054 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Cc1nscc1C(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1 275224921 ADPNJTBGRXZDDJ-NSHDSACASA-N 322.390 2.172 0 50 DEAA Cn1cc([C@H]2OCCC[C@@H]2NCc2cccc3c2OCO3)cn1 275606939 QSPVXBNFMACFKO-GOEBONIOSA-N 315.373 2.159 0 50 DEAA O=C(NC[C@H]1CSCCN1Cc1ccccc1)c1ccc[nH]1 277476300 ZOMXZXDJIKCENA-HNNXBMFYSA-N 315.442 2.362 0 50 DEAA Cc1cc(C(=O)O[C@@H](C)c2cn(-c3ccccc3)nn2)ncn1 170600311 KTFOSCXRPHPGLS-LBPRGKRZSA-N 309.329 2.284 0 50 DEAA Cc1cc(CC(=O)Nc2ccc3nnc(C4CCC4)n3c2)n[nH]1 188136568 FDWCSWGBNFSUMQ-UHFFFAOYSA-N 310.361 2.210 0 50 DEAA CCc1nc([C@@H](C)N2Cc3ccccc3[C@@H](C(=O)O)C2)n[nH]1 662226755 PLBQDANXQLEZRD-MFKMUULPSA-N 300.362 2.112 0 50 DEAA C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)CCCCN(C)C 585115551 GJOABNVZBGOOMU-ZDUSSCGKSA-N 316.442 2.490 0 50 DEAA O=C(CN[C@H]1CCC[C@H]1Cc1ccccc1)NC1CCOCC1 191363384 OCHXTYQYXXLUQJ-WMZOPIPTSA-N 316.445 2.283 0 50 DEAA Cc1nccnc1C(=O)Nc1cc(F)cc(N2CCOCC2)c1 667675181 AELFUVODKXEYCN-UHFFFAOYSA-N 316.336 2.013 0 50 DEAA C[C@@H](CC1(O)CCOCC1)N[C@H]1CCN(Cc2ccccc2)C1 1615550161 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C[C@@H]1CCCN(CC(=O)N2CCC(c3ccnc(O)c3)CC2)C1 1772814927 VKAYCCWDANVVGZ-CQSZACIVSA-N 317.433 2.225 0 50 DEAA CCSc1nnc([C@@H](C)NC(=O)c2ccccc2OC)n1C 12026250 WJYPXIMYERABAS-SNVBAGLBSA-N 320.418 2.427 0 50 DEAA C[Si](C)(C)c1ccc([Si](C)(C)C)c2c1N1CCN2CC1 169793676 MTCRKFYIJNUFQG-UHFFFAOYSA-N 304.586 2.417 0 50 DEAA Cc1cc2c(cn1)CN(C(=O)[C@H]1CC(=O)N(C)c3ccccc31)C2 1857676604 JKPBJQDKTOJWPC-INIZCTEOSA-N 321.380 2.383 0 50 DEAA Cc1ccc(C2(O)CCN(c3nc(C)nc4cc[nH]c34)CC2)nc1 1857692039 LQBHMRKSHGYRTR-UHFFFAOYSA-N 323.400 2.458 0 50 DEAA CN1CCN(C(=O)CC2=CCCCC2)C[C@H]1c1nccn1C 328618369 DRRRWTMDKQTYIS-HNNXBMFYSA-N 302.422 2.126 0 50 DEAA CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)O)ccc2NC1=O 675050501 WFLUUWRASKUXOU-LBPRGKRZSA-N 320.345 2.163 0 50 DEAA CO[C@H](C(=O)N[C@H]1CCCN(c2ccccc2F)C1)C1CC1 253421393 VMXYVUXYIRXSDW-BBRMVZONSA-N 306.381 2.336 0 50 DEAA O=C(NC1(C(=O)O)CCOCC1)c1cc2cc(F)ccc2s1 262326215 RTXBYKNLEPPBAG-UHFFFAOYSA-N 323.345 2.404 0 50 DEAA CC(C)c1nsc(CN2CCC[C@@H](Cn3cncn3)C2)n1 929647569 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COc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 223699 OLBJIULZJKWFBM-UHFFFAOYSA-N 323.352 2.123 0 50 DEAA C[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1 360021 XSBMSYMKQUORSQ-ZDUSSCGKSA-N 307.357 2.218 0 50 DEAA COc1ccccc1OCC(=O)NCc1ccc2c(c1)OCO2 366934 YGJGRVCVRXZTCQ-UHFFFAOYSA-N 315.325 2.119 0 50 DEAA O=C(CSc1nc2cc(Cl)ccc2o1)N1CCOCC1 617479 PKTGKLOKBFPMMF-UHFFFAOYSA-N 312.778 2.432 0 50 DEAA aggregator CC(=O)NC(=S)Nc1ccc(I)cc1 615324 AJQKIFHIPADKKG-UHFFFAOYSA-N 320.155 2.124 0 50 DEAA CCc1sc(C(=O)Nn2cnnc2)cc1Br 1054885 ZLDHQJGGEODTHB-UHFFFAOYSA-N 301.169 2.048 0 50 DEAA CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(F)c1)CC(=O)N2 4944424 AUFQVGPRSTZMRN-SNVBAGLBSA-N 319.361 2.495 0 50 DEAA CCOC(=O)C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 6701812 SXRLNIOMFITGNN-UHFFFAOYSA-N 319.401 2.430 0 50 DEAA CS[C@@H](C(=O)N1CSC[C@H]1C(=O)N(C)C)c1ccccc1 415152109 BIKXALCTBZJHDG-QWHCGFSZSA-N 324.471 2.080 0 50 DEAA Cc1nc(C(=O)NCCC2=CSC3=NCCCN23)cs1 102286640 MDPWEIRBTFSYEA-UHFFFAOYSA-N 308.432 2.221 0 50 DEAA 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0 50 DEAA Cc1noc(CCCN2CCn3c(nnc3-c3ccccc3)C2)n1 357700981 AKGKCGODKRTITG-UHFFFAOYSA-N 324.388 2.085 0 50 DEAA CCc1nnc(CN(C)c2cc(C(C)C)nc3ccnn23)o1 72154918 AYKBFBZGHYMOEV-UHFFFAOYSA-N 300.366 2.435 0 50 DEAA Nc1nc(S[C@H](C(=O)NC2CCCC2)c2ccccc2)n[nH]1 36235229 MXMVWAXGSJRBLC-LBPRGKRZSA-N 317.418 2.279 0 50 DEAA C[C@@H](C[S@@](C)=O)N(C)C(=O)Nc1ccn(-c2ccccc2)n1 154057440 UVEXBSSORQVQEO-YTEVENLXSA-N 320.418 2.103 0 50 DEAA CC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2nccs2)c1=O 328655584 YMQISVQEWRYMFK-PWSUYJOCSA-N 308.407 2.228 0 50 DEAA Cc1nn(C)c(Cl)c1CN[C@H]1CCO[C@@H]1c1cnn(C)c1C 328619312 FSIRXHIABILVPC-UONOGXRCSA-N 323.828 2.044 0 50 DEAA O=C(O)[C@@H]1COCCN1C(=O)C1CCC(c2ccccc2)CC1 262430188 DUFXUKLAHXNGFA-GPANFISMSA-N 317.385 2.272 0 50 DEAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)/C=C/CN(C)C 369655745 PRVVMXNZEXXXGD-YSKGHYERSA-N 307.463 2.448 0 50 DEAA O=C(O)C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCO1 238058893 WUFIGMOAZNAPIU-NSHDSACASA-N 322.748 2.137 0 50 DEAA CC(C)n1cc(CN2CCNC(=O)[C@H]2c2ccc(F)cc2)cn1 215457787 AVYSDTYTEYEHMD-MRXNPFEDSA-N 316.380 2.276 0 50 DEAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)CCc2ccccc2)C1 379265712 JRJMRPCZNREBNK-QWHCGFSZSA-N 300.324 2.500 0 50 DEAA O=C(c1cc(C2CC2)[nH]n1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 282642060 UELYGRXMHYHIKQ-CZUORRHYSA-N 315.348 2.374 0 50 DEAA CN(C(=O)CCc1cscn1)[C@H](Cc1ccccc1)C(=O)O 263459821 PRZBSMBXGCGYRZ-CQSZACIVSA-N 318.398 2.230 0 50 DEAA CCn1c(C)ccc(C(=O)N[C@H](C)c2nc(C)cs2)c1=O 426628826 UHGHLAFIBLCSNC-LLVKDONJSA-N 305.403 2.433 0 50 DEAA CC[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1cc(C)cc(F)c1 287474288 JQHXMKDOTMGZEC-OLZOCXBDSA-N 315.366 2.008 0 50 DEAA CN(C)CCN(Cc1ccccc1)C(=O)NCCn1cccc1 84456124 OBOCTVWBRBDTJX-UHFFFAOYSA-N 314.433 2.262 0 50 DEAA Cc1c(NCc2ccccn2)cccc1S(=O)(=O)NC1CC1 285590069 OVPRJQXBHPKWBC-UHFFFAOYSA-N 317.414 2.443 0 50 DEAA CCc1nnc(CN(CC)C(=O)c2nc3ccccn3c2F)o1 91997937 HLHFQPONEQMGJQ-UHFFFAOYSA-N 317.324 2.081 0 50 DEAA CCC[C@H]1CN(c2nc(C)ncc2C)C[C@@H]1NC(=O)CSC 92096892 KIFFMTDKVUNBQB-KBPBESRZSA-N 322.478 2.178 0 50 DEAA COc1ccccc1OC1CN(C(=O)[C@H](O)C2CCCCC2)C1 95372218 TWHNYRAJHVHOJR-QGZVFWFLSA-N 319.401 2.226 0 50 DEAA CN(Cc1ccoc1)C(=O)c1cnc(-c2ccccc2)[nH]c1=O 92028770 ONFBLJOHBGFQGR-UHFFFAOYSA-N 309.325 2.302 0 50 DEAA O=C(NC[C@@H]1CCCN1)c1csc(Cc2ccccc2F)n1 178722681 XFSYZHJRJIOXKV-LBPRGKRZSA-N 319.405 2.355 0 50 DEAA Cc1cnc(N)nc1N[C@H]1CCCN(C(=O)c2cccs2)C1 91818664 LJZBAZTUYWBDAG-NSHDSACASA-N 317.418 2.145 0 50 DEAA CC[C@@H](C)[C@@H](CO)NC(=O)c1cccc2c1ccn2CCOC 252502649 USJPTBCPEMDHEI-CZUORRHYSA-N 318.417 2.425 0 50 DEAA Cc1cc(C[C@@H](C)NC(=O)N(C)C2Cc3ccccc3C2)n[nH]1 269215247 BVWMMOOMDLJFIJ-GFCCVEGCSA-N 312.417 2.458 0 50 DEAA CC(=O)N[C@H]1CCN(C(=O)NCCCc2ccccc2Cl)C1 534590877 LQZHHHQICAVTOT-AWEZNQCLSA-N 323.824 2.193 0 50 DEAA O=C(NC[C@@H]1COCCO1)c1cccc(-c2ccncc2F)c1 299793896 IYQWZPKAJMEORE-CQSZACIVSA-N 316.332 2.033 0 50 DEAA O=C(NC[C@H]1CCN(c2ccccc2F)C1)C1CCOCC1 293202068 INMBKXZUDMAPKR-CYBMUJFWSA-N 306.381 2.195 0 50 DEAA Cc1nn(C)c(NC(=O)N(C)CCN(C)C)c1-c1ccccc1 299788340 QRBPRZHAKPKTPS-UHFFFAOYSA-N 315.421 2.421 0 50 DEAA Cc1ccc([C@@]2(C(=O)N(CCO)CCN(C)C)CC2(C)C)cc1 299773605 DLNKAJNJPTWQGA-LJQANCHMSA-N 318.461 2.045 0 50 DEAA C=CC(=O)N(C)CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 685940206 AIWOCAFPKRDFLP-UHFFFAOYSA-N 311.385 2.005 0 50 DEAA CCc1ccc(CC(=O)N[C@H](c2nc(C)no2)C(C)C)nc1 1420805561 NXQDGCBTEWYTDL-HNNXBMFYSA-N 302.378 2.391 0 50 DEAA Cc1nc(-c2ccc(NC(=O)c3nn(C)cc3Cl)cc2)n[nH]1 952978387 ZGGOXMAHNWTBMP-UHFFFAOYSA-N 316.752 2.419 0 50 DEAA CNC(=O)CCC(C)(C)NC(=O)[C@H](C)n1cnc2ccccc21 952860242 IYXSBIYKPGVSCI-LBPRGKRZSA-N 316.405 2.018 0 50 DEAA COC(=O)C(C)(C)CS(=O)(=O)N1C[C@@H](C)CCC[C@H]1C 408178045 OOSAKZDAQWKOKA-NWDGAFQWSA-N 305.440 2.026 0 50 DEAA CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)/C=C/CN(C)C 268640519 NRVSHVVLVPHTDR-RTRPANQVSA-N 322.424 2.462 0 50 DEAA CNC(=O)c1ccn([C@H]2CCCN(C[C@H]3CC=CCC3)C2)n1 275359284 AWIXQVJRHNLQHF-GJZGRUSLSA-N 302.422 2.236 0 50 DEAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc2c(s1)CCC2 275321474 JCKOTLWRIZQGPB-FZMZJTMJSA-N 317.414 2.230 0 50 DEAA CCS(=O)(=O)c1nnc2c(Cl)cc(C(F)(F)F)cn12 170002980 NMOSIHILDMJZSB-UHFFFAOYSA-N 313.688 2.195 0 50 DEAA Cc1ncc(-c2ccc(NC(=O)[C@H](C)CS(C)(=O)=O)cc2)o1 170649370 HRUYXPAKHCHIFN-SNVBAGLBSA-N 322.386 2.269 0 50 DEAA Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)O 704306595 KYTVISSNWZUDKE-NSHDSACASA-N 309.366 2.462 0 50 DEAA FC1(F)C[C@H]2CN(Cc3nccn3-c3ccccc3)CCN2C1 645936537 CUTSUVBFDUGDRT-HNNXBMFYSA-N 318.371 2.398 0 50 DEAA CC[C@H](NC1CCN([C@@H](C)c2ccncc2)CC1)C(=O)OC 192859935 GMKOHEBGLQDERU-BBRMVZONSA-N 305.422 2.148 0 50 DEAA C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NCCC1OCCO1 195568954 IQKZBDXEEZCGAL-WBVHZDCISA-N 304.434 2.250 0 50 DEAA CCOc1cc(CNc2ncc(OC)cn2)c2c(c1)C[C@@H](C)O2 585085094 CEFKBCFQOYXBAX-LLVKDONJSA-N 315.373 2.819 0 50 DEAA CC(C)n1cnc(S(=O)(=O)N(C)c2cccc(Cl)n2)c1 585128977 SMEJOMUENBWRGP-UHFFFAOYSA-N 314.798 2.338 0 50 DEAA COc1nscc1CN1C(=O)N[C@@](C)(c2cccs2)C1=O 1643591566 LPOZVUPXDPXUKL-ZDUSSCGKSA-N 323.399 2.180 0 50 DEAA CS(=O)(=O)c1ccc(NCc2cc(C(F)F)on2)nc1 1650087448 RLNGTTWTUAODHH-UHFFFAOYSA-N 303.290 2.023 0 50 DEAA CN(C)C(=O)[C@@H]1CN(c2ccnc3ccc(Cl)cc23)CCO1 1506401728 JUPYIDDSHBLOKU-HNNXBMFYSA-N 319.792 2.182 0 50 DEAA O=C1CC[C@@H]2CN(CCC(F)(F)F)CC[C@@H]2N1CCCCO 215074753 JDERNDPJQRKDDA-OLZOCXBDSA-N 322.371 2.024 0 50 DEAA CC1(C)[C@@H](O)C[C@H]1NC(=O)c1cc(F)ccc1Br 128825013 GYDJUHFHGBJGMS-MNOVXSKESA-N 316.170 2.477 0 50 DEAA Cc1oc2c(c1C(=O)N1CCC[C@@H](C3(O)CC3)C1)C(=O)CCC2 1772815800 XMENJFCLYUDBFF-GFCCVEGCSA-N 317.385 2.484 0 50 DEAA COc1cc(S(=O)(=O)Nc2ccccn2)c(OC)cc1C 11613766 CULMRNUEDXLTRO-UHFFFAOYSA-N 308.359 2.208 0 50 DEAA CSCCNC(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 11840680 PQBIKFOZDILRSX-ZDUSSCGKSA-N 324.421 2.044 0 50 DEAA CC(C)CCC[C@@H]1CN(C(=O)CCN2CCCCO2)CCO1 12458618 AAEISMNSTXFHST-MRXNPFEDSA-N 312.454 2.458 0 50 DEAA Cc1ccnc(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)n1 1857729106 WACWIWDINKWVQP-IAGOWNOFSA-N 310.401 2.047 0 50 DEAA Cn1ccc2cc(-c3nccn3CCN3CCOCC3)ccc21 1857729995 LYUSVZKCGOGJHS-UHFFFAOYSA-N 310.401 2.374 0 50 DEAA Cn1ncc2c1CCCN(C(=O)NC[C@@H]1CCCC1(F)F)C2 334132981 VXCKJTJRDCULDK-LBPRGKRZSA-N 312.364 2.313 0 50 DEAA Cc1nc(N(C)C)nc(-c2ccc([C@H]3CNC(=O)C3)cc2)c1C 1875245261 RQKXLSBVOLLZJT-OAHLLOKOSA-N 310.401 2.430 0 50 DEAA O=C1c2ccccc2C(=O)N1SN1C(=O)c2ccccc2C1=O 396287 QYIWBOWEQBEAGP-UHFFFAOYSA-N 324.317 2.142 0 50 DEAA in-vitro CC(C)(C)OC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 1640076 YGSRAYJBEREVRB-VIFPVBQESA-N 303.355 2.086 0 50 DEAA in-vitro CCN(Cc1ccoc1)C(=O)c1ccn([C@@H]2CCCNC2)n1 629600090 RUBMZWQMIOCKAH-CQSZACIVSA-N 302.378 2.063 0 50 DEAA CC(C)c1noc(CCC(=O)Nc2cccc(C(=O)O)c2)n1 236667527 HTZBZHZCYXOTMO-UHFFFAOYSA-N 303.318 2.463 0 50 DEAA COc1cccc(Cl)c1CNc1ccc2nc(C)nn2n1 343202250 DMOOHFCOMXPXCK-UHFFFAOYSA-N 303.753 2.707 0 50 DEAA O=C(NC[C@H]1Cc2cc(-c3cccnc3)ccc2O1)[C@@H]1CCCO1 15003843 WLMKGOUFWUZVGN-AEFFLSMTSA-N 324.380 2.347 0 50 DEAA COc1ccc(CCCC(=O)N2CCC[C@H](C(=O)O)C2)cc1 136115878 RVTVCBSCUNTYRF-AWEZNQCLSA-N 305.374 2.341 0 50 DEAA CCCn1nnnc1CN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 252474406 CUFRJSIHDZOSOT-CKEIUWERSA-N 315.421 2.434 0 50 DEAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(Cl)cn1)CC2 265965503 JSXGVVKGOYYVCA-ZIAGYGMSSA-N 324.808 2.127 0 50 DEAA C[C@@H]1OCCO[C@@H]1C(=O)N(Cc1ccsc1)c1cccnc1 903052256 IRPGGUPLORGUJC-WFASDCNBSA-N 318.398 2.480 0 50 DEAA Fc1nc(F)c(F)c(N2CCOC[C@H]2[C@H]2CCCO2)c1F 804802495 GVBKCCRXXYPXMV-JGVFFNPUSA-N 306.259 2.022 0 50 DEAA CC1(C)C(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)C1(C)C 910621206 OVDLOYQFNGRVGB-VVHFOWEKSA-N 309.406 2.197 0 50 DEAA O=C(CC1CCCCC1)N[C@H]1CCOC2(CC(C(=O)O)C2)C1 910616886 IYCFMKHFYXPLDO-UUCFBXCCSA-N 309.406 2.485 0 50 DEAA CCc1onc(C)c1NC(=O)N1CC[C@H](c2noc(C)n2)C1 930569080 AEZDBSBORNZORW-JTQLQIEISA-N 305.338 2.258 0 50 DEAA O=C(Cc1cccc(C(F)(F)F)n1)N[C@@H]1CCc2c[nH]nc2C1 934618425 OLBVSHGDQYUEBT-LLVKDONJSA-N 324.306 2.040 0 50 DEAA Nc1cc(=N[C@H]2CCC[C@H](c3ccccc3)C2)nc2nc[nH]n12 1875294588 KFLMNEOWCCYVOF-KBPBESRZSA-N 308.389 2.267 0 50 DEAA C[C@H](CC(=O)Nc1cccc2cnncc12)N1CCCCC1=O 1875390301 SAXQIDZKZOGZSE-GFCCVEGCSA-N 312.373 2.359 0 50 DEAA COCCOc1cccc(C(=O)N2CCN(C3CC3)C[C@@H]2C)c1 888099663 ISDOEHNFTHZUHJ-AWEZNQCLSA-N 318.417 2.021 0 50 DEAA Cc1nc2ccccn2c1CNC(=O)[C@H]1CCC(=O)c2cccn21 890852022 NEEZREJLXGQASH-CQSZACIVSA-N 322.368 2.278 0 50 DEAA CN1CCCN(c2cc(-c3ccccc3)nc3ncnn23)CCC1 1776006482 WMTPGTXNJIRSAB-UHFFFAOYSA-N 322.416 2.323 0 50 DEAA CC(C)(C)n1cnc(C(=O)N2CCC[C@@H]2c2nccs2)n1 1776002434 BHVFDRLRIRMARI-SNVBAGLBSA-N 305.407 2.467 0 50 DEAA NC[C@H]1C[C@H]2C[C@H]1C[C@H]2C(=O)N1Cc2cc(F)c(F)cc2C1 2325778942 WUHCQOWTYNRJME-ICUOPCATSA-N 306.356 2.428 0 50 DEAA O=C1CCN(Cc2cccs2)C(=O)N1Cc1cccnc1O 2325779643 UWENWXMOXNTWTH-UHFFFAOYSA-N 317.370 2.203 0 50 DEAA CC1(C)[C@H](CN)C[C@H]1NC(=O)c1c[nH]nc1-c1cccs1 2325800054 KCEFWUMVXKCVCK-JOYOIKCWSA-N 304.419 2.241 0 50 DEAA COc1cc2c(cc1OC)[C@H](C)N(C(=O)CCC(=O)O)CC2 152635 HBUAYNBDEBEVJW-JTQLQIEISA-N 307.346 2.014 0 50 DEAA biogenic CCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 2996175 YKXOJHDXMXOGIF-UHFFFAOYSA-N 319.382 2.445 0 50 DEAA O=C(c1n[nH]c(=O)c2ccccc12)N1CCc2ccccc2C1 10218408 PFGJQRHPVRWGNY-UHFFFAOYSA-N 305.337 2.122 0 50 DEAA CCOC(=O)c1csc([C@@H]2CCCN2Cc2nc(C)no2)n1 225404803 ZUVKYDBILBKFJA-NSHDSACASA-N 322.390 2.348 0 50 DEAA O=C(c1ccc(Oc2cccnc2)cc1)N1C[C@@H](F)C[C@H]1CO 347442752 WTKNLLBVJTVAGZ-KBPBESRZSA-N 316.332 2.419 0 50 DEAA CCN1CCN(C2CCN(Cc3cc(C(C)C)n[nH]3)CC2)CC1 20601467 BBGQUWLPYIHZHT-UHFFFAOYSA-N 319.497 2.135 0 50 DEAA OC[C@H]1CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 67740848 QFQSHOZWOBDELB-AWEZNQCLSA-N 308.385 2.211 0 50 DEAA COc1ccc(C(N)=O)cc1NC(=O)[C@H](C)Oc1ccccc1 22023138 IORCXVDBOGPMOQ-NSHDSACASA-N 314.341 2.200 0 50 DEAA COc1cc(N[C@@H](C)C(=O)Nc2cc(F)ccc2C)ncn1 65371715 YUPAOASYBGPAAO-JTQLQIEISA-N 304.325 2.372 0 50 DEAA CC(C)CN1C[C@@H](C(=O)Nc2cnc3n2CCCC3)CCC1=O 67935275 UEEUYUOJGIASTR-ZDUSSCGKSA-N 318.421 2.053 0 50 DEAA CS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 331243315 RRZWYNJNBLXPJO-CYBMUJFWSA-N 315.822 2.438 0 50 DEAA Cc1cc(C(F)(F)F)nc(-n2cc(C(=O)c3ccco3)nn2)n1 1384611 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2.207 0 50 DEAA C[C@@H]1CN(C(=O)c2cnc3ccc(F)cc3c2)C[C@H]1C(=O)O 263190629 LEYKAJHOXZHHEI-NOZJJQNGSA-N 302.305 2.167 0 50 DEAA CN1[C@H]2CCC[C@H]1CC(NC(=O)CCc1ccccc1O)C2 174187047 GACPYWJKAGOYSM-HOTGVXAUSA-N 302.418 2.456 0 50 DEAA Cc1cnn(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccccc1 284960689 AMZFZYQZXLOJST-CQSZACIVSA-N 305.403 2.254 0 50 DEAA O=C([C@H]1Cc2ccccc2O1)N1CCC(Oc2cccnc2)CC1 221246258 FSMGAGZZSZBYGG-GOSISDBHSA-N 324.380 2.455 0 50 DEAA CC(C)c1cc(C(N)=O)c(NC(=O)C[C@@H](C)CC(=O)O)s1 17032476 LJDMVHOVIBGAPL-MRVPVSSYSA-N 312.391 2.410 0 50 DEAA Cc1cc2nc(CCC(=O)N[C@@H](C)CC(=O)O)[nH]c2cc1C 426518364 RTCPSORLYNJWOY-NSHDSACASA-N 303.362 2.092 0 50 DEAA CC[C@@H](Cn1ccnc1)NC(=O)N(C)C1Cc2ccccc2C1 426427876 CMXNHSGKLQSCTQ-INIZCTEOSA-N 312.417 2.471 0 50 DEAA Cc1cccc2ncnc(NCCN3CCOC(C)(C)C3)c12 176805985 SSBCWJRHZQRGLV-UHFFFAOYSA-N 300.406 2.461 0 50 DEAA CC(C)c1nccc(C(=O)NCCCOc2cccnc2)n1 426534524 VVJMXUJPGGZPIL-UHFFFAOYSA-N 300.362 2.194 0 50 DEAA CC(C)(C)NC(=O)CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1 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CCCN1CCC(CC(=O)NC[C@H](O)c2cccc(F)c2)CC1 95502231 CUWVHMLQFZJTHL-KRWDZBQOSA-N 322.424 2.487 0 50 DEAA Cc1ccc(N2N=C(C(=O)O)S(=O)(=O)c3ccccc32)cc1 96511527 QWTHEDPMHPCGRX-UHFFFAOYSA-N 316.338 2.319 0 50 DEAA CCn1ncc(C(=O)N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 293247676 FXBRHIDDEAPADB-NHYWBVRUSA-N 318.352 2.039 0 50 DEAA Cn1ccc(NC(=O)CN2CCC3(CCc4ccccc43)CC2)n1 244873266 WMVVRXAAKFSAMZ-UHFFFAOYSA-N 324.428 2.339 0 50 DEAA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)c1ccnc(Cl)c1 293913013 MLNKZNXZNKTNGF-GFCCVEGCSA-N 309.797 2.112 0 50 DEAA O=C(N[C@H](CO)CN1CCCCC1)c1cc(F)cc(Cl)c1 294514743 UFTBJXKVKHZCQU-AWEZNQCLSA-N 314.788 2.056 0 50 DEAA C[C@H]1CCN(C(=O)c2cc[nH]n2)[C@H](CNC(=O)OC(C)(C)C)C1 294705746 KMXAPZLRIBUKLG-RYUDHWBXSA-N 322.409 2.175 0 50 DEAA CCC[C@@H](OC)C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 294831893 AQCBIYWSQVPXSK-GFCCVEGCSA-N 306.341 2.288 0 50 DEAA CC1=C2C[C@H]([C@]3(N)CC4(CC4)NC3=O)[C@H](O)C[C@]2(C)CCC1 253470774 CZASCEJNNSBZGY-JSSFPYSZSA-N 304.434 2.014 0 50 DEAA CCOc1cc(C(=O)N[C@H]2CC=CCC2)ccc1OCC(=O)O 299753477 YIJNPMPICLOVAL-ZDUSSCGKSA-N 319.357 2.387 0 50 DEAA O=C(Nc1cccc(-n2cccn2)c1)c1cc2ncccn2n1 646675290 QIDWBQAPPWEPRD-UHFFFAOYSA-N 304.313 2.167 0 50 DEAA O=C(CCn1cnc2ccccc21)NCc1cnc2ccccn12 827822312 GGGCXXVCKGDAGN-UHFFFAOYSA-N 319.368 2.391 0 50 DEAA NC(=O)[C@@H]1CC=CC[C@H]1NC1CCN(c2ccccc2F)CC1 826846911 JDSHZPYXYLKCMZ-GDBMZVCRSA-N 317.408 2.204 0 50 DEAA O=C(C[C@H]1CCOC1)N1CCN(c2ccc(F)cc2F)CC1 584891131 UUECETYVJFBEQA-GFCCVEGCSA-N 310.344 2.040 0 50 DEAA C[C@H](C(=O)N[C@@H]1CCCCC12OCCO2)c1cccc(O)c1 685943577 XPTLGSILYJGIMK-SWLSCSKDSA-N 305.374 2.298 0 50 DEAA O=C1CCC[C@H](C(=O)Nc2cc(F)c(OC(F)F)cc2F)N1 685940031 WWXFSXFSSRMYSB-MRVPVSSYSA-N 320.242 2.173 0 50 DEAA CCn1ncc(NC(=O)c2c(C)nn3c(C)cc(C)nc23)c1C 874819263 NQBQWWCIZJDOJF-UHFFFAOYSA-N 312.377 2.432 0 50 DEAA CSCC[C@H](N)C(=O)Nc1cc(C(=O)NC(C)C)ccc1C 952988106 NJIWGZCNDQGNRM-ZDUSSCGKSA-N 323.462 2.152 0 50 DEAA OC[C@H]1CCCN1Cc1cn(-c2cc(F)cc(Cl)c2)nn1 899745818 OXBPOVVOYBMYRS-CYBMUJFWSA-N 310.760 2.017 0 50 DEAA O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CC(=O)N(C2CC2)C1 408450722 IKPAVAGDMASUQC-ZJUUUORDSA-N 319.327 2.081 0 50 DEAA C[C@@H](CC(F)F)CS(=O)(=O)NCc1ccc2c(c1)OCO2 1775989635 RCCBPSNOECZQAH-VIFPVBQESA-N 321.345 2.126 0 50 DEAA CC(C)Cn1ccnc1CNC(=O)NC[C@H]1CCC[C@H](C)O1 660733784 FPCFEAGRTLHLLP-UONOGXRCSA-N 308.426 2.296 0 50 DEAA Cc1cc(C)c2c(c1)CN(C(=O)N[C@@H](C)c1nncn1C)CC2 185964141 ZXFKDHYKASJAAK-ZDUSSCGKSA-N 313.405 2.261 0 50 DEAA COC[C@@H](C)c1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)no1 274125935 WVQJBFFPTZRRPC-OCCSQVGLSA-N 315.373 2.336 0 50 DEAA Cc1ccc([C@H](C)NC(=O)c2cn(C)nc2[C@H]2CCOC2)o1 275232664 DGLJNVARDVLAQS-RYUDHWBXSA-N 303.362 2.316 0 50 DEAA Cc1cccc(NC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)n1 275968590 MKFSSWYWXMKMMB-DZGCQCFKSA-N 315.377 2.165 0 50 DEAA CCCCCOCC(=O)N[C@@H](c1csc(C)n1)[C@H](C)O 585127296 WLNZUUDYHVRZOM-IINYFYTJSA-N 300.424 2.196 0 50 DEAA CC(C)[C@@H](N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(F)c1 170073218 AXHDFYHQZWPKKU-BXUZGUMPSA-N 303.374 2.439 0 50 DEAA C[C@H](CNC(=O)c1cnccc1N(C)C)Oc1ccc(F)cc1 170595084 NARMQOPRZOFHGL-GFCCVEGCSA-N 317.364 2.484 0 50 DEAA COC[C@@H]1CN(C(=O)CCc2cccc(F)c2F)C[C@H](C)O1 170603526 WCQNSOLYWRACTM-AAEUAGOBSA-N 313.344 2.160 0 50 DEAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCS(=O)(=O)CC[C@@H]1C 170614079 DPSITDOJHCWCIC-BPUTZDHNSA-N 321.442 2.134 0 50 DEAA Cc1[nH]ccc1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 190656374 QLZAWFQEWFEVNZ-INIZCTEOSA-N 312.417 2.312 0 50 DEAA Cc1cnn(-c2cccc(N3CCC[C@@H](CC(=O)O)C3)n2)c1 1614994247 YUZPNVITODSXEQ-ZDUSSCGKSA-N 300.362 2.267 0 50 DEAA C[C@H](C(=O)O)N1CCO[C@@H](c2ccccc2Br)C1 237444876 HBWAUTZMHGHSNH-BXKDBHETSA-N 314.179 2.296 0 50 DEAA COc1nc(NCc2nc(Cc3cccs3)no2)ncc1F 1772701199 JEQGLEBXXSAMCV-UHFFFAOYSA-N 321.337 2.272 0 50 DEAA CC(C)(CO)CNC(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1 12590771 WKYFZFMVFDEMLD-AWEZNQCLSA-N 324.465 2.083 0 50 DEAA COc1ccc(C[C@@H]2CN(C(=O)c3ocnc3C)CCO2)cc1 12591532 BQURYQOJRPKLLE-OAHLLOKOSA-N 316.357 2.075 0 50 DEAA COc1ccc(OCc2nc(C(=O)N3CCCO3)co2)cc1 12708804 BNBWPQPJKKMZIJ-UHFFFAOYSA-N 304.302 2.040 0 50 DEAA Cc1nc2ccccc2nc1-c1nccn1[C@H]1CC(=O)N(C)C1 1857673322 SVRPJUPIXAOBDV-LBPRGKRZSA-N 307.357 2.205 0 50 DEAA Cc1ccc(C(=O)NC[C@@]2(C)OCCc3sccc32)nn1 412360829 PGPXPAFHXCZZKR-OAHLLOKOSA-N 303.387 2.064 0 50 DEAA NC(=O)c1ccc(CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1 225515460 QKFQLWXDXNKEAE-SJORKVTESA-N 314.360 2.233 0 50 DEAA CC(C)[C@H](NC(=O)C(C)(C)n1cccn1)c1nc(C2CC2)no1 622350305 BUKUMZHDJUGWSF-LBPRGKRZSA-N 317.393 2.392 0 50 DEAA CC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21 119216178 CYVDWAKJENPIHJ-CVEARBPZSA-N 304.365 2.330 0 50 DEAA CN(CCc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@@H]1c1nc[nH]n1 328587146 VPGVCENWEMAAPR-QWHCGFSZSA-N 304.781 2.263 0 50 DEAA Cc1cc(CN2CCN(CC(C)(C)O)CC2)c2ccccc2n1 124461195 MTKZGCFXBYWEHY-UHFFFAOYSA-N 313.445 2.432 0 50 DEAA CC(=O)N1CCC[C@H](C(=O)Nc2ccc(C(F)(F)F)nc2)C1 330512579 SNRXPTJUQDRDIT-JTQLQIEISA-N 315.295 2.297 0 50 DEAA CCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)c(C)cc1C 8714998 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DEAA COc1ccccc1NC(=O)Cn1nnc(-c2cccs2)n1 418255 ULCCZGODSMCJBH-UHFFFAOYSA-N 315.358 2.049 0 50 DEAA NC(=O)c1ccccc1NC(=O)COc1ccccc1Cl 436021 FKMSCQICXAGHMM-UHFFFAOYSA-N 304.733 2.456 0 50 DEAA Cc1nc(N2CCC([C@H](O)c3nccn3C)CC2)nc(C)c1C 2356164312 OEMNWOUBKRCYEY-HNNXBMFYSA-N 315.421 2.085 0 50 DEAA O=C(Nc1cccc(Br)c1)C(=O)NC1CCCC1 2892482 IPGAYYQKKDNGPB-UHFFFAOYSA-N 311.179 2.446 0 50 DEAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1Cl 4542590 JATGSRDAKXDVRB-GFCCVEGCSA-N 310.737 2.150 0 50 DEAA C[C@@H](Cn1cncn1)C(=O)Nc1ccc(Br)cc1 8714369 CHJPEQWKKADNKY-VIFPVBQESA-N 309.167 2.315 0 50 DEAA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)[C@H]1CCCNC1 246887336 VDKBQOBACIXSPZ-OHFALNGGSA-N 302.418 2.363 0 50 DEAA C[C@@](CNC(=O)C1CCC1)(NC(=O)C1CCC1)C(F)(F)F 341761685 CLQBSKGQSJZJNQ-ZDUSSCGKSA-N 306.328 2.140 0 50 DEAA CN(Cc1ccccc1)c1ncccc1CNC(=O)c1ncc[nH]1 67871620 IWDCNFGHPGZOHJ-UHFFFAOYSA-N 321.384 2.371 0 50 DEAA Cc1noc(C)c1CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 245765649 FWETZCKZWGZLHZ-IACUBPJLSA-N 305.378 2.048 0 50 DEAA O=C(O)COc1ccccc1CN1CCC[C@@H](c2ccn[nH]2)C1 67983507 ZYKVKPIDYFWSKS-CYBMUJFWSA-N 315.373 2.253 0 50 DEAA CC(C)[S@@](=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1 136477492 ZPMHYZKKBKPLBH-PEBXRYMYSA-N 323.414 2.282 0 50 DEAA COc1cc(-n2ccnc2-c2ncc[nH]2)cc(OC)c1OC 67869096 PSIWOTNSISHJTQ-UHFFFAOYSA-N 300.318 2.288 0 50 DEAA CN(c1cccc(CCC(=O)O)c1)S(=O)(=O)c1ccoc1 349001483 HOHCXGQCNJLCML-UHFFFAOYSA-N 309.343 2.122 0 50 DEAA CCc1nnc2ccc(N3CCN(Cc4ccccc4)CC3)nn12 61719698 ZIVVJFNOEANRFR-UHFFFAOYSA-N 322.416 2.009 0 50 DEAA CCc1ccc(CN2CCN(c3ncc(Cl)cn3)CC2)nc1 65375806 WVHTUOSVAMFKRR-UHFFFAOYSA-N 317.824 2.410 0 50 DEAA CC[C@H](C)N1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C1=O 488137 OJYCYEBYXSXUJZ-MEDUHNTESA-N 311.385 2.062 0 50 DEAA biogenic CC[C@@H](c1ccccc1)N1CCC[C@@H](CNS(C)(=O)=O)C1 229216276 UZQNSJGOOZGFEN-HOCLYGCPSA-N 310.463 2.399 0 50 DEAA Cc1cc2nc(-c3ccccc3)cc(N3C[C@@H]4CNC[C@@H]4C3)n2n1 72424265 JRWTVYFYCNFFKM-IYBDPMFKSA-N 319.412 2.360 0 50 DEAA O=S(=O)(NCc1cccnc1)c1ccc(-c2ccno2)s1 32498090 XMVXJQIXFSTJAL-UHFFFAOYSA-N 321.383 2.277 0 50 DEAA O=C(c1ccon1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 361083620 IFFAFYDBCHWCQM-OAHLLOKOSA-N 306.749 2.148 0 50 DEAA Cc1cc(C[C@H](C)NC(=O)N2CCOC3(CCCC3)C2)n[nH]1 124337407 OMGUTWKFEXLNBW-LBPRGKRZSA-N 306.410 2.004 0 50 DEAA CC(C)CN1CCN(Cc2ccc(CC(=O)O)cc2)[C@H](C)C1=O 72146193 OXPGXWROIWFORQ-CQSZACIVSA-N 318.417 2.002 0 50 DEAA COc1cc(/C=C/C(=O)N2CCOC[C@@H](C)C2)cc(OC)c1 378259335 LOIUUWLYNRVQQG-IHVVCDCBSA-N 305.374 2.212 0 50 DEAA CC[C@H](C)[C@H](O)C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1 378303373 FQGWLVCNIFNPRD-UHTWSYAYSA-N 307.394 2.408 0 50 DEAA CCc1nc(N[C@@H]2CC(=O)Nc3ccccc32)c2cnn(C)c2n1 72139045 STRYCQNMOHNPPH-CYBMUJFWSA-N 322.372 2.421 0 50 DEAA O=c1c2c3c(sc2ncn1Cc1cccc(F)c1)CNCC3 77471718 RBGQZUZDCNFDRD-UHFFFAOYSA-N 315.373 2.291 0 50 DEAA FC(F)(F)Cn1ccc2c(N3CCOCC3)nc(Cl)nc21 138307776 OVVBXDSPBDQHSQ-UHFFFAOYSA-N 320.702 2.484 0 50 DEAA Cc1nn(CCCNC(=O)[C@@H]2C[C@H]2C)cc1Br 17024886 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1857713541 OXTAPERLMONJHG-HNNXBMFYSA-N 311.385 2.087 0 50 DEAA COc1ccc(-c2nnc(N3CCN(C)C[C@@H]3C)s2)cc1 420600672 MHNWFYUGLGMAME-NSHDSACASA-N 304.419 2.354 0 50 DEAA Cc1noc([C@@H]2CCN(C(=O)c3ncccc3OC(C)C)C2)n1 332098427 XUPCWVTVFOBZBF-GFCCVEGCSA-N 316.361 2.190 0 50 DEAA C1CC1c1nc(-c2noc(C3CCN(C4CC4)CC3)n2)n[nH]1 333045337 BFGDBQFEDXBOGS-UHFFFAOYSA-N 300.366 2.074 0 50 DEAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCCOc1ccc(F)cc1F 237469084 PPQWMLOEYJEYMT-YPMHNXCESA-N 312.360 2.462 0 50 DEAA C[C@H](NC(=O)CN1CCC[C@H]1C(=O)O)c1ccccc1Cl 237626804 ODFFOKWWENGGHO-GWCFXTLKSA-N 310.781 2.066 0 50 DEAA CCc1cnc(N2CCN(C[C@@](C)(O)C(F)(F)F)CC2)s1 337187415 PPXSMXAPHJDSHF-GFCCVEGCSA-N 323.384 2.141 0 50 DEAA COC[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C(C)C)C1 352152151 ALHWWQHKGQRKLS-IRXDYDNUSA-N 320.433 2.311 0 50 DEAA Cc1oc(C(C)C)cc1C(=O)NCCCN1CCN(C)CC1 252496860 PTDMJGKGPLZNPR-UHFFFAOYSA-N 307.438 2.079 0 50 DEAA CCCCCOCC(=O)NCc1nnc2c(Cl)cccn12 585140758 KMHHKHSRNNQDSB-UHFFFAOYSA-N 310.785 2.206 0 50 DEAA CSc1ccc(C)c(C(=O)N2CCC([C@H](F)C(N)=O)CC2)c1 913115888 UMSYMIFTPJGFIW-AWEZNQCLSA-N 324.421 2.393 0 50 DEAA CCn1nc(C(=O)N2CCCCC[C@H]2C(F)(F)F)ccc1=O 904217486 HMZIXWIVILTFFC-NSHDSACASA-N 317.311 2.210 0 50 DEAA O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl 4577785 VHHQGLHTIISQID-GMSGAONNSA-N 320.197 2.143 0 50 DEAA COc1ccc(NC(=O)N2CCC[C@@]23CCCN(C)C3=O)cc1 2100555312 QDLMIJMFPYSREA-QGZVFWFLSA-N 317.389 2.314 0 50 DEAA COCC1(COC)CCN1C(=O)c1ccc2c(c1)[C@H](C)CO2 2325813538 WUFOJZGWZNUCEW-GFCCVEGCSA-N 305.374 2.060 0 50 DEAA CC1=NN(C(=O)CCc2ccccc2)[C@@](O)(c2ccncc2)C1 302616 DSSHOSHLYKWNRQ-SFHVURJKSA-N 309.369 2.468 0 50 DEAA CC(C)c1cc(C(=O)N2CCc3ccccc3CC2)nc(=N)[nH]1 2356153055 OXVWRUQQVPBBAO-UHFFFAOYSA-N 310.401 2.254 0 50 DEAA CN(Cc1ccccc1)C(=O)c1cccc(NS(C)(=O)=O)c1 10370006 JOLNVLACNARDNJ-UHFFFAOYSA-N 318.398 2.330 0 50 DEAA CC(C)C[C@]1(C)NC(=O)N(CC(=O)N2[C@H](C)CCC[C@H]2C)C1=O 248158469 FLBKRIBHFCBROT-XNJGSVPQSA-N 323.437 2.133 0 50 DEAA C[C@@H]1CCCC[C@]12NC(=O)N(C[C@@H](O)c1cccc(F)c1)C2=O 229504721 XTBFFDKQFKYEHR-ZLENFMNRSA-N 320.364 2.360 0 50 DEAA C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)[C@H]1C[C@H]1c1ccccc1 252512384 PZESRZWRHHHQGR-XZDPQHSOSA-N 300.402 2.163 0 50 DEAA CCOC(=O)c1nnsc1NC(=O)[C@@H](C)c1ccccc1 120601054 IXVHCOLSBGCLLN-VIFPVBQESA-N 305.359 2.457 0 50 DEAA CSc1nc2ncc3c(=O)n(-c4cccc(C)c4)ccc3n2n1 30875237 OZFBVCKPSLAHQE-UHFFFAOYSA-N 323.381 2.459 0 50 DEAA COc1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)o1 215945023 KHZUQCIJRSLKQR-LLVKDONJSA-N 303.314 2.248 0 50 DEAA Cc1noc2ncnc(Nc3cnn(C[C@H]4CCCO4)c3)c12 253426370 GWEUQIRPSFNDCJ-LLVKDONJSA-N 300.322 2.045 0 50 DEAA OCc1cn([C@@H]2CCCC[C@@H]2NCCc2cccs2)nn1 328607342 VTHAAYIVKLBJEH-LSDHHAIUSA-N 306.435 2.148 0 50 DEAA C[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1c1noc(C2CC2)n1 257366320 RQKHWMNEXXHIGQ-OCCSQVGLSA-N 318.421 2.485 0 50 DEAA Cc1c(CN2CCC[C@@](O)(CO)C2)[nH]c2ccc(Cl)cc12 72476514 PVOIIRVNPOYHIT-INIZCTEOSA-N 308.809 2.449 0 50 DEAA CCCn1ccnc1CN1CCC[C@H](C(=O)c2nccn2C)C1 77406317 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COc1cc(C(=O)NCCNc2ncccc2C)ccc1F 223326065 FKAFMEVFNNCPSE-UHFFFAOYSA-N 303.337 2.380 0 50 DEAA Cc1cc(C(=O)N(Cc2nccs2)C2CC2)c(=O)n(C)c1C 426386274 IMWKOPUTOXHMSY-UHFFFAOYSA-N 317.414 2.263 0 50 DEAA O=C(NCCN1CCc2ccccc21)c1ccc2nccnc2c1 97681848 IASNKSRWWNKKMJ-UHFFFAOYSA-N 318.380 2.422 0 50 DEAA COC(C)(C)CNC(=O)N(C)[C@@H](CN(C)C)c1ccccc1 426376392 OWVJYBPOQLQGDW-HNNXBMFYSA-N 307.438 2.356 0 50 DEAA C[C@@H](c1ccc(-c2nnc(C(=O)N(C)C)[nH]2)cc1)N1CCCC1 426405096 GDCGCDXVIYEHED-LBPRGKRZSA-N 313.405 2.330 0 50 DEAA COc1cccc(OC)c1-c1cn([C@@H](C)Cn2cccn2)nn1 91325961 JOSLEOHWPPWQEJ-LBPRGKRZSA-N 313.361 2.420 0 50 DEAA CCCn1cc(C(=O)NCCc2ccc3c(c2)OCO3)c(C)n1 92004610 RHYVQMTWNGXRTQ-UHFFFAOYSA-N 315.373 2.303 0 50 DEAA O=c1c(C(F)(F)F)cccn1Cc1nnc(-c2cccnc2)o1 95366280 BQBGKMFDDYIFFQ-UHFFFAOYSA-N 322.246 2.360 0 50 DEAA COC(=O)c1ccc(N2CCN(c3ccncc3F)CC2)cc1 95512846 XVXXOLHLYWJQGS-UHFFFAOYSA-N 315.348 2.334 0 50 DEAA CCn1cnnc1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 291626784 SAIMWGQZBPXYLH-NSHDSACASA-N 319.796 2.416 0 50 DEAA O=C(Nc1cccc(-c2ccco2)c1)N1CCOC[C@H](CO)C1 95520907 UQZBJXCMNASCQX-ZDUSSCGKSA-N 316.357 2.419 0 50 DEAA CCn1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)n1 244795322 RDZZOURTCLYCSC-ZOBUZTSGSA-N 313.401 2.015 0 50 DEAA Cc1c([C@H](C)NC(=O)c2cc(O)nc(C(C)C)c2)cnn1C 180770907 JPBZKLFRLGTNBQ-JTQLQIEISA-N 302.378 2.444 0 50 DEAA CSCC[C@@H](O)C(=O)NCc1cccc(CN2CCCC2)c1 294212410 CNMGITDLNKFKSK-MRXNPFEDSA-N 322.474 2.013 0 50 DEAA C[C@H]1CN(C(=O)c2ccc(Cl)cc2)CCN1c1cnccn1 1364002986 QGYWKUVTHXSXMA-LBPRGKRZSA-N 316.792 2.481 0 50 DEAA Cc1ccn(C)c(=O)c1NC(=O)[C@H](C)Oc1ccc(F)cc1 268236745 VWXRPZNKDNXRQB-NSHDSACASA-N 304.321 2.239 0 50 DEAA Fc1ccc(N2CCN(CCN3C[C@@H]4CC[C@H]3C4)CC2)cc1 1565505773 KTEREVCUZNSXME-QAPCUYQASA-N 303.425 2.432 0 50 DEAA CCCc1nc(CN2CCN(c3cc(C)ccn3)CC2)no1 166031395 LDZBXBHYGYPKOU-UHFFFAOYSA-N 301.394 2.048 0 50 DEAA CN1CCCN(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)CC1 272091778 LDOMMRUTBMAVHZ-OAHLLOKOSA-N 321.396 2.387 0 50 DEAA 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CN(C(=O)CCc1nccs1)[C@H](Cc1ccccc1)C(=O)O 263375740 ARVZLNSKLHPSCG-CYBMUJFWSA-N 318.398 2.230 0 50 DEAA COC(=O)[C@@H](C)CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 285069071 PAANBGQHRIUXLJ-WDEREUQCSA-N 319.327 2.348 0 50 DEAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cccc(N)n1 220065935 ZRKIVAUBUNELJV-AWEZNQCLSA-N 313.405 2.254 0 50 DEAA Cc1ccccc1N1CCCN(C(=O)C2CCOCC2)CC1 82109407 OQIBNEQCWUANKT-UHFFFAOYSA-N 302.418 2.460 0 50 DEAA COCc1n[nH]c([C@@H]2CCCCN2c2ncc(Cl)cn2)n1 289203791 VRCQXIZLJQIWRR-JTQLQIEISA-N 308.773 2.126 0 50 DEAA Cc1cccc2c(CC(=O)N3CCCC[C@H]3C(=O)O)c[nH]c12 237756883 RBAPUNZUZMJTIM-AWEZNQCLSA-N 300.358 2.485 0 50 DEAA CC(C)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1=O 177666599 VABMIPUFMHFYID-KRWDZBQOSA-N 319.424 2.347 0 50 DEAA CCC(=O)N1CCC[C@@H](C(=O)NCc2sc(C)nc2CC)C1 95511114 UVCUUHMNGXIKQM-GFCCVEGCSA-N 323.462 2.279 0 50 DEAA COCCN1CC[C@H](c2ncnn2-c2ccc(SC)cc2)C1 95362997 XLLYMSFGHIFKBT-ZDUSSCGKSA-N 318.446 2.425 0 50 DEAA CCN1C[C@H](C(=O)Nc2ccccc2N=c2cc[nH]cc2)CC1=O 614254885 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317.414 2.143 0 50 DEAA CC1(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)COC1 359929944 NYMSZOXSJQDFTP-UHFFFAOYSA-N 308.809 2.021 0 50 DEAA CC(C)(CC(=O)NCCN1CCCOC1=O)c1ccccc1 299764601 JHZUTWPDNCBSSB-UHFFFAOYSA-N 304.390 2.313 0 50 DEAA Cc1cccc2[nH]c(CCNC(=O)CCCn3ccnc3)nc12 299780500 AMZNOFOROMLNJF-UHFFFAOYSA-N 311.389 2.207 0 50 DEAA Cc1nccn1C[C@H](C)N1CCN(C2CCCCC2)C(=O)C1 821751105 GBINMIIUHJWFHZ-AWEZNQCLSA-N 304.438 2.057 0 50 DEAA Cc1c(NC(=O)CCc2cnn(C)c2)cccc1C(=O)N(C)C 828070133 JNIXRHJPIATUMQ-UHFFFAOYSA-N 314.389 2.002 0 50 DEAA CN1C[C@@H](C(=O)Nc2ccccc2CN2CCCCC2)CC1=O 952991018 YOXSMHSQZGWZEJ-HNNXBMFYSA-N 315.417 2.089 0 50 DEAA CCOc1cccc(N2CCN(c3nc(C)cnc3C)CC2)n1 273834428 GOORDRUDKABVHG-UHFFFAOYSA-N 313.405 2.214 0 50 DEAA CC[C@]1(CO)CCCN(C(=O)c2ccc3c(c2)ncn3C)C1 275254724 WRXYOGQGTUMDQR-KRWDZBQOSA-N 301.390 2.198 0 50 DEAA CCc1cc(NC(=O)c2cnn(-c3ccccc3)n2)nc(C)n1 170640495 VYOWWMLKJOOOOT-UHFFFAOYSA-N 308.345 2.180 0 50 DEAA CCn1cc(C2CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)cn1 187861771 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CC(C)=CCOc1cccc(C(=O)OC[C@@H]2CCNC2=O)c1 774706542 VVJBSRSKTZOCAX-AWEZNQCLSA-N 303.358 2.325 0 50 DEAA CC(C)c1nc2c(n1C)CCN(Cc1cc(CN(C)C)on1)C2 1615052275 WEBVPTGZSFGOTB-UHFFFAOYSA-N 317.437 2.151 0 50 DEAA Cc1cc(C(=O)O)nc(N2CCC[C@H]2c2nc(C(C)C)no2)n1 1529153014 OWYFELBKBUGXCJ-NSHDSACASA-N 317.349 2.331 0 50 DEAA Cc1nc[nH]c1CN(CCO)C(=O)c1csc2c1CCCC2 1704307880 LIOJCNKRSLEZFI-UHFFFAOYSA-N 319.430 2.293 0 50 DEAA O=C(O)[C@@H](c1cccc(Cl)c1Cl)N1CCS(=O)CC1 581889132 HTDLYSPPVPNUJP-LLVKDONJSA-N 322.213 2.183 0 50 DEAA Clc1ccccc1N1CCN(CC[C@@H]2COCCO2)CC1 1775978604 GAFYIWNEBUIFTG-CQSZACIVSA-N 310.825 2.268 0 50 DEAA O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1F 14494547 XOAHVPLQXBYFCR-RYUDHWBXSA-N 316.332 2.106 0 50 DEAA COCCSc1nnc(C2CCN(CC(C)C)CC2)n1C 14974140 XNUNJGIDLWBGCP-UHFFFAOYSA-N 312.483 2.389 0 50 DEAA CNC(=O)CCCN(C)[C@@H](C)c1nc(Cc2ccccc2)no1 154677084 GKAFEJWDWHIEKD-ZDUSSCGKSA-N 316.405 2.179 0 50 DEAA COc1ccc2c(ccn2CCC(=O)N[C@@H](C(=O)O)C(C)C)c1 207892614 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2.157 0 50 DEAA CC(C)C(=O)Nc1cccc(C(=O)N[C@@H]2CCSC2=O)c1 203633 QKENDQSHXMGNSW-GFCCVEGCSA-N 306.387 2.043 0 50 DEAA CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1 1074243 UAYWAQYDWQWDPQ-UHFFFAOYSA-N 304.371 2.237 0 50 DEAA O=C(COc1ccc(F)cc1)N1CCC[C@]2(CCC[C@H]2O)C1 2356141736 NNUSKXBJFOECKR-NVXWUHKLSA-N 307.365 2.358 0 50 DEAA CCOc1ncccc1C(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(O)CC)C1 2356151310 CKUJEWVACILQMF-JOQOYGCGSA-N 318.417 2.494 0 50 DEAA CCOCc1nnc(NC(=O)[C@H](C)Oc2ccccc2)s1 2734883 CXHOIGVWXQPHRC-JTQLQIEISA-N 307.375 2.481 0 50 DEAA O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccn1 4057114 OTILRNJWMHEKCN-UHFFFAOYSA-N 303.325 2.026 0 50 DEAA COC(=O)[C@H]1NN=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 4104470 MKTBYSGQVNKKDE-ZBFHGGJFSA-N 308.337 2.154 0 50 DEAA C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 4731971 JUWBEHZBSOSSRJ-OLZOCXBDSA-N 304.365 2.437 0 50 DEAA COC[C@H](C)N1C[C@H](C(=O)Nc2ccc(C)c(C)c2)CC1=O 4998758 XKVWAQPYJPKJAW-UONOGXRCSA-N 304.390 2.125 0 50 DEAA C[C@H](Cc1ccc(F)cc1)N1CCN(c2ncccn2)CC1 55142264 FPZHJCNOOWSTNX-CQSZACIVSA-N 300.381 2.369 0 50 DEAA CCc1cccc(NC(=O)CCC(=O)NCC(C)(C)CO)c1 55308708 FXOZJRAESXLMGN-UHFFFAOYSA-N 306.406 2.102 0 50 DEAA C=Cn1cc(CN[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cn1 249037937 TYWAIWXSPAQGAF-CRAIPNDOSA-N 311.433 2.379 0 50 DEAA O=C(NCc1nccs1)[C@H]1CCCN(c2ccccn2)C1 20385664 VNOUGGLKAJPDOZ-LBPRGKRZSA-N 302.403 2.071 0 50 DEAA O=C(NCc1ccco1)c1c(O)c2cccc3c2n(c1=O)CCC3 100331708 XDCAKOZUCQKAIB-UHFFFAOYSA-N 324.336 2.176 0 50 DEAA biogenic CC(C)CN1CC[C@H](CNC(=O)c2ccc3cccnc3n2)C1 67788672 HAHQTZWNWQMHAE-CQSZACIVSA-N 312.417 2.338 0 50 DEAA CN(Cc1nc(-c2ccccn2)no1)C[C@H](O)c1ccccc1 20536336 BLSYMXLJFJJEQZ-HNNXBMFYSA-N 310.357 2.297 0 50 DEAA CCOc1ccc(CCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 136108100 WCURVRSHXFDZEK-CQSZACIVSA-N 305.374 2.341 0 50 DEAA Cc1noc([C@H]2CCCN(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)C2)n1 350140349 UELFEARINLZOQL-XUXIUFHCSA-N 304.394 2.456 0 50 DEAA Cc1nc(C2CCNCC2)cc(N2CCN(C)C[C@@H]2C(C)C)n1 67714258 GIBCSPVPPWVMLB-QGZVFWFLSA-N 317.481 2.028 0 50 DEAA CC(=O)Nc1ccc(-c2cn([C@@H](C)Cc3cnccn3)nn2)cc1 67587496 QFSUMXCKMPOCBX-LBPRGKRZSA-N 322.372 2.497 0 50 DEAA CC(C)(C)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 90204 GNKPMGZPJFCTLC-UHFFFAOYSA-N 318.398 2.263 0 50 DEAA Cc1nn(C)cc1CN(C)C(=O)c1cc2ccccc2oc1=O 1002488 ZWACWIMWYWWEAJ-UHFFFAOYSA-N 311.341 2.107 0 50 DEAA C[C@@H]1CN(Cc2ccccn2)CCN1C[C@@H](O)c1ccccc1 229527780 HPRGDHSXSYFNCN-VQIMIIECSA-N 311.429 2.321 0 50 DEAA COCC1(CN[C@H]2CCC[C@@H](c3ccnn3C)C2)CCOCC1 425950388 KDJBUIUMHQXZAH-CVEARBPZSA-N 321.465 2.479 0 50 DEAA CCN1CCN(C(=O)c2cccc(F)c2F)C[C@@H]1c1ncc[nH]1 328625703 KXYBSPIDGCXCOM-CYBMUJFWSA-N 320.343 2.207 0 50 DEAA CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1c1nccn1C 328641481 XYOYGTNLORSDBE-BRWVUGGUSA-N 324.428 2.039 0 50 DEAA Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)CC(F)(F)F)cc1 129307594 BLKFMNWXGHHZRZ-JTQLQIEISA-N 323.336 2.226 0 50 DEAA COc1ccccc1OCCNC(=O)C[C@H]1CCCCN1C 215246887 CDQVYVFMCJANDE-CQSZACIVSA-N 306.406 2.065 0 50 DEAA Cn1c(C(=O)Nc2ccc3nc(S)oc3c2)cccc1=O 129697465 BLCKYCWNTFNMFY-UHFFFAOYSA-N 301.327 2.068 0 50 DEAA Cc1ccc2c(C)c(C(=O)N[C@H]3CCCNC3=O)oc2c1C 77378433 ZBMJPBCVXOJDCC-ZDUSSCGKSA-N 300.358 2.366 0 50 DEAA Cn1cc([C@@H](NC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)C(F)(F)F)cn1 333351587 FLYBSMQOFSPTBC-JZSSXWJLSA-N 302.300 2.121 0 50 DEAA C[C@@]1(C(=O)N[C@H]2CCc3c(Cl)cccc32)CCC(=O)NC1 281890243 OPALYTULCIMXRI-XJKSGUPXSA-N 306.793 2.360 0 50 DEAA CCc1cc(Nc2ccc(OCCC(=O)NC)cc2)ncn1 603393325 CTGHSMTUNNEKIT-UHFFFAOYSA-N 300.362 2.298 0 50 DEAA Cc1ccc2c(c1)[C@@H](NC(=O)c1cnc(C(=O)O)cn1)[C@@H](C)C2 263279616 OBGQRKKLGRIOQC-BONVTDFDSA-N 311.341 2.147 0 50 DEAA O=C(NCc1ccc2c(n1)CCCC2)c1cnn2c1CCCC2 241435173 NLISEGWYHIZKKE-UHFFFAOYSA-N 310.401 2.423 0 50 DEAA COc1cccc2c1N(S(=O)(=O)C[C@H](C)OC)CC[C@H]2C 242001119 VDCHCWFNIROYHX-NEPJUHHUSA-N 313.419 2.374 0 50 DEAA Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1C 283366761 CCYREESKCFNFMG-CYBMUJFWSA-N 310.760 2.494 0 50 DEAA CCc1nnc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3N2)s1 223105044 PVADXQHYGNDZKM-LLVKDONJSA-N 322.821 2.407 0 50 DEAA Cc1cnc(CNC(=O)[C@@H](O)c2ccccc2Cl)c(C)c1O 222257992 VOMIVKBEYCVGPA-HNNXBMFYSA-N 320.776 2.407 0 50 DEAA C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(C2CC2)[nH]c1C1CC1 625753245 ADBABVSMBNZKBR-SNVBAGLBSA-N 322.430 2.029 0 50 DEAA COc1ccnc(CN2CCC[C@H](c3ccn[nH]3)C2)c1OC 190408698 GBVZFYALRWMURL-LBPRGKRZSA-N 302.378 2.202 0 50 DEAA CC1=CCN(C(=O)C2CCN(C(=O)c3ccncc3)CC2)CC1 426490515 JXEHWKNLDNXYLR-UHFFFAOYSA-N 313.401 2.112 0 50 DEAA CN(C)[C@@H](C(=O)NCCn1cc(Cl)cn1)c1ccc(F)cc1 95379866 PXGMRAFVJXLMDO-CQSZACIVSA-N 324.787 2.095 0 50 DEAA Cc1cccc(CN2CCN(c3cc(C(=O)O)ccn3)CC2)c1 95500239 KIKFXQVCQZZICW-UHFFFAOYSA-N 311.385 2.410 0 50 DEAA CCOc1ccc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cn1 162148381 BSLBVIQILUOBAW-SNVBAGLBSA-N 303.366 2.265 0 50 DEAA Cn1cncc1C(=O)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 291975742 WNXCCVYSJKDHMU-DZGCQCFKSA-N 321.327 2.428 0 50 DEAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccco1)C2 91997495 PWFSZWVIHYUUKE-UONOGXRCSA-N 314.389 2.048 0 50 DEAA C[C@@H]1CC[C@@H]2C(=O)N([C@H](CC(=O)O)c3ccco3)C(=O)[C@H]2C1 245257200 WWVINSFHAZLOQY-NOOOWODRSA-N 305.330 2.217 0 50 DEAA CC(=O)N[C@H]1CCCN(CCC(=O)Nc2ccc(C)c(F)c2)C1 244828525 TXTRUUTWJLFODH-HNNXBMFYSA-N 321.396 2.063 0 50 DEAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCOCC(F)(F)F 299742486 JOAAREWBNGOVSY-MXWKQRLJSA-N 323.311 2.200 0 50 DEAA CCCC1(NC(=O)N2CCOc3ccc(CO)cc3C2)CC1 534675542 AJMLDQIIOHXPJD-UHFFFAOYSA-N 304.390 2.416 0 50 DEAA Cc1c(CNCc2cc3ccc(F)cc3n(C)c2=O)cnn1C 299767990 HEVNBYHTQSCUBA-UHFFFAOYSA-N 314.364 2.009 0 50 DEAA COc1cccc(C)c1C(=O)NC[C@@H](O)c1cccc(O)c1 824795668 NLWQKGJZQVYQEH-CQSZACIVSA-N 301.342 2.173 0 50 DEAA COc1ccc(Cc2n[nH]c(CCn3c(C)cccc3=O)n2)cc1 824674604 SGAMTACAJRKQNG-UHFFFAOYSA-N 324.384 2.117 0 50 DEAA CN1CC[C@@H](CN(C)S(=O)(=O)Cc2ccccc2)C1(C)C 823755030 QHLTZAUGNSASLE-HNNXBMFYSA-N 310.463 2.179 0 50 DEAA Cc1nc([C@H]2CCCN(c3nc(C)c4c(n3)CCCC4)C2)n[nH]1 670460190 GQYVPENRTJFRPF-ZDUSSCGKSA-N 312.421 2.474 0 50 DEAA Cc1cc(O)c2cccc(C(=O)N(C)C[C@H]3CCOC3)c2n1 584885560 JULPUBSDYOPWDW-GFCCVEGCSA-N 300.358 2.357 0 50 DEAA CC(C)Nc1ncc(CNCc2ccc3nc(O)[nH]c3c2)cn1 952968936 GIWLQHGHWWAAHM-UHFFFAOYSA-N 312.377 2.169 0 50 DEAA Cc1ccc(N2CCC(N[C@H]3CC=CC[C@@H]3C(N)=O)CC2)cc1 1565531408 DOKBDROILUMIQW-ROUUACIJSA-N 313.445 2.374 0 50 DEAA CC(C)(NS(C)(=O)=O)c1noc(C2CCC(F)(F)CC2)n1 408228386 HTHKLPZTMCGOPJ-UHFFFAOYSA-N 323.365 2.147 0 50 DEAA Cc1nc(C2(NCc3nc(N(C)C)no3)CCCCCC2)no1 408515761 RHGXKFLXISYFAN-UHFFFAOYSA-N 320.397 2.166 0 50 DEAA CCCc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3O)[nH]n1 185322711 KNRGAGRQGPUNQW-AWEZNQCLSA-N 301.346 2.430 0 50 DEAA C[C@@H](N[C@]1(CO)CCOC1)c1cc(Br)ccc1F 170077947 RIDYRTVIKXEJPZ-RNCFNFMXSA-N 318.186 2.390 0 50 DEAA C[C@@H](c1nnnn1C)N1CCC[C@@H]1CC(=O)c1ccc(F)cc1 189731212 DOGBJPYVAJUFRW-SMDDNHRTSA-N 317.368 2.148 0 50 DEAA CC(C)(C)n1nccc1NC(=O)N[C@H]1c2ccccc2C[C@@H]1O 190484363 ZIOWJEYZVYRIIW-ZFWWWQNUSA-N 314.389 2.418 0 50 DEAA O=C(O)[C@H]1CN(C(=O)CCc2cscn2)c2ccccc21 192963286 JPRSHXWCMUYARK-LBPRGKRZSA-N 302.355 2.291 0 50 DEAA CCn1nccc1-c1cn(Cc2cn3cc(C)ccc3n2)nn1 656448855 NUGGJXSRRITICD-UHFFFAOYSA-N 307.361 2.166 0 50 DEAA O[C@@H](COc1ccc2ccccc2c1)CN1CCn2cncc2C1 660577473 JLXFSRZREJMIPL-GOSISDBHSA-N 323.396 2.292 0 50 DEAA CCc1ccc(CCNC(=O)[C@H]2CCCc3nnn(C)c32)cc1 1615585666 KMWQBLAJXRQFLQ-HNNXBMFYSA-N 312.417 2.156 0 50 DEAA CN1C(=O)COC12CCN(Cc1cc(C(F)(F)F)co1)CC2 1615588711 GXRBTALHGCYRQK-UHFFFAOYSA-N 318.295 2.079 0 50 DEAA CC(C)(C(=O)N[C@H]1CCOC2(CC(C(=O)O)C2)C1)C(F)(F)F 1615827041 DSGMFEZTGRCOAI-JVVWGOMOSA-N 323.311 2.104 0 50 DEAA Cc1cc(C(=O)N2CCN3[C@H](COC[C@H]3C3CC3)C2)ccc1F 1616077446 GPWKVILFKWIBEC-RDJZCZTQSA-N 318.392 2.069 0 50 DEAA CCN(CCn1cccn1)C(=O)C[C@H](C)N1CCCCCC1 1506418208 OLVALRIEVNNJME-INIZCTEOSA-N 306.454 2.386 0 50 DEAA Cc1ccc(C(=O)N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)s1 1704298570 JJWWGWBPUQBQTD-CJNGLKHVSA-N 322.430 2.068 0 50 DEAA C[C@@H]1CC[C@@H](CC(=O)N(CCS(C)(=O)=O)C(C)(C)C)C1 123271537 NBNCZMRTQMNMCR-CHWSQXEVSA-N 303.468 2.484 0 50 DEAA C[C@@]1(O)CCOC2(CCN(CCc3ccc(O)cc3)CC2)C1 1704333660 BXNZREHIXNIICK-QGZVFWFLSA-N 305.418 2.331 0 50 DEAA COc1nc(NCc2ccc(N3CCCC3=O)cc2)ncc1F 1704325282 LIFLIEBLFAXLEL-UHFFFAOYSA-N 316.336 2.363 0 50 DEAA O=C(NCCCCc1ccc(Cl)s1)[C@H](O)C1(O)CCC1 1875274791 BFZCBBFGUGWYFB-LBPRGKRZSA-N 317.838 2.116 0 50 DEAA O=C(CCc1ccccc1F)N1CCCN([C@H]2CCOC2)CC1 1565522376 ODSMDYOGNLCXBB-INIZCTEOSA-N 320.408 2.082 0 50 DEAA OC[C@H](O)C1CCN(Cc2cccc(CC(F)(F)F)c2)CC1 1772704897 ULGLWLJWDQDTJI-HNNXBMFYSA-N 317.351 2.357 0 50 DEAA N=c1[nH]nc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)s1 1857674262 AHTSKXWRRLVGHI-UHFFFAOYSA-N 318.381 2.350 0 50 DEAA Cc1cc(C)n2ncc(-c3nccn3[C@@H]3CCCCNC3=O)c2n1 1857686669 BLNPMYVXQZETTD-CQSZACIVSA-N 324.388 2.051 0 50 DEAA CC[C@H]1CN(C)CCCN1C(=O)c1cc(-c2ccoc2)[nH]n1 614335505 PSWMGAWYZPSAEY-ZDUSSCGKSA-N 302.378 2.226 0 50 DEAA CC(C)c1nnc([C@H]2COCCN2C(=O)CCc2ccoc2)o1 328616041 ZTBFZXBLNMMRKX-CYBMUJFWSA-N 319.361 2.319 0 50 DEAA CCO[C@@H]1C[C@@H](NCc2nnc([C@@H]3CCCOC3)o2)C12CCC2 643819305 GTGJRCCIUIJWML-MGPQQGTHSA-N 321.421 2.401 0 50 DEAA Cc1ccc2cccc(C(=O)N[C@H]3CCN(C(C)C)C3=O)c2n1 127085082 KGDVVTNNQRJKON-HNNXBMFYSA-N 311.385 2.282 0 50 DEAA Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]([C@@H](C)N)C2)cc1F 237327890 VSLLEHGSYPBGKW-MNOVXSKESA-N 318.389 2.021 0 50 DEAA O=C(CC1(O)CCCC1)NCc1cccc(C(F)(F)F)n1 452399347 GAJRRBBHRDLZID-UHFFFAOYSA-N 302.296 2.412 0 50 DEAA CCCCn1nccc1NC(=O)N[C@@H]1c2ccccc2C[C@H]1O 158343347 OTYVWQAVNAFCPL-GDBMZVCRSA-N 314.389 2.463 0 50 DEAA CN1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)CC[C@H]1C(F)(F)F 583618135 FMKFBMSNJAPWHG-WPRPVWTQSA-N 309.719 2.423 0 50 DEAA Cn1nc(C(F)(F)F)cc1CN1C(=O)OC2(CCCC2)C1=O 902743129 HABZSPDAECRPDF-UHFFFAOYSA-N 317.267 2.231 0 50 DEAA C[C@@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)O)C1)n1cccn1 909426967 TVZVNXSDFNGGBN-WFASDCNBSA-N 313.357 2.045 0 50 DEAA O=S(=O)(c1cccc2ccncc12)N1CC[C@]2(CCOC2)C1 914241427 LBGHNQGBCMZNNN-INIZCTEOSA-N 318.398 2.036 0 50 DEAA CC[C@@H](C)Oc1cc(N2CC[C@@H](n3cncn3)C2)nc(C)n1 858489528 FYRSSHNBTOBVAX-DGCLKSJQSA-N 302.382 2.005 0 50 DEAA CC[C@@H](C)Oc1cc(N2CC[C@H](n3cncn3)C2)nc(C)n1 858489530 FYRSSHNBTOBVAX-YPMHNXCESA-N 302.382 2.005 0 50 DEAA COc1cccc(CNC(=O)[C@]2(C(=O)O)CC=CCC2)c1F 1875270607 GUTHUAGOOLFBEE-INIZCTEOSA-N 307.321 2.262 0 50 DEAA Cc1nc(C(=O)NC[C@](C)(CO)Cc2cccs2)cs1 1875253849 QNYAWFJEBUOPBT-CQSZACIVSA-N 310.444 2.484 0 50 DEAA COc1cc(C)cc(C)c1S(=O)(=O)N=S1(=O)CCCC1 1875279856 IPYSEFRQRDNGTF-UHFFFAOYSA-N 317.432 2.263 0 50 DEAA CC(C)(N)/C=C/C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 1875338459 YNKBQLZAYOLXQP-VOTSOKGWSA-N 323.387 2.297 0 50 DEAA CC(C)n1ncc2cc(C(=O)NC3CC(c4ncc[nH]4)C3)cnc21 1775996724 FUYUKTFZGLYCEG-UHFFFAOYSA-N 324.388 2.411 0 50 DEAA Ic1csc(CNC[C@H]2CCOC2)c1 1775991022 JENHNTSRMQEFTE-MRVPVSSYSA-N 323.199 2.479 0 50 DEAA CC(C)CS(=O)(=O)N1CCC(F)(Cc2ccccn2)CC1 1775991727 MFOKGUXXLGTYPE-UHFFFAOYSA-N 314.426 2.414 0 50 DEAA Cc1nc2ccccc2c(C)c1C(=O)NC/C=C/S(C)(=O)=O 1776007001 FNFGSTRJPWXBAC-UXBLZVDNSA-N 318.398 2.140 0 50 DEAA Cc1ncc(CN2CCN(c3cccc4cnccc34)C(=O)C2)[nH]1 2325763653 TYVPMNZTCDJYBV-UHFFFAOYSA-N 321.384 2.115 0 50 DEAA CCc1nn(C)c(CC)c1Nc1ccc(S(C)(=O)=O)cn1 2325767395 DZWHAPXXWLFMRV-UHFFFAOYSA-N 308.407 2.087 0 50 DEAA Cc1ccc(Cl)cc1N1CCN(Cc2cc(CO)on2)CC1 2325803466 IFLPKGQMXYRUSI-UHFFFAOYSA-N 321.808 2.451 0 50 DEAA Cc1n(C)c2ccccc2[n+]1C[C@H](O)COC1CCCCC1 110081 UJJIWSHIAQHBPD-HNNXBMFYSA-N 303.426 2.484 0 50 DEAA Cc1nc2ccc(NC(=S)N3CCOCC3)cc2nc1C 2862375 UAAYKOSAEJDYJW-UHFFFAOYSA-N 302.403 2.276 0 50 DEAA COC[C@@]12COC[C@@H]1CN(c1cccc(C(F)(F)F)n1)C2 2356164754 FYYQGRPEJMSPBP-GWCFXTLKSA-N 302.296 2.200 0 50 DEAA Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)NC3CC3)c2n1 20605943 ARQPCOOGTBGRAF-UHFFFAOYSA-N 312.295 2.346 0 50 DEAA CC(C)CNC(=O)[C@@H](C)N1CCC[C@@H](N2CCCCCC2)C1 221746604 PEFAAPHKUISCGQ-IAGOWNOFSA-N 309.498 2.488 0 50 DEAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)cc(C)c2)C1 10302195 GKWNIRSBHDZMJK-AWEZNQCLSA-N 324.446 2.304 0 50 DEAA COC(=O)/N=c1\[nH]c2ccc([S@@](=O)c3ccccc3)cc2[nH]1 8584337 BEZZFPOZAYTVHN-JOCHJYFZSA-N 315.354 2.330 0 50 DEAA endogenous,investigational CCOC(=O)c1cc(NC(=O)N2CC[C@@H](CO)C2)c(F)cc1C 346812644 DAPPELMPJHGUFJ-LLVKDONJSA-N 324.352 2.157 0 50 DEAA O=C(c1cnc2sccn2c1=O)N1CCc2sccc2C1 10924299 FYJXJELKTHJDJQ-UHFFFAOYSA-N 317.395 2.016 0 50 DEAA O=C(Cc1ccc(OC(F)(F)F)cc1)N1C[C@@H](F)C[C@H]1CO 347401308 UEGCYQYNIGWALY-QWRGUYRKSA-N 321.270 2.059 0 50 DEAA Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cn1 52644121 SYEDFOMPDRDDIR-JTQLQIEISA-N 318.764 2.065 0 50 DEAA COc1cccc(-n2c(COCC(=O)O)nc3ccccc32)n1 67881786 FGLGADBWLFMGOW-UHFFFAOYSA-N 313.313 2.030 0 50 DEAA O=C(c1ccc(Cl)cc1O)N1CCC[C@@H](N2CCCC2=O)C1 111648933 WOIONWPRPBHSRH-GFCCVEGCSA-N 322.792 2.273 0 50 DEAA N[C@@H]1CC[C@@H](NC(=O)CC2CCN(Cc3ccccc3)CC2)C1 67758145 YSTXYRXJVITPCN-QZTJIDSGSA-N 315.461 2.285 0 50 DEAA Cc1ccc(C(=O)N2CCN(c3ccc(C)nn3)CC2)c(C)c1 67601997 YDQRIQNNWNAAGV-UHFFFAOYSA-N 310.401 2.364 0 50 DEAA CCc1cc(N2CCN(C(=O)CCC(F)(F)F)CC2)ncn1 219013752 ASNSMFLAYDMXAS-UHFFFAOYSA-N 316.327 2.030 0 50 DEAA CC[C@@H](NC(=O)c1ccc(OC)c(F)c1)c1ncnn1CC 219102729 HCZMNGIVHVONDO-GFCCVEGCSA-N 306.341 2.327 0 50 DEAA CCn1ncc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C 2781566 GIJJKCBSTJNCIZ-UHFFFAOYSA-N 318.402 2.113 0 50 DEAA CO[C@@H](C)CS(=O)(=O)Nc1ccc(Oc2ncccn2)cc1 253398659 YVSQEFALSDNRLK-NSHDSACASA-N 323.374 2.046 0 50 DEAA CN(C[C@@H]1CCc2nccn2C1)C(=O)c1cccc2[nH]ncc12 328628502 NTEAKDOOXYNPTD-LBPRGKRZSA-N 309.373 2.094 0 50 DEAA COc1c(C)cnc(CN(C)C(=O)c2cc(C)cc(O)n2)c1C 433240384 AZBYHKRLLOYPRL-UHFFFAOYSA-N 315.373 2.388 0 50 DEAA CCN1CCN(Cc2ccc(O[C@@H](C)C(=O)O)cc2)CC1(C)C 216407990 GAMPFQZIDIZMFI-AWEZNQCLSA-N 320.433 2.455 0 50 DEAA C[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)Oc1cccnc1 219918142 FTDFUFQUBHUOBI-CYBMUJFWSA-N 324.384 2.474 0 50 DEAA CC(C)(CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)O 236760969 KAZLHFYJVCSGEL-UHFFFAOYSA-N 307.394 2.356 0 50 DEAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)Cc1cnc2ccccc2c1 131360513 HQLDYVUYDMBWFQ-KRWDZBQOSA-N 323.396 2.047 0 50 DEAA C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC2CCOCC2)C1=O 172293907 YUSOMYLYVNUDQS-MRXNPFEDSA-N 324.327 2.158 0 50 DEAA CN1CCN(c2ccncc2Cl)C[C@@H]1c1nc(C2CC2)no1 284439405 FIENXHQAEATFIZ-CYBMUJFWSA-N 319.796 2.489 0 50 DEAA O=C(NCc1cccnc1)NC1CCN(C2CCCC2)CC1 175510970 ASWBGLGEKSRFBT-UHFFFAOYSA-N 302.422 2.288 0 50 DEAA CSc1ccc(CC(=O)NCCc2cc(O)nc(C)n2)cc1 223572334 YTJIWNAVMXKRRL-UHFFFAOYSA-N 317.414 2.114 0 50 DEAA CCCn1cnnc1CNC(=O)c1cnoc1-c1ccccc1 426724015 QQJNZAJNFSFIPF-UHFFFAOYSA-N 311.345 2.273 0 50 DEAA COCCN1CCC(CN(C)c2nnc(C(C)(C)C)o2)CC1 91656943 ZEUSQQLKPZEBOT-UHFFFAOYSA-N 310.442 2.162 0 50 DEAA O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239425958 VNRZMUSBXJXIPM-KKOKHZNYSA-N 311.696 2.072 0 50 DEAA CC(C)Cc1ccc(CN2CCN([C@@H]3CCNC3)CC2)s1 97636564 ZABLMEAXAZJECS-OAHLLOKOSA-N 307.507 2.426 0 50 DEAA O=C([C@@H]1CCCN1)N1CCC(OCc2ccccc2F)CC1 237833254 HEXMIGLUCLDUSL-INIZCTEOSA-N 306.381 2.085 0 50 DEAA CNC[C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 178969250 SITGWOCMUOMOOO-LLVKDONJSA-N 318.808 2.412 0 50 DEAA Cc1cc(C)c(C(=O)NC[C@@H]2OCCc3ccccc32)c(=O)[nH]1 91586141 DUFIJPRQPVPPEC-HNNXBMFYSA-N 312.369 2.036 0 50 DEAA CCOc1cc(C(=O)N2CC[C@](C)(C(=O)O)C2)ccc1OC 299740572 ADNNBDSTCITEKY-INIZCTEOSA-N 307.346 2.031 0 50 DEAA Cc1cnn([C@@H](C)C(=O)NCCOc2cccc3cccnc23)c1 244595043 DNOHOMOACNJHPX-AWEZNQCLSA-N 324.384 2.496 0 50 DEAA CCc1ccnc(C(=O)NC2CCN(Cc3ccccn3)CC2)c1 181759529 DXHHBBOUGXMYMG-UHFFFAOYSA-N 324.428 2.433 0 50 DEAA CC(C)Oc1ncc(C(=O)N(CC(=O)O)C2CC2)cc1Cl 299746222 VVPDUFPIOMFFJE-UHFFFAOYSA-N 312.753 2.211 0 50 DEAA Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)O)cc1 299749099 JFZBMLWGXSNOSY-QEJZJMRPSA-N 305.374 2.394 0 50 DEAA COc1ccc2c(c1)[C@H](NC(=O)Cn1ccnc1)CC(C)(C)O2 534579673 NIGCEYODPDIWJN-CQSZACIVSA-N 315.373 2.310 0 50 DEAA COCCN(Cc1ccsc1)C(=O)[C@H]1CC12CCNCC2 534644144 FVIRCEAZZRKCLK-CQSZACIVSA-N 308.447 2.113 0 50 DEAA CC[C@@H](NC(=O)N(C)Cc1nccs1)c1ncnn1CC 534590242 ZSMATKVABVVGHE-SNVBAGLBSA-N 308.411 2.047 0 50 DEAA O=C(c1ccc(-c2ncn[nH]2)cc1)N(C[C@@H]1CCOC1)C1CC1 184877652 MSSSUZRCOXEGBW-LBPRGKRZSA-N 312.373 2.113 0 50 DEAA CCOC[C@H]1CCN(C(=O)[C@H]2CCN(Cc3ccccc3)C2)C1 408518089 TUXDBQVZPFZECF-ROUUACIJSA-N 316.445 2.394 0 50 DEAA Cc1ocnc1C(=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1565528376 PDNKXHHCUJHHRF-YALNPMBYSA-N 312.369 2.359 0 50 DEAA O=C(CC1=CCCC1)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565510876 VIGWYTSXVJUKRA-IRXDYDNUSA-N 316.401 2.372 0 50 DEAA COc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)c(C(F)(F)F)c1 268918633 RDIWZXZPHLYWGO-NXEZZACHSA-N 317.263 2.051 0 50 DEAA Cc1ncn(Cc2nc(-c3ccc(F)c(F)c3)no2)c(=O)c1C 188283334 NVQANFUOGNOCKU-UHFFFAOYSA-N 318.283 2.237 0 50 DEAA Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 640868892 GIPCOEGIUZKJDL-BMFZPTHFSA-N 322.836 2.366 0 50 DEAA O=C1CCCC[C@H](C(=O)N(CCC(F)(F)F)CC2CC2)N1 194286508 XOXNNOKTUIHTKD-LLVKDONJSA-N 306.328 2.236 0 50 DEAA O=C(CN=c1cc[nH]c2ccncc12)Nc1ccc(F)c(F)c1 754473649 NJZWLAXHXWSOOC-UHFFFAOYSA-N 314.295 2.381 0 50 DEAA O=C(NCc1cnn(CCF)c1)N[C@@H]1CCc2c(O)cccc21 1614999052 KNXHBCYZQDVLFV-CQSZACIVSA-N 318.352 2.045 0 50 DEAA O=C(N[C@H]1CCc2ncccc2C1)[C@H]1CCc2cccc(O)c21 1615586746 RSKXENXZGXXMMM-GJZGRUSLSA-N 308.381 2.491 0 50 DEAA CC(C)N1CCC[C@@H]1CC(=O)N1CC(=O)Nc2ccccc2C1 1616031250 MBRONBQKHMYIPJ-OAHLLOKOSA-N 315.417 2.230 0 50 DEAA CC(C)n1cnnc1CN(Cc1ccccn1)C[C@H]1CCCO1 1506401404 ZUJNMAVLBQJMBH-MRXNPFEDSA-N 315.421 2.435 0 50 DEAA CCC(=O)NC(=S)Nc1cccc(C(=O)N[C@@H](C)CC)c1 12138765 FKUPRKNYFUUEKD-JTQLQIEISA-N 307.419 2.438 0 50 DEAA CCOC(=O)CC(=O)Nc1cccc(C(=O)N[C@@H](C)CC)c1 12404353 CSXJLZJKNUVTNI-NSHDSACASA-N 306.362 2.107 0 50 DEAA O=C(c1ccc(F)cc1)N1CCn2c1nc1ccccc1c2=O 13362378 NUFLFKSUWNTSRS-UHFFFAOYSA-N 309.300 2.196 0 50 DEAA CN1CCC[C@@](O)(CNCc2ccccc2-c2ccccc2)C1=O 14963714 VNWMESOLWGYUFM-HXUWFJFHSA-N 324.424 2.427 0 50 DEAA CCN1CCN(C(=O)Cc2cccc3ccccc23)CCC1=O 15008753 RAZIYBUCPRDVIK-UHFFFAOYSA-N 310.397 2.463 0 50 DEAA CC(=O)n1c(=O)n(-c2ccccc2)c(=O)c2c(C)c(C)sc21 16184046 BQWAJZBWLOCVSC-UHFFFAOYSA-N 314.366 2.491 0 50 DEAA Cc1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)cc1 18275889 RSPWPCBBQYZFIE-UHFFFAOYSA-N 311.385 2.118 0 50 DEAA Cc1nn(-c2ccc(Br)cc2)c2nc[nH]c(=O)c12 169794945 GYBZKCYVYXHTJQ-UHFFFAOYSA-N 305.135 2.180 0 50 DEAA Cc1nccn1S(=O)(=O)c1ccc(Br)cc1 313620 SPOIIUHBZFJLOA-UHFFFAOYSA-N 301.165 2.191 0 50 DEAA in-vitro O[C@H]1CC[C@@H](CNc2ccc3nnc(-c4ccsc4)n3n2)C1 225491246 ZVJLTLXEKIEOAZ-PWSUYJOCSA-N 315.402 2.426 0 50 DEAA COc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3)c2N)cc1 11690554 IABGAJQPDSPPST-UHFFFAOYSA-N 323.356 2.419 0 50 DEAA OC[C@@H]1CCN(c2nc(-c3ccc(F)cc3)cs2)C[C@@H]1O 576322363 XHPFYQLKKZELPH-FZMZJTMJSA-N 308.378 2.129 0 50 DEAA Cc1ccc(C(=O)N2C[C@@H](C)O[C@@]3(CCCOC3)C2)nc1C 584039670 ZDURVXPVYPDVTR-DYVFJYSZSA-N 304.390 2.109 0 50 DEAA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(CCOc2cccc(C(=O)O)c2)[C@H]31 394218951 CNCIBDCHPAVSKG-XSIBGMEISA-N 317.385 2.119 0 50 DEAA Cc1nc(C)c(CC(=O)N[C@@H](C(=O)O)c2ccccc2)s1 902049956 LIOFMZOJHAPPTF-CQSZACIVSA-N 304.371 2.245 0 50 DEAA O=C([C@@H]1CCCCO1)N1CCC[C@@]1(Cc1ccccc1)C(=O)O 910104130 UNWPLEMJZSLUAQ-MAUKXSAKSA-N 317.385 2.244 0 50 DEAA CCc1cccnc1-c1noc(C(C)(C)CN2CCOCC2)n1 923896255 ZLWMALKIUCVFPV-UHFFFAOYSA-N 316.405 2.304 0 50 DEAA c1ccc2c(c1)[C@@H](N[C@@H]1CCc3c[nH]nc3C1)CC21OCCO1 1875275010 NKJCVIUELFZSFK-DYVFJYSZSA-N 311.385 2.201 0 50 DEAA C=CC(=O)N1CCC(C(=O)N(CC)CCOC(C)(C)C)CC1 1875370148 DDXYBEJNOSMQBO-UHFFFAOYSA-N 310.438 2.075 0 50 DEAA Cc1nc(CN2CCN(c3cc(C(F)F)ncn3)CC2)oc1C 892319660 OKMRMVDXINHQOA-UHFFFAOYSA-N 323.347 2.341 0 50 DEAA O=C(O)c1ccc2c(c1)CCCN2C(=O)OC1CCOCC1 1775993468 RPRGAKGXBZMSBS-UHFFFAOYSA-N 305.330 2.453 0 50 DEAA O=C(O)[C@]1(O)CCCN(Cc2cc(Cl)ccc2Cl)C1 888097579 STWBAOLXQIDGER-ZDUSSCGKSA-N 304.173 2.405 0 50 DEAA COC[C@@H](CS(=O)(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C)OC 2325776493 QZEHOEJNYWCCFC-MELADBBJSA-N 321.483 2.124 0 50 DEAA O=C(N[C@H]1[C@@H](O)[C@H]2CCC[C@H]21)c1cncc2ccc(F)cc12 2325783095 YQAVZGKMMWDIKC-KOZAUXTDSA-N 300.333 2.263 0 50 DEAA Cc1cccc2nc(CNC(=O)[C@H]3Cc4c(F)cccc4N3)cn12 2325849231 JCZPUYOTJFKTTP-MRXNPFEDSA-N 324.359 2.435 0 50 DEAA CN(C1=CC(=O)N(c2ccccc2)C1=O)c1cccc(CO)c1 2325863160 XVANZJGARCJIDG-UHFFFAOYSA-N 308.337 2.072 0 50 DEAA Fc1cc(N2CCN(c3cc(C(F)F)ncn3)CC2)ccn1 894062778 YKUHCODLEZOCNY-UHFFFAOYSA-N 309.295 2.275 0 50 DEAA COc1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc1 294768 PFWLKGNSZVBNTF-UHFFFAOYSA-N 301.298 2.411 0 50 DEAA CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1cccc(F)c1 382521 IQRLOIJQSSCNNL-UHFFFAOYSA-N 322.361 2.230 0 50 DEAA Cc1nn(C)cc1CNC(=O)c1ccccc1Br 1002000 IUVJYPIQEVMIHY-UHFFFAOYSA-N 308.179 2.421 0 50 DEAA CCCCSc1nc2c(cnn2-c2ccccc2)c(=O)n1N 2375984 HCSOTTKPZBOGLQ-UHFFFAOYSA-N 315.402 2.188 0 50 DEAA O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccs1 2810551 WLAUYIRGFKFTLL-UHFFFAOYSA-N 318.383 2.045 0 50 DEAA CN1CCC[C@]2(CCCN2C(=O)c2ccc3ccccc3n2)C1=O 2356170183 YVHDENMSQAHLDX-IBGZPJMESA-N 323.396 2.462 0 50 DEAA CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)s1 8234659 QHFIQPJNUYJFGC-JTQLQIEISA-N 322.434 2.391 0 50 DEAA O=C(CCCn1cncn1)NCCCn1ccc2ccccc21 54147039 VYVITKSHICKSOB-UHFFFAOYSA-N 311.389 2.220 0 50 DEAA COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 101127753 CZWNOIFPSYXNRQ-TUVASFSCSA-N 323.348 2.175 0 50 DEAA CCn1cc(C(=O)Nc2ccnc(OCC(F)(F)F)c2)cn1 345463754 XYOOBZWLHGACJY-UHFFFAOYSA-N 314.267 2.491 0 50 DEAA COc1cccc2c1OC[C@@H](NC1CSCCSC1)C2 11818695 XDHLMLASANZOPF-LBPRGKRZSA-N 311.472 2.437 0 50 DEAA CC(=O)N[C@@H]1CN(C(=O)CCc2cccc(F)c2)C[C@H]1C(C)C 77377402 YMRXQZQTCHXBFK-DLBZAZTESA-N 320.408 2.377 0 50 DEAA Cc1n[nH]c([C@H]2CCCN2C(=O)CCn2cnc3ccccc32)n1 217438957 GWUOSRPRBRLCDU-OAHLLOKOSA-N 324.388 2.217 0 50 DEAA COc1cc2c(c(OC)c1OC)CCN(Cc1ccon1)CC2 253420429 XBPYFDFHUVSOSH-UHFFFAOYSA-N 318.373 2.301 0 50 DEAA Cc1nc(CC(=O)NC[C@H](CO)Cc2cccs2)cs1 72430865 OYQXISXPRYJQTE-LLVKDONJSA-N 310.444 2.023 0 50 DEAA O=C(CCSCc1ccccc1)N1CCC[C@](O)(CO)CC1 218952731 DQUJUPMRXJJCII-QGZVFWFLSA-N 323.458 2.046 0 50 DEAA CC(C)NS(=O)(=O)c1cc(C(=O)O)cc(-c2cccnc2)c1 71708154 HYTFNGDDSOCMFH-UHFFFAOYSA-N 320.370 2.134 0 50 DEAA O=C(C1=COCCC1)N1CCC[C@]1(CO)Cc1ccccc1 375468483 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323.352 2.177 0 50 DEAA CN(C)[C@H](C(=O)NCc1ccc(O)cc1)c1ccc(F)cc1 95362942 CBXXDPUPIJLVRM-INIZCTEOSA-N 302.349 2.450 0 50 DEAA COc1ccc2c(c1)cc(C(=O)NCCCn1ccnc1)n2C 91829997 DCQNGHFOIMDXHX-UHFFFAOYSA-N 312.373 2.204 0 50 DEAA COc1cccc(NC(=O)N2CCC(=O)NC[C@H]2C)c1Cl 96141894 LFJQPNUJOCMQDA-SECBINFHSA-N 311.769 2.091 0 50 DEAA COc1ccc(-c2cncc(C(=O)N3CC[C@H](CN)C3)c2)cc1 178534036 VIUVXVUMNCJNHF-CYBMUJFWSA-N 311.385 2.178 0 50 DEAA Cc1nc(N2CCC(n3cnnc3)CC2)c2sccc2n1 91643748 CGYMUSJOJBDKKR-UHFFFAOYSA-N 300.391 2.433 0 50 DEAA O=C(c1cc(-c2ccccc2)on1)N1CCC(F)(F)[C@@H](CO)C1 291387327 ZCEQRFWGGISTJI-GFCCVEGCSA-N 322.311 2.431 0 50 DEAA Cc1ccccc1-c1noc(-c2nc3c([nH]2)CCCNC3=O)n1 95506277 IGLLTRRYEKZKRC-UHFFFAOYSA-N 309.329 2.111 0 50 DEAA CCN(Cc1nncn1C(C)C)C[C@@H](O)c1cccc(O)c1 244646991 GTBZREMHZRDONI-OAHLLOKOSA-N 304.394 2.120 0 50 DEAA CCCOc1cccc(CCNC(=O)[C@@H]2C[C@H](C)CC(=O)N2)c1 293855855 ZEVSDPQBPUYTIA-BBRMVZONSA-N 318.417 2.049 0 50 DEAA CN(CCC[C@H]1CCCO1)C(=O)Cn1ncc2ccccc21 252486615 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315.373 2.337 0 50 DEAA O=C(NCc1cc2ccccc2[nH]1)N1CCC(n2cnnc2)CC1 426399395 KIFBYODYTNNDOW-UHFFFAOYSA-N 324.388 2.306 0 50 DEAA Fc1cc(F)c2nc(-c3cn(C4CCNCC4)nn3)[nH]c2c1 91657026 JPWWEBJPJMQQDU-UHFFFAOYSA-N 304.304 2.024 0 50 DEAA CC[C@H](NC(=O)Cc1c(F)ccc(F)c1F)[C@H]1C[C@H](O)C1 244872953 WHKAPLYIQGAYRR-RVBZMBCESA-N 301.308 2.312 0 50 DEAA Cc1nc(CCNc2cc([C@H]3C[C@@H](O)C3)ncn2)sc1C 244811468 SDHSLDFCKOGBDZ-TXEJJXNPSA-N 304.419 2.443 0 50 DEAA Cc1ccsc1CCNc1cc([C@H]2C[C@H](N)C2)nc(N)n1 244659565 HEXSQEFZSQASPE-XYPYZODXSA-N 303.435 2.288 0 50 DEAA CC[C@H](C)[C@H](CO)NC(=O)C1(c2ccccc2)CCOCC1 606440319 BPXNDDKDLKZNLN-HOCLYGCPSA-N 305.418 2.258 0 50 DEAA CCc1n[nH]c(SCC(=O)N2CCC[C@@H]2c2nccs2)n1 252509430 YNTKOJAYJWZZFB-SECBINFHSA-N 323.447 2.279 0 50 DEAA O=C(CCn1ccnc1)N[C@@H]1CCCN(Cc2ccccc2)C1 299549526 COFARAFQACSYSS-QGZVFWFLSA-N 312.417 2.054 0 50 DEAA COCCc1noc([C@@H]2CCCCN2Cc2cn(C)nc2C)n1 299778667 HOZRJLVESOXGME-AWEZNQCLSA-N 319.409 2.028 0 50 DEAA O=C(NC[C@H]1CCCN(Cc2ncc[nH]2)C1)c1cccs1 828187239 DGKKTINXTAJFSG-GFCCVEGCSA-N 304.419 2.113 0 50 DEAA Cc1ccn(CCC(=O)N2CCC[C@@H](Cn3ccnc3C)C2)n1 584902170 LQOFXGNMYBGBMN-INIZCTEOSA-N 315.421 2.025 0 50 DEAA C[C@@H]1C[C@@H](NC[C@H](c2ccco2)N2CCCC2)c2ncnn21 585134873 NJWFZFDXUZRMRQ-MGPQQGTHSA-N 301.394 2.304 0 50 DEAA CC(C)(C)OC(=O)c1cc(Br)cnc1C(=O)O 685944699 RJRTXWLPAKAFSE-UHFFFAOYSA-N 302.124 2.498 0 50 DEAA Cc1occc1C(=O)N1C[C@@H]2CC[C@H]1CN(C(=O)C1CCC1)C2 1565512279 YNFGJJAHCUZENG-HIFRSBDPSA-N 316.401 2.451 0 50 DEAA O=C(CC[C@@H]1CCOC1)N[C@H](CO)c1ccc(Cl)c(F)c1 165648746 BNAILAABOFUKAJ-QMTHXVAHSA-N 315.772 2.445 0 50 DEAA CC[C@@H](C)[C@H](NC(=O)c1ccc(C(=O)O)cn1)C(F)(F)F 630301075 CZGVPHZIKCRIDF-XCBNKYQSSA-N 304.268 2.487 0 50 DEAA COCCN(C)c1ncnc2c1cnn2-c1ccccc1F 585132979 LAZIZAWTXXPBCK-UHFFFAOYSA-N 301.325 2.037 0 50 DEAA Cc1cscc1C(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1 276469067 YTZSIUJVDHGSOC-RISCZKNCSA-N 305.403 2.440 0 50 DEAA CN(C)c1ncccc1O[C@H]1CCN(C(=O)NCCC2CC2)C1 276818119 XHDNCXJOPNWTNN-AWEZNQCLSA-N 318.421 2.110 0 50 DEAA COc1ccc2c(c1)OC[C@@H]2CC(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C 634028743 XZAMJPXNEIGWOE-MCYUEQNJSA-N 305.374 2.243 0 50 DEAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN[C@H](C)C1 188481135 FJZRXYXFEDSKEM-LLVKDONJSA-N 316.380 2.062 0 50 DEAA COc1ccc(S(=O)(=O)Cc2cccc3c2CCNC3)cc1 663379227 KEYVNEUKLXCASP-UHFFFAOYSA-N 317.410 2.315 0 50 DEAA CCNc1nccnc1N1CCN(c2ccccc2OC)CC1 647844556 JTHMUPCZVZTZNJ-UHFFFAOYSA-N 313.405 2.244 0 50 DEAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N(C)CC2CC2)cc1 195191821 FWXNPYRKEXZFKW-UHFFFAOYSA-N 313.357 2.361 0 50 DEAA COc1cc(C[C@@H](C)NCc2nncn2-c2ccccc2)ccn1 583651336 LEBXUQSGRCFPFV-CQSZACIVSA-N 323.400 2.392 0 50 DEAA C=CC(=O)Nc1ccc(C(=O)N2CCC(O)(C(C)C)CC2)cc1 1648002989 YJPDILYORNEZJL-UHFFFAOYSA-N 316.401 2.434 0 50 DEAA CC(=O)N[C@H](C(=O)Nc1nnc(SC(C)C)s1)C(C)C 1506415540 YTXLNLQOJJKLNV-VIFPVBQESA-N 316.452 2.138 0 50 DEAA CC[C@]1(O)CCN(C(=O)c2ccc3sccc3c2)C[C@@H]1O 219824147 RQKRMWBYEVPIRX-HOCLYGCPSA-N 305.399 2.249 0 50 DEAA CCOC1CCN(c2nnc([C@H](N)Cc3ccccc3)o2)CC1 1772709314 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C[C@@H]1C[C@H](N)CCN1C(=O)COc1cccc(C(F)(F)F)c1 237393619 VKVIJCKVHYZXQT-ZYHUDNBSSA-N 316.323 2.422 0 50 DEAA C[C@@]1(C(=O)O)CCN(C(=O)CCCOc2cccc(F)c2)C1 237522859 WHOSMXSTDINYPY-MRXNPFEDSA-N 309.337 2.308 0 50 DEAA O=C(O)[C@H]1CCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 238087124 GZYSXDVSWWXRGA-CYBMUJFWSA-N 319.748 2.215 0 50 DEAA CCN(CC)[C@@H](CNC(=O)c1c(Cl)cnn1C)c1ccco1 667355789 DCGJKZZFSNGEMQ-LBPRGKRZSA-N 324.812 2.479 0 50 DEAA CCc1cc(CNC(=O)[C@@H]2CCN(c3ccccc3F)C2)n[nH]1 810393696 JQXWSGGYNRDQOQ-GFCCVEGCSA-N 316.380 2.254 0 50 DEAA C[C@H]1C[C@H](NCC2CCN(c3ccncc3)CC2)c2ncnn21 925300692 OGHKFDXJUCXXPB-BBRMVZONSA-N 312.421 2.185 0 50 DEAA CCOc1cc(C(=O)N2C[C@H](C(=O)O)C3(CCCCC3)C2)on1 1875277710 ZWICCNWQKHXUMA-LLVKDONJSA-N 322.361 2.180 0 50 DEAA Cn1nc(C2CCCC2)cc1C(=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 1875309238 ZONINIOJMVURPF-ZNMIVQPWSA-N 317.433 2.311 0 50 DEAA O=C(O)c1ncoc1[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 1875300805 RCURUXNTWKSFDA-VXGBXAGGSA-N 304.346 2.435 0 50 DEAA COC(=O)/C=C/CCNC(=O)COc1ccc(Cl)c(C)c1 1875311629 HUVDHZBLJNOGBJ-HWKANZROSA-N 311.765 2.263 0 50 DEAA CC[C@@H]1CN(C)CCCN1C(=O)/C=C/c1ccc(C(=O)O)cc1 888095997 OZIMIVOSQASCIK-OJXHRBAXSA-N 316.401 2.341 0 50 DEAA Fc1cccnc1O[C@H]1CCCN(c2cccc3nncn23)C1 893547355 XHJUZTNSSLOSGP-LBPRGKRZSA-N 313.336 2.311 0 50 DEAA COC1CC(CS(=O)(=O)NCC2(Cc3ccccc3)CC2)C1 1775992355 YUNWOZLIGQEZEF-UHFFFAOYSA-N 323.458 2.354 0 50 DEAA Cc1cccc2ccc(C(=O)N3CCNC[C@@H]3c3cn[nH]c3)nc12 2325820828 IAYZCHHNJXDJCS-MRXNPFEDSA-N 321.384 2.053 0 50 DEAA COc1ccccc1OCc1ccc(C(=O)NCCN(C)C)o1 115387 MBOFDOGZVSMUEC-UHFFFAOYSA-N 318.373 2.159 0 50 DEAA CCOc1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12 334129 XRUMITZNXNMNGX-UHFFFAOYSA-N 321.398 2.259 0 50 DEAA COc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccco3)C2)c1 521787 IZHRUORSOZHRKA-AWEZNQCLSA-N 320.370 2.399 0 50 DEAA COCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl 2351391 HVKKLEKAFFLXJH-UHFFFAOYSA-N 305.161 2.085 0 50 DEAA O[C@H]1CCCN(c2ccnc(Nc3snc4c3CCC4)n2)C1 2356163628 LKPZJRAEJNWNPL-JTQLQIEISA-N 317.418 2.127 0 50 DEAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(N(C)C)ccn1)CC2 249129305 KYADKIUDJCPRID-HOCLYGCPSA-N 316.449 2.235 0 50 DEAA Cc1cc(C(=O)NC[C@H](O)c2nccn2C)c2cccc(C)c2n1 55401341 PLZWOKUODNYZEN-HNNXBMFYSA-N 324.384 2.049 0 50 DEAA CCOC(=O)c1coc(N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)n1 418887365 MWGJAEQIVAEHRB-WFASDCNBSA-N 319.405 2.304 0 50 DEAA Cc1cnc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)s1 100446730 NFVLZWAGENKRDR-UHFFFAOYSA-N 315.354 2.261 0 50 DEAA in-vitro CC1(C)C[C@H](C(=O)NCc2cccnc2-n2ccnc2)CCO1 67804212 MOOZEAFSCKOAHR-CYBMUJFWSA-N 314.389 2.089 0 50 DEAA COc1ccccc1CC(=O)N[C@@H]1CCOC2(CCOCC2)C1 215178947 JDHMWTOMDJURTB-OAHLLOKOSA-N 319.401 2.082 0 50 DEAA Cc1noc(-c2ccc(N3CCO[C@@H](C(F)(F)F)C3)nc2)n1 71763750 XWUBLCQKNDMVQY-SNVBAGLBSA-N 314.267 2.208 0 50 DEAA COCc1noc(CN2CCN([C@H]3C=CCCCCC3)CC2)n1 328848773 RDYWSWWHIYSLTR-HNNXBMFYSA-N 320.437 2.223 0 50 DEAA COc1cc(OC)c2ncnc(N3CC[C@@H](CCCO)C3)c2c1 450959699 LJRJIDKISKLGST-GFCCVEGCSA-N 317.389 2.246 0 50 DEAA COc1cc(F)c(C(=O)N2CCC[C@H]([C@@H](C)N)C2)cc1OC 156190191 NBTDVSGKAOYHNJ-MNOVXSKESA-N 310.369 2.042 0 50 DEAA Cc1n[nH]c(C)c1CCN(C)Cc1ccc(S(C)(=O)=O)cc1 215377286 XMMRHWCLEJFPIF-UHFFFAOYSA-N 321.446 2.105 0 50 DEAA Cc1cccc(C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)n1 262828081 FQAFUTXEDFNHHR-GJZGRUSLSA-N 310.353 2.330 0 50 DEAA O=C1[C@H](NC2CC(c3ccccn3)C2)CCN1CC(F)(F)F 377624347 LBPIOBKFIWAMQB-GCZXYKMCSA-N 313.323 2.080 0 50 DEAA CCn1cc(NC(=O)Nc2ccc(Cl)cc2)c(C(N)=O)n1 13331241 PMHDYMRQJFIUOW-UHFFFAOYSA-N 307.741 2.299 0 50 DEAA CN(Cc1ccncn1)c1cc(-c2ccncc2)nc2ccnn12 72454123 SQDPOIHZWPWDMB-UHFFFAOYSA-N 317.356 2.218 0 50 DEAA CC(C)(O)CCc1cccc(C(=O)N2CCCC[C@@H]2CO)c1 72428092 HXJRIVWKPZKEGP-MRXNPFEDSA-N 305.418 2.377 0 50 DEAA Cc1cnc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCO3)s1 175623785 BTOQDFWYEAGOPZ-SNVBAGLBSA-N 324.427 2.426 0 50 DEAA COC[C@H](NC(=O)c1scc2c1CCCC2)c1ccnn1C 220071882 CEPFLNOQOGYPJF-ZDUSSCGKSA-N 319.430 2.478 0 50 DEAA O=c1[nH]nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cccn12 45918727 COFUAXAFCGYALP-UHFFFAOYSA-N 313.704 2.393 0 50 DEAA CCc1cnc(N2CCN(c3nc(C)cc(OC)n3)CC2)s1 608091348 PCRSUCUPOKPGCB-UHFFFAOYSA-N 319.434 2.139 0 50 DEAA CCN(c1ccc(O)cc1)S(=O)(=O)c1ccc2c(c1)OCO2 225750175 SQFTXTKCWIXMKH-UHFFFAOYSA-N 321.354 2.336 0 50 DEAA COC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc2[nH]ccc12 223509767 DZBAJRHSMXOZKG-OAHLLOKOSA-N 315.373 2.405 0 50 DEAA COc1ccc2c3c1O[C@@]1(C)C[C@@H](O)C=C[C@@]31CCN(C)C2 227144317 DYZLZUBOHRETCR-DOPJRALCSA-N 301.386 2.240 0 50 DEAA CCSc1nc(CC(=O)NCCn2cnc(C)c2C)cs1 220483744 RYGNNQYXXBHUFS-UHFFFAOYSA-N 324.475 2.427 0 50 DEAA Cc1cc(C)n(-c2cccc(C(=O)N3CCc4[nH]cnc4C3)c2)n1 96160035 FOYDQOCJUKTYPC-UHFFFAOYSA-N 321.384 2.411 0 50 DEAA Cc1ncc(N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)nc1C 91894695 ZMBWNXDKFWPQAM-PXAZEXFGSA-N 305.422 2.097 0 50 DEAA COc1ncc(C)cc1NS(=O)(=O)c1ccc2c(c1)CCO2 176718120 IBYGTXABVDXBNI-UHFFFAOYSA-N 320.370 2.134 0 50 DEAA O=S(=O)(Cc1c(Cl)cccc1Cl)N[C@@H]1CCCNC1 237845452 NLQWBFPRDZAGMQ-SECBINFHSA-N 323.245 2.165 0 50 DEAA CC(C)Cc1noc(CN(C)C(=O)[C@@H]2CCCCCN2C)n1 95366881 SFQGNMWZRXUXJQ-ZDUSSCGKSA-N 308.426 2.101 0 50 DEAA CCC[C@]1(CO)CCN(C(=O)Nc2cc(C3CC3)n(C)n2)C1 289883895 RIYPOPWVWVCOHI-INIZCTEOSA-N 306.410 2.314 0 50 DEAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H]5[C@H](O[C@]2(C(C)C)[C@H]53)[C@H]4O)c1 230024739 XAWSDUKSJTXGLQ-KOCRSYKGSA-N 313.397 2.336 0 50 DEAA CN(CCNC(=O)c1ccc2c(c1)ncn2C)c1ccccc1 97797444 WXYPQAKOASXQBJ-UHFFFAOYSA-N 308.385 2.440 0 50 DEAA CCn1ncc(C)c1NC(=O)[C@@H]1CN(C)C(=O)c2ccccc21 618438561 SIGRHGDVPJGQEV-CQSZACIVSA-N 312.373 2.019 0 50 DEAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cncc(F)c1 252527562 CWNXISXLQNVQJI-KBRIMQKVSA-N 314.360 2.333 0 50 DEAA OC[C@]1(NCc2ccc(-c3ccncc3)cc2F)CCOC1 184193574 HWAGENYOPPJTMJ-QGZVFWFLSA-N 302.349 2.129 0 50 DEAA Cc1cn2nc(C(=O)Nc3ccc(F)c(C)c3)cc2c(O)n1 263616875 KZSUVJWHVLAQMZ-UHFFFAOYSA-N 300.293 2.443 0 50 DEAA Cc1cnc2c(S(=O)(=O)N3CC[C@H](N)C[C@H]3C)cccc2c1 299744579 SZGZBWMVFQKNDG-OCCSQVGLSA-N 319.430 2.044 0 50 DEAA 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CCOc1ccc(C)cc1S(=O)(=O)NCc1ccccn1 41095600 VCHPOBUBLWMCRT-UHFFFAOYSA-N 306.387 2.267 0 50 DEAA CCCc1nnsc1C(=O)N[C@@H](C)c1c(C)nn(C)c1C 222260920 KYESVMPQIGKJFE-QMMMGPOBSA-N 307.423 2.332 0 50 DEAA COc1cc(C(=O)O)cc(C(=O)NCCCc2nccs2)c1 426387825 SISUTMXPUGBYKM-UHFFFAOYSA-N 320.370 2.213 0 50 DEAA Cc1ccn2c(C(=O)NCCc3c(C)n[nH]c3C)c(C)nc2c1 426500341 WSTWLPZRAXZIFQ-UHFFFAOYSA-N 311.389 2.264 0 50 DEAA CN1[C@H]2CC[C@@H]1CN(Cc1cc(=O)c3cccc(F)c3[nH]1)CC2 91756114 UATXMKNVOBLYNV-UONOGXRCSA-N 315.392 2.336 0 50 DEAA O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(CC1CCCC1)C2 91974014 PPTBDYJCIGSEBS-HZPDHXFCSA-N 314.433 2.203 0 50 DEAA CCc1nc(CN(C)C(=O)Nc2cccc(N(C)C)c2)no1 95512938 JFBAXRCMVYQPJK-UHFFFAOYSA-N 303.366 2.362 0 50 DEAA CN1CCCC[C@H]1CCC(=O)N(CCO)Cc1cccs1 95368431 NPWSRRQFDYXOPS-AWEZNQCLSA-N 310.463 2.334 0 50 DEAA CN1CC[C@@]2(CCCN(C(=O)c3ccc4nccnc4c3)C2)C1 615624392 WVYNFRFCRKDKPS-SFHVURJKSA-N 310.401 2.188 0 50 DEAA CC1(C)CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@@]1(C)O 91535993 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Nc1nc(CCCNC(=O)NCCc2ccccc2)cs1 952985039 AKYOEVVFVZTZOU-UHFFFAOYSA-N 304.419 2.200 0 50 DEAA CNC[C@H]1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 269101873 DFAYWBMITYTYQI-IAQYHMDHSA-N 308.809 2.102 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 269213290 XFRPKQZPTXYZON-SECBINFHSA-N 320.345 2.496 0 50 DEAA O=C1N[C@@H](C2CCCCC2)C(=O)N1[C@@H]1CCCn2nccc21 630999065 SYSRWIAWUISFPA-KGLIPLIRSA-N 302.378 2.219 0 50 DEAA CCOc1nc(C)ccc1C(=O)Nc1c2c(nn1C)CCC2 276764906 MYNXENBIQCSYEH-UHFFFAOYSA-N 300.362 2.263 0 50 DEAA CC(C)=C[C@H]1[C@H](C(=O)NCCc2nnc(S)n2C)C1(C)C 170623372 VQRQDJHVALQIJT-CMPLNLGQSA-N 308.451 2.001 0 50 DEAA O=C(NCc1cc(-c2ccccc2)on1)c1cnc(S)[nH]1 170600243 LCRYMFJUFLCTCX-UHFFFAOYSA-N 300.343 2.283 0 50 DEAA Cc1nc(C(=O)N2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c(C)o1 585088072 JFZYXVJZINPWEE-MWLCHTKSSA-N 306.284 2.209 0 50 DEAA CCn1c(SCc2nc3ccccc3nc2C)n[nH]c1=O 192820375 KRVMNKVADBCQKA-UHFFFAOYSA-N 301.375 2.135 0 50 DEAA O=C(O)CCc1cccc(NC(=O)[C@]2(C(=O)O)CC=CCC2)c1 653280164 CDBDMJGYJKNHRM-KRWDZBQOSA-N 317.341 2.453 0 50 DEAA CCn1ccnc1[C@@H]1OCC[C@H]1CN[C@H](C)c1nccnc1C 658201546 OEJRVVKXPDUNMH-IJEWVQPXSA-N 315.421 2.430 0 50 DEAA CCCc1nc(-c2noc([C@@]3(C(C)C)CNC(=O)C3)n2)co1 1614998030 ZYCAXJVTSHYOJJ-OAHLLOKOSA-N 304.350 2.091 0 50 DEAA Cc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)ccn1C 1506414659 HUSVDHGZYAIRBQ-NSHDSACASA-N 313.357 2.330 0 50 DEAA Cc1cc(F)ccc1N1CCC(NC2(C(N)=O)CCCC2)CC1 1506398727 FQLUJRIGHAQCOC-UHFFFAOYSA-N 319.424 2.491 0 50 DEAA OC1(CNCc2ccccc2Br)CCOCC1 112717077 WBQYWOCXPIUMIJ-UHFFFAOYSA-N 300.196 2.080 0 50 DEAA O=C(Cc1ccc(O)c(F)c1)N1CCC[C@]2(CCC[C@H]2O)C1 1704338497 DCQHQFGZBACQNW-NVXWUHKLSA-N 307.365 2.227 0 50 DEAA Cc1ccc(Oc2ncccc2CNC(=O)Cn2ccnc2)cn1 12305341 SMMYPFCDASCTBN-UHFFFAOYSA-N 323.356 2.090 0 50 DEAA CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 15324945 ABSSNTJMWAQCNQ-LLVKDONJSA-N 310.419 2.063 0 50 DEAA COc1ccc(Cc2nnc(S)n2C[C@@H]2CCCO2)cc1 17031209 OTQZEPKNPCVDJS-ZDUSSCGKSA-N 305.403 2.345 0 50 DEAA COC(=O)c1cc(I)c(OC)cc1F 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318.808 2.350 0 50 DEAA CN(C)CCOc1cc(CNC(=O)N2CCCC2(C)C)ccn1 153686307 PSWHDBVDELEQSI-UHFFFAOYSA-N 320.437 2.106 0 50 DEAA Cn1cc(C(=O)N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cn1 377165372 OKCUDDGEMNEQQO-HNNXBMFYSA-N 309.291 2.409 0 50 DEAA CCOc1cc2c(cc1CNc1nccn(C)c1=O)O[C@H](C)C2 266136102 FNBZBAMVQBSPMN-LLVKDONJSA-N 315.373 2.115 0 50 DEAA O=C(C[C@H]1CCCN1)Nc1ccc(C(=O)Nc2cccnc2)cc1 164554357 WZVSWFSTNHSHOG-OAHLLOKOSA-N 324.384 2.415 0 50 DEAA O=C(O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C[C@H]1O 1704328052 XAOSOOQAOPCSKX-NWDGAFQWSA-N 304.173 2.261 0 50 DEAA Cc1ccc(CS(=O)(=O)N(C)Cc2ccc(C(=O)O)o2)cc1 926584878 NPMJMXUJUBGSKB-UHFFFAOYSA-N 323.370 2.248 0 50 DEAA Cc1nc(CN2Cc3ccccc3OC3(CCOCC3)C2)no1 932043938 YFNMHBNEQDIGLJ-UHFFFAOYSA-N 315.373 2.322 0 50 DEAA C[C@H](c1ccccc1)N(CC(N)=O)Cc1cc(Cl)n(C)n1 859199594 QBADOASQYCYYQB-LLVKDONJSA-N 306.797 2.122 0 50 DEAA O=C(NO[C@@H]1CCCCO1)[C@@H]1CC[C@H](Cc2ccccc2)O1 865079833 CNCKYDCEVMPZBU-OWCLPIDISA-N 305.374 2.351 0 50 DEAA 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Cc1nscc1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O 263494162 XLRCLBJPVUFNIK-ZDUSSCGKSA-N 304.371 2.219 0 50 DEAA O=C(CCc1ccc(F)c(F)c1)NCCN1CCCCC1=O 220263861 BQCRVZUHAMVNBL-UHFFFAOYSA-N 310.344 2.026 0 50 DEAA CCc1ccc(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)[nH]1 426545385 STLHBKXHYJPKNK-INIZCTEOSA-N 312.417 2.367 0 50 DEAA COc1cc(F)ccc1NC(=O)N[C@@H]1CCCn2ncnc21 175909901 APEIBLBKWAXYLO-LLVKDONJSA-N 305.313 2.082 0 50 DEAA COCCn1cc(NC(=O)N2Cc3ccccc3CO2)cn1 287150337 VWWPRYJPCJBSDG-UHFFFAOYSA-N 302.334 2.009 0 50 DEAA COc1ccc(-c2nc(C(=O)NC(C)(C)C(=O)O)cs2)cc1 237295371 HJRPBEFBWWGFSY-UHFFFAOYSA-N 320.370 2.412 0 50 DEAA O=C1NCCN(C(=O)c2ccc(Cl)o2)[C@H]1Cc1ccccc1 97528879 SVFABJSWQQGECP-LBPRGKRZSA-N 318.760 2.116 0 50 DEAA COC(=O)c1ccnc(-c2cc(C(=O)OC)cc(Cl)n2)c1 149420216 NZILXBMRZPHRNO-UHFFFAOYSA-N 306.705 2.370 0 50 DEAA O=C(c1ncc[nH]1)N1CCC(c2nccn2CC2CCC2)CC1 91757040 UXDAVFWCUAUBMN-UHFFFAOYSA-N 313.405 2.426 0 50 DEAA COC(=O)c1ccc2ccn(C[C@@H]3CCCCO3)c(=O)c2c1 95380578 OZXNETJEQLZEML-AWEZNQCLSA-N 301.342 2.357 0 50 DEAA CC(C)(C)c1oc(C(N)=O)cc1Cn1c(=O)[nH]c2ccccc21 95528460 FTKBJHLZLPTVAF-UHFFFAOYSA-N 313.357 2.367 0 50 DEAA CC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1 239309401 HONQEFYUORJRCP-NQLMQOPMSA-N 307.349 2.447 0 50 DEAA O=C(O)CCn1cc(CN2CCCC[C@@H]2c2ccccn2)cn1 97243766 WIECXIXYCQYUSY-MRXNPFEDSA-N 314.389 2.480 0 50 DEAA Cc1ccc(C)c2c(=O)cc(CN[C@H](C)c3ncnn3C)[nH]c12 91713030 MBTCSVDPIRLMPT-GFCCVEGCSA-N 311.389 2.124 0 50 DEAA CCc1c(C)nc(N)nc1N1CC(Oc2ccc(F)cc2)C1 95357327 JLTHZRYOUYCUBH-UHFFFAOYSA-N 302.353 2.336 0 50 DEAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc(O)c(F)c1 244734444 NFPQQKHGBUIYNK-MKBNYLNASA-N 316.332 2.168 0 50 DEAA CCc1nc(C(C)C)ccc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C 294221726 SLFGBNBDYNCDKA-SJORKVTESA-N 316.449 2.365 0 50 DEAA CCCc1c(NC(=O)CN(C)C)cnn1-c1cccc(F)c1 182916400 KDAKMOFJSBVKIH-UHFFFAOYSA-N 304.369 2.464 0 50 DEAA Cc1cccnc1C[C@@H](C)N(C)Cc1cnn(CCC(=O)O)c1 534634891 LQTHHIIDUVSPHW-CQSZACIVSA-N 316.405 2.124 0 50 DEAA O=S(=O)(CC1CCNCC1)c1cccc(Br)c1 380220075 VVVUHOLOYVIDEA-UHFFFAOYSA-N 318.236 2.222 0 50 DEAA c1ccc2c(-c3n[nH]c([C@H]4CCCCn5nnnc54)n3)c[nH]c2c1 820415063 YHQFNHRNQPMLFD-LLVKDONJSA-N 320.360 2.255 0 50 DEAA CCc1nc([C@@H](C)OC(=O)c2sc(COC)nc2C)n[nH]1 585136216 WNKGPCDNIGLOTL-MRVPVSSYSA-N 310.379 2.196 0 50 DEAA Cc1cc(C)c2c(c1)CN(C(=O)N[C@H](C)c1nncn1C)CC2 185964159 ZXFKDHYKASJAAK-CYBMUJFWSA-N 313.405 2.261 0 50 DEAA Cc1c(C(=O)N2CCC[C@@H](C(=O)O)C2)c(=O)oc2ccccc12 165534108 KAICSOFHGQFNIT-LLVKDONJSA-N 315.325 2.038 0 50 DEAA C[C@@H](C[S@@](C)=O)NC(=O)N(C)CC1(c2ccccc2)CC1 186636918 FGOLTKMIRVYCGR-YEJXKQKISA-N 308.447 2.127 0 50 DEAA COC[C@@H](O)CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1 170594075 NCTWZQRPBCGLBA-CYBMUJFWSA-N 305.403 2.060 0 50 DEAA Cc1noc(NS(=O)(=O)C2=Cc3ccccc3OC2)c1C 170608309 RCQCYMCINKNYML-UHFFFAOYSA-N 306.343 2.467 0 50 DEAA COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCc2c[nH]nc2C)c1 170606397 JEZHOOGMXOXQSI-ZFWWWQNUSA-N 315.373 2.155 0 50 DEAA 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CC(C)(C)OC(=O)N1CC[C@@H](Oc2ncccc2C(=O)O)C1 86003112 ZVZNJJHZMXHXCB-SNVBAGLBSA-N 308.334 2.168 0 50 DEAA in-vitro Fc1ccc([C@@H](CNc2ncc(F)cn2)N2CCOCC2)cc1 301808835 ZGSBXFVZVTVSAE-OAHLLOKOSA-N 320.343 2.240 0 50 DEAA CC1CCN(S(=O)(=O)N2CCC[C@H]2c2cccnc2)CC1 408146727 UFLZISJFXYDDFM-HNNXBMFYSA-N 309.435 2.195 0 50 DEAA CC(=O)N1CCCc2cc(NC(=O)CC(C)(C)C(=O)O)ccc21 170627455 HHDDSVYPBDCIRS-UHFFFAOYSA-N 318.373 2.425 0 50 DEAA CCn1cc(C2CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)cn1 187861823 LNLYXLMZKFEVGF-XJKSGUPXSA-N 305.422 2.424 0 50 DEAA Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1ccc(N(C)C)nn1 643894173 YMHAOAVZMBMNQE-CYBMUJFWSA-N 315.377 2.125 0 50 DEAA O=C(O)CC[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 195090882 YYAUESIONJRQKS-GFCCVEGCSA-N 313.357 2.347 0 50 DEAA CC(C)[C@H](NC(=O)c1nn(C)c2c1CCCC2)C1(CO)CCC1 580784518 XEGLGTQVUXTDSR-INIZCTEOSA-N 319.449 2.216 0 50 DEAA CCOc1ccc(C[C@H](CNC(=O)[C@@H]2C[C@H]2C)C(=O)O)cc1 583650646 XZXMLKPGHLNZBN-UXIGCNINSA-N 305.374 2.101 0 50 DEAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)C(F)=C(C)C)C1 583621144 CGXATKQCBSPFEU-UWVGGRQHSA-N 310.291 2.308 0 50 DEAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(C/C=C/C(=O)OCC)C1 756093714 OXCZLFFREPFNOW-PAVULQLHSA-N 310.438 2.123 0 50 DEAA O=C(C[C@]1(O)CCOC1)NCCCCc1ccc(Cl)s1 1615547694 CPAYWKRTAIEXHJ-CQSZACIVSA-N 317.838 2.382 0 50 DEAA CC(C)C[C@H](C)OC(=O)N[C@H](C)[C@H](CCC(=O)O)C(=O)O 1616037992 DEHLGURRCMWECY-AXFHLTTASA-N 303.355 2.101 0 50 DEAA Cc1ccc(-c2noc(C3CN([C@H]4CCOC4)C3)n2)cc1F 1616037492 LWSYEGVIGYCMBQ-ZDUSSCGKSA-N 303.337 2.372 0 50 DEAA Cc1cc(C)n(C[C@H](C)NCc2nc(-c3ccccc3)n[nH]2)n1 1506411811 URQALSJCDLCQJO-ZDUSSCGKSA-N 310.405 2.463 0 50 DEAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)N(C)Cc1nc(C(C)C)no1 1529181861 QUFIYUBTAJJPEX-UHFFFAOYSA-N 320.349 2.108 0 50 DEAA Cc1nc(CN(C)Cc2ncc(Br)cn2)oc1C 931869477 PFYWFDVGVZLIMR-UHFFFAOYSA-N 311.183 2.476 0 50 DEAA C[C@H]1OCC[C@@]1(O)CNC(=O)c1cc(Cl)ccc1Cl 228679258 DTAVYPLXHFWIMN-AMIZOPFISA-N 304.173 2.263 0 50 DEAA OC[C@]12CCOC[C@H]1CN(CCOc1ccc(Cl)cc1)C2 1772710196 SRVZONAWGGTGGH-CZUORRHYSA-N 311.809 2.050 0 50 DEAA CCCC(=O)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 13955157 IETNULCHFRVULZ-LBPRGKRZSA-N 316.357 2.200 0 50 DEAA CCn1nc([C@@H]2CCOC2)nc1-c1ccc2sc(=N)[nH]c2c1 1857673020 LUSBVZADYJHVEY-SNVBAGLBSA-N 315.402 2.491 0 50 DEAA CC(C)(C)[C@H](NCC(F)(F)F)c1nc(-c2nnc[nH]2)no1 120976434 ZAUWNWAKYRFPQG-ZCFIWIBFSA-N 304.276 2.094 0 50 DEAA CNC(=O)c1ccn([C@@H]2CCCN(CCc3cccs3)C2)n1 328634045 MKXJXCPTRUSJIH-CYBMUJFWSA-N 318.446 2.184 0 50 DEAA C[C@H]1CC[C@@H](CCC(=O)NCCc2ccc(C(=O)O)cc2)O1 237555522 RDEQTKJBYBZHPB-WFASDCNBSA-N 305.374 2.391 0 50 DEAA CC1=C(C(N)=O)[C@H](c2ccc(Cl)c(Cl)c2)N2NC=NC2=N1 13125243 PSTRAPBZZFQQOT-NSHDSACASA-N 324.171 2.012 0 50 DEAA CCC(CC)(CNC(=O)c1ccc2c(c1)CCOC2)C(=O)O 659139522 HTNPYFFDDNZFBV-UHFFFAOYSA-N 305.374 2.380 0 50 DEAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)[C@H]1CCc2cc(F)ccc21 663053829 FPINBDAZBKYZIO-UQOMUDLDSA-N 303.333 2.320 0 50 DEAA COc1cccc(NC(=O)N2CCN(c3ccccc3)CC2)n1 667336150 XMHIAWQPJQZQBH-UHFFFAOYSA-N 312.373 2.444 0 50 DEAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1scnc1C1CC1 252477985 ZBXPYXRICWUYNG-FIQHERPVSA-N 320.414 2.338 0 50 DEAA C[C@H]1COc2ccccc2CN1C(=O)c1cnn2cccnc12 360194841 OCESXRNBVLFIPQ-LBPRGKRZSA-N 308.341 2.153 0 50 DEAA COc1cc(C)ccc1OCC(=O)N1CCO[C@H](C2CC2)C1 364511632 ZIJUIZJJOBCAFK-INIZCTEOSA-N 305.374 2.020 0 50 DEAA O[C@H](CN1CC2(CCC2)[C@H]1[C@H]1CCCO1)c1ccc(F)cn1 810093935 QXDXVVYHNBPMIG-BZUAXINKSA-N 306.381 2.288 0 50 DEAA O=C(NC[C@H]1CCC2(CCC2)O1)c1cc(Br)n[nH]1 922221733 KMFFYGVFDVXIAS-MRVPVSSYSA-N 314.183 2.004 0 50 DEAA CS(=O)(=O)c1ccnc(NC(=O)NCC2CCC=CCC2)c1 932167557 XYJAALWJPUVWOS-UHFFFAOYSA-N 323.418 2.353 0 50 DEAA Cn1c(=O)n(CC(=O)Nc2cccnc2C2CC2)c2ccccc21 1119994611 GKEGXJCNYVAAQO-UHFFFAOYSA-N 322.368 2.251 0 50 DEAA O=C(NCc1cccnc1)N1Cc2ccccc2C[C@@H]1CCO 1875288772 COVPQWPNSVJQQY-KRWDZBQOSA-N 311.385 2.101 0 50 DEAA CC(C)(C)n1cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cn1 1875280920 GYJLXUDHIQSZET-UHFFFAOYSA-N 321.406 2.106 0 50 DEAA COC(=O)/C=C/CNC(=O)COc1cc(C)ccc1C(C)C 1875312230 XSEVTKJOGSRJHR-AATRIKPKSA-N 305.374 2.343 0 50 DEAA O=C1[C@@H](n2cc([C@@H](O)C3CC3)nn2)CCCN1c1ccccc1 881294261 VKZHWHKDSRQYEG-HOTGVXAUSA-N 312.373 2.090 0 50 DEAA COc1cnc([C@H]2CCCN2C(=O)CCc2ccco2)nc1O 889794710 ONMBUSJUDQJVDK-GFCCVEGCSA-N 317.345 2.080 0 50 DEAA O=C(C[C@@H]1C=CCC1)NS(=O)(=O)c1ccc2[nH]ccc2c1 1775992243 KJLXQPDRGVLRKS-LLVKDONJSA-N 304.371 2.329 0 50 DEAA CN(C)c1ccc(C(=O)N2CCC(F)(F)C[C@H]2C(=O)O)cc1 1777038967 PJFPLUZRMNLTGY-LBPRGKRZSA-N 312.316 2.077 0 50 DEAA O=C(NCc1cn(CC2CC(F)(F)C2)nn1)c1ccccc1 899733253 QWNLXEUHZOUPPF-UHFFFAOYSA-N 306.316 2.253 0 50 DEAA CCOC(=O)c1cn2c3c(c(F)c(F)cc3c1=O)OC[C@H]2C 361135 TZSXJUSNOOBBOP-SSDOTTSWSA-N 309.268 2.410 0 50 DEAA Cc1nc2ccccn2c1CN1CCO[C@@]2(COC(C)(C)C2)C1 2325772077 XELXPUILIVGVRB-GOSISDBHSA-N 315.417 2.413 0 50 DEAA Cc1c[nH]c2ncc(C(=O)N3CCN[C@@H](c4ccncc4)C3)cc12 2325780240 RTYJRHQSBGQRSU-MRXNPFEDSA-N 321.384 2.053 0 50 DEAA C[C@@H]1CN(C(=O)N[C@@H]2CN(C)C3(CCC3)C2)CC2(CCCC2)O1 2325781008 BJCJZRNCENUIQD-CABCVRRESA-N 321.465 2.356 0 50 DEAA C[C@H]1CC2(CCCC2)CN1C(=O)NC[C@@H]1C(=O)NCC[C@H]1C 2325784444 GDNJDXOSZUWNPV-RDBSUJKOSA-N 307.438 2.123 0 50 DEAA C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccc(O)c1 119486956 YPMARJLAJYKOAX-GFCCVEGCSA-N 320.414 2.233 0 50 DEAA O=C(c1cc(F)cc(Cl)c1)N1CCC[C@]12CCCNC2=O 2356141989 YVVCNFQDHGGCEX-HNNXBMFYSA-N 310.756 2.364 0 50 DEAA CCCCn1nnc(NC(=O)c2cc(Cl)ccc2OC)n1 9226411 ZULWKGAVYVREOQ-UHFFFAOYSA-N 309.757 2.388 0 50 DEAA CCN(CC)Cc1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 225504404 DSWPWPBCNHQWSG-CYBMUJFWSA-N 314.389 2.432 0 50 DEAA c1ccc(-c2ncn(C[C@H]3COCCO3)c2-c2ncc[nH]2)cc1 67562311 KPCRIEPBBBJNMZ-AWEZNQCLSA-N 310.357 2.356 0 50 DEAA COc1ccnc(C(=O)NCc2ccccc2-n2ccnc2)c1 116443544 BHGBJXBWJOEOHC-UHFFFAOYSA-N 308.341 2.206 0 50 DEAA CN1CCCCC[C@H]1C(=O)N(CCO)Cc1ccccc1F 65505759 JLDVZMGMGWBMKC-INIZCTEOSA-N 308.397 2.021 0 50 DEAA Cc1cc(C)c([C@H]2CC(=O)Nc3n[nH]cc32)cc1Cn1cncn1 65384637 WRFHTOQWRONISB-CQSZACIVSA-N 322.372 2.140 0 50 DEAA CNc1cc(C)nc(-c2cc(Cl)cc3c2O[C@@H](CN)C3)n1 67973565 ZKTKORDACHMVQT-LLVKDONJSA-N 304.781 2.409 0 50 DEAA Cc1ccccc1Cn1ccc(NC(=O)CCCC(=O)O)n1 999923 WXFBVICMXMPQGP-UHFFFAOYSA-N 301.346 2.433 0 50 DEAA Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCOCC2)CC1 2380878 NPVGWKHPJDCUOG-UHFFFAOYSA-N 323.824 2.223 0 50 DEAA Cc1n[nH]nc1C(=O)N(C)CCCOc1cccc(Cl)c1 189884127 XSJVATHFHMTRQC-UHFFFAOYSA-N 308.769 2.308 0 50 DEAA CNc1cc(N2CCC[C@@H]2CNC[C@H]2CC=CCC2)ncn1 122294951 OEUGUTFKGXVAMT-LSDHHAIUSA-N 301.438 2.433 0 50 DEAA O=C(c1c(F)cccc1Br)N1CCCNCC1 122325007 QQHDRTJCOUDCBI-UHFFFAOYSA-N 301.159 2.024 0 50 DEAA Cc1nnc([C@H]2CN(C(=O)c3coc4ccccc34)CCO2)o1 328614404 VXQFVEBKONOVRU-CQSZACIVSA-N 313.313 2.338 0 50 DEAA NC(=O)c1noc([C@H]2CCCN2Cc2coc3ccccc23)n1 328656501 ZJHPXWGZEXPMRN-GFCCVEGCSA-N 312.329 2.252 0 50 DEAA CS(=O)(=O)c1cnc(-c2ccccc2)nc1[C@@H]1CCCNC1 71576037 SIOHFRKKSVUXPT-CYBMUJFWSA-N 317.414 2.014 0 50 DEAA Cc1nc([C@H](C)n2ccnc2-c2cc3n(n2)CCNC3)cs1 72422478 UDZMEDJOWRGQRH-JTQLQIEISA-N 314.418 2.224 0 50 DEAA O=C(N[C@H](C(=O)O)c1ccc(Br)cc1)c1ccc[nH]1 362277685 LCWXCMNDQWOYLL-NSHDSACASA-N 323.146 2.333 0 50 DEAA COc1ccc(CC(=O)N2CCO[C@H](c3ccsc3)C2)nc1 366063821 ZIWDGVOUDSQYDB-HNNXBMFYSA-N 318.398 2.294 0 50 DEAA C[C@H](C(=O)Nc1ccccc1)N1CCC(Cn2ccnn2)CC1 155927570 TXROVFZFVWUCHZ-CQSZACIVSA-N 313.405 2.017 0 50 DEAA CN(Cc1cnn(-c2cccc(Cl)c2)c1)C[C@@H]1COCCO1 215659983 OSMCRHYPPFVHDO-MRXNPFEDSA-N 321.808 2.373 0 50 DEAA CC(=O)c1cc(C(=O)N2CC[S@](=O)C[C@H](C)C2)ccc1C 280208947 VUZNOCXNNGUKCE-FIKIJFGZSA-N 307.415 2.038 0 50 DEAA CC(=O)N1CCC(C(=O)NC2CCC2)(c2ccccc2)CC1 370263268 WGJVHGQOLDZHRE-UHFFFAOYSA-N 300.402 2.235 0 50 DEAA O=S(=O)(c1ccc(C2CC2)cc1)N1CCOCC2(CC2)C1 451387755 FWZSSSQLJZFZLS-UHFFFAOYSA-N 307.415 2.365 0 50 DEAA C[C@@H](C1CC1)n1cc(NC(=O)N[C@@H]2CCc3c[nH]nc3C2)cn1 333033457 REQRALGIEFQELV-GXFFZTMASA-N 314.393 2.256 0 50 DEAA O=C(c1ccncc1)N1CC[C@@H](Nc2ccc3ccccc3n2)C1 378159842 REGOCUMKZASTHH-MRXNPFEDSA-N 318.380 2.956 0 50 DEAA O=S(=O)(c1ccc2c(c1)COC2)N1CCCc2ncccc21 333435171 OJWQCHUDCMSCGX-UHFFFAOYSA-N 316.382 2.253 0 50 DEAA O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCC[C@H](n2ccnn2)C1 333585821 OLJLJUHMIYXIQC-IEZWGBDMSA-N 322.412 2.346 0 50 DEAA CC(C)C1(c2ccccc2)CN(C(=O)[C@H]2CCc3nncn3C2)C1 333983494 DQEMILRHYWMOSK-HNNXBMFYSA-N 324.428 2.277 0 50 DEAA CCO[C@@H]1C[C@H](N[C@]2(CO)C[C@@H](OCC)C2(C)C)[C@@H]1SC 241897392 TYJDPNMHYUJJGN-ADVQIIOHSA-N 317.495 2.051 0 50 DEAA C[C@H]1CN(CCC2CCN(CCn3ccnc3)CC2)C[C@@H](C)O1 131636493 QVMVDEPCYPZFMD-CALCHBBNSA-N 320.481 2.094 0 50 DEAA c1ccc(O[C@@H]2COCC[C@H]2NC2Cc3ccccc3C2)nc1 222480983 YMEOKAWUDGWBNG-QZTJIDSGSA-N 310.397 2.375 0 50 DEAA CCOc1ccc(C(=O)N2C[C@H](COC)OC(C)(C)C2)cc1 285653608 XVMWFDNGGJZOJE-OAHLLOKOSA-N 307.390 2.351 0 50 DEAA CN(Cc1cc(-c2ccncc2)no1)C(=O)C[C@@H]1CCOC1 426699880 GYYSMYXEEMYSOS-LBPRGKRZSA-N 301.346 2.122 0 50 DEAA CCc1c(C)nn(CCNC(=O)C[C@H](C)n2ccnc2)c1C 426552332 LQEIMNCIWGZVFV-LBPRGKRZSA-N 303.410 2.026 0 50 DEAA CN1C(=O)N[C@@H]2CN(C(=O)c3csc4ccccc34)CC[C@@H]21 286458165 UVCZBYJWBYTCRS-OLZOCXBDSA-N 315.398 2.139 0 50 DEAA CN1C[C@@H](c2ccccc2)CC2(CCN(S(C)(=O)=O)CC2)C1 95387669 NRLBWNSJIVJOTB-INIZCTEOSA-N 322.474 2.148 0 50 DEAA Cc1ccccc1CN(CCO)C(=O)CC[C@@H]1CCCN(C)C1 91289081 IKJVJKDGGASWTD-KRWDZBQOSA-N 318.461 2.438 0 50 DEAA CC(=O)N1CCC[C@H](c2nc(-c3ccc4nc[nH]c4c3)no2)C1 96138306 ISMZAIHCFIFBNB-LBPRGKRZSA-N 311.345 2.339 0 50 DEAA CC(C)Oc1cccc([C@H](C(=O)O)N(C)Cc2cc[nH]n2)c1 95380798 DSWCDUHYYINYKQ-OAHLLOKOSA-N 303.362 2.455 0 50 DEAA COC[C@H](NC(=O)c1cnc(-c2ccncc2)s1)C1CC1 178826993 OXEVIODQFCYNPW-LBPRGKRZSA-N 303.387 2.360 0 50 DEAA O=C(O)CCCC(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95387833 MUVVVIUZCHJFFM-CQSZACIVSA-N 319.357 2.346 0 50 DEAA CC(=O)c1cc(CC(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)cs1 91754844 GCGKDVCPAREQNE-HWPZZCPQSA-N 307.415 2.113 0 50 DEAA Nc1ncccc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 92065053 SGJDPULYBWOACU-FUHWJXTLSA-N 323.444 2.155 0 50 DEAA O=C(N[C@H]1CCCc2sc(Cl)cc21)c1ccc(=O)[nH]n1 292361494 LRSXPQRZQIFQNW-QMMMGPOBSA-N 309.778 2.292 0 50 DEAA O=c1c2ccccc2sn1Cc1noc([C@@H]2CCCO2)n1 95372898 WYEUSQXIMADZIE-JTQLQIEISA-N 303.343 2.346 0 50 DEAA COCCC[C@H]1CCCN(C(=O)c2cnc(SC)nc2)C1 91474676 SNDNTNCEXBXXNB-GFCCVEGCSA-N 309.435 2.477 0 50 DEAA O=C(CN1CCC[C@@H](c2ccccc2)C1)NC[C@H]1CCCOC1 244735124 NTEFYDFXRQQYBZ-SJLPKXTDSA-N 316.445 2.409 0 50 DEAA O=C(NCCc1nc2cc(Cl)ccc2[nH]1)[C@H]1CC[C@@H](O)CC1 244887902 YQGHILCRGMRRHB-KLPPZKSPSA-N 321.808 2.426 0 50 DEAA O=C(CCCc1ccccn1)N[C@H]1CCO[C@@H]1c1cccnc1 299743537 LEMJSZWQYZQWCJ-FUHWJXTLSA-N 311.385 2.446 0 50 DEAA CCOc1ccc([C@@H](C)NS(=O)(=O)N2CCCC2)cc1F 534582554 CDZYBPVFTKIOTA-LLVKDONJSA-N 316.398 2.216 0 50 DEAA Cc1nc2ccc(CC(=O)NCC3(CO)CCCC3)cc2[nH]1 534663988 QRRHVVXFFBVQJU-UHFFFAOYSA-N 301.390 2.083 0 50 DEAA Cc1cccc([C@@H](CN=c2nc(N(C)C)[nH]s2)N(C)C)c1 534590874 JYAQGLFUAZNMAX-CYBMUJFWSA-N 305.451 2.049 0 50 DEAA Cc1nc([C@H](C)NC2CCN(C(=O)c3cccs3)CC2)n[nH]1 822275536 DUOOTPAYGZIHIG-JTQLQIEISA-N 319.434 2.130 0 50 DEAA Cc1sc2ccccc2c1CN1CCO[C@@H](C(=O)N(C)C)C1 827790901 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CC(C)c1nc(CCNC(=O)[C@@H]2CCn3nccc3C2)cs1 1857730832 ZCUNKWYRMASFJI-GFCCVEGCSA-N 318.446 2.384 0 50 DEAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccn(C(C)C)n1 330863373 APTZXUNFQLFIJX-LLVKDONJSA-N 303.410 2.175 0 50 DEAA CC(C)CCn1ccc(NC(=O)N2CCC[C@](C)(O)CC2)n1 331509465 TYUBJJAQGJFVQF-INIZCTEOSA-N 308.426 2.698 0 50 DEAA COc1ccc(C[C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C(=O)O)cc1 652121071 UNCLBKIDABAQQH-BPUTZDHNSA-N 317.385 2.340 0 50 DEAA CSCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 247554438 WWYIHVYKESNCIW-CVEARBPZSA-N 304.459 2.472 0 50 DEAA COCc1cc(NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)cc(C(=O)O)c1 263043736 FAWIYJQUQFSBOQ-HZSPNIEDSA-N 305.330 2.037 0 50 DEAA CCn1ccnc1[C@@H](C)NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 496703484 RXIQMCIXHCRZEH-VXGBXAGGSA-N 322.409 2.090 0 50 DEAA Cc1c(O)nc2ccccc2c1C(=O)NC[C@@](C)(O)C(C)C 933836019 XUNJUAMBKAXZEI-QGZVFWFLSA-N 302.374 2.386 0 50 DEAA COc1cc(O)ncc1C(=O)NCc1ccn(C2CCCC2)n1 934962629 RLYVZWZCUXGSNZ-UHFFFAOYSA-N 316.361 2.037 0 50 DEAA Cc1[nH]nc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)c1Cl 952853115 NWMRZBLISYHXHG-BXKDBHETSA-N 323.784 2.211 0 50 DEAA Cc1nc(C(=O)OC[C@H]2CC3(CCC3)CO2)c2ccnc-2[nH]1 1875299422 KFUSAQKHUXUUEJ-LLVKDONJSA-N 301.346 2.334 0 50 DEAA C=CC(=O)N(C)CC(=O)N1CCCC[C@@H]1c1nc(C)c(C)s1 1875366826 ICKKKWHGGOCONT-CYBMUJFWSA-N 321.446 2.458 0 50 DEAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1Nc1ccnc2ncccc12 1875398157 DRIBQGPJZOXMGC-APHBMKBZSA-N 309.373 2.078 0 50 DEAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2cccc(F)c2Cl)cn1 886055075 PUXISBDYMPBJPW-GXTWGEPZSA-N 323.755 2.473 0 50 DEAA CN(Cc1cccs1)c1nc2ccccc2c(=O)n1CCO 891472453 QZUULZYMYNKMBF-UHFFFAOYSA-N 315.398 2.087 0 50 DEAA COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCC[C@H]1c1ccc(O)cc1 1776005375 DTDFUMITZKTGCC-DVOMOZLQSA-N 323.776 2.226 0 50 DEAA COC(=O)[C@@H](NC(=O)CSc1ccccn1)c1ccccc1 4694386 XXBSESYEDGWWRT-HNNXBMFYSA-N 316.382 2.204 0 50 DEAA Cc1ccc2nc(NC(=O)CSc3ncn[nH]3)sc2c1 13945810 PFMKALFZICICHP-UHFFFAOYSA-N 305.388 2.454 0 50 DEAA CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccs2)NC(=O)N1 441481 LZHIVXLPFINFLB-CYBMUJFWSA-N 305.403 2.389 0 50 DEAA COc1ccc(CC(=O)NC[C@H]2COc3ccccc3O2)cc1 464576 ZHQRTDNWFWQSPA-HNNXBMFYSA-N 313.353 2.194 0 50 DEAA COc1ccc(C2(C(=O)NC[C@@H]3CCCO3)CCOCC2)cc1 619844 BJONZHQKJMCVRF-INIZCTEOSA-N 319.401 2.039 0 50 DEAA biogenic COc1ccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCc3nccn3C2)cc1 248249110 OEAVRZZYRAMDGA-CWRNSKLLSA-N 311.385 2.126 0 50 DEAA Cn1cc(-c2nc(C(=O)NCC3(C)CCOCC3)cs2)cn1 346791460 PPQXBCQXHKPHOC-UHFFFAOYSA-N 320.418 2.090 0 50 DEAA CC1CCN(C(=O)c2cccc(NC(=O)CCC(=O)O)c2)CC1 20112848 UQUAWGAGQZABDT-UHFFFAOYSA-N 318.373 2.362 0 50 DEAA CCOc1ccccc1CN(C(=O)CN1CCCC1=O)C1CC1 55042634 MSHHEHUJOPVSOD-UHFFFAOYSA-N 316.401 2.199 0 50 DEAA Cc1cc(C)c(NC(=O)CN2CCN3CCC[C@H]3C2)c(C)c1 22032720 KKZQEWGFDVXFFS-INIZCTEOSA-N 301.434 2.330 0 50 DEAA CCc1ccc(CN2CCC[C@H](C(=O)N3CCCC3)C2)nc1 67847154 NFCCLGKPFZRNDU-INIZCTEOSA-N 301.434 2.478 0 50 DEAA COc1cccc(Cl)c1-c1nccc(N2CC[C@H](O)C2)n1 65459243 VABMGEYKCUSJAU-JTQLQIEISA-N 305.765 2.377 0 50 DEAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1 251861242 SENIZELHKATKSQ-SBJFKYEJSA-N 319.405 2.493 0 50 DEAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccncc1 252511352 FTPIMIIPBXSVTI-HLFMIMNKSA-N 323.462 2.303 0 50 DEAA O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1cc2nccnc2cc1F 253420287 GSHROJNFPWYBDN-SJORKVTESA-N 323.327 2.157 0 50 DEAA c1nc(NCCc2nccs2)cc(N[C@@H]2CCCOC2)n1 328648004 UGEGOBJNXLVUAY-LLVKDONJSA-N 305.407 2.179 0 50 DEAA C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)CC2CCCC2)CC1 253418097 JVJBTAZPMZYELT-GOEBONIOSA-N 322.449 2.053 0 50 DEAA CN(CCn1cccn1)C(=O)c1cccc(CCC(C)(C)O)c1 72439348 CYEHJRISJKDNRY-UHFFFAOYSA-N 315.417 2.359 0 50 DEAA O=C(NCc1cnn2ccccc12)c1cccc([C@H]2CCNC2)c1 72128090 AXBGCEGYNQAOLE-INIZCTEOSA-N 320.396 2.341 0 50 DEAA CO[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1(C)C 331741369 ASVAXZRBGMFGQG-YUMQZZPRSA-N 309.840 2.493 0 50 DEAA Cc1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)c(C)n1C(C)C 236706594 URCWDADORZNHLP-ZDUSSCGKSA-N 308.378 2.002 0 50 DEAA CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H]2CCOC2(C)C)C1 334072580 HWTJAGQBIAYRCR-KGLIPLIRSA-N 320.437 2.360 0 50 DEAA Cc1nc(C2CCCC2)sc1C(=O)N1CCO[C@@H](C(=O)O)C1 237613868 ZYQUIJWACBUASQ-LLVKDONJSA-N 324.402 2.035 0 50 DEAA Cc1ncsc1CCC(=O)N1CCO[C@H](C(F)(F)F)C1 71747285 HAUJOMJKYYNGGI-JTQLQIEISA-N 308.325 2.174 0 50 DEAA COc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)ccc1=O 44395113 OBWKADJASPNGHQ-SNVBAGLBSA-N 321.764 2.413 0 50 DEAA NC(=O)c1ccc(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)cc1 281806159 KVGDRMHXDDNSEH-SJORKVTESA-N 314.360 2.233 0 50 DEAA O=S(=O)(N[C@H]1C[C@@H]2OCC[C@H]12)c1cccc2ccccc12 220584815 DATHGPBJFWMDAC-ILXRZTDVSA-N 303.383 2.296 0 50 DEAA Cc1cc(NC(=O)C2=C(Cl)c3ccccc3S2(=O)=O)no1 45068979 OLEBJFLFFMZDMM-UHFFFAOYSA-N 324.745 2.316 0 50 DEAA Cc1ccc(C(=O)NCCc2cccc(C(N)=O)c2)c(F)c1 176382675 BKUAWEXPRGOCKY-UHFFFAOYSA-N 300.333 2.206 0 50 DEAA C[C@H](Cc1cnccn1)N(C)C(=O)c1onc2c1CCCC2 426358131 ARUFPOHPKQSXEW-LLVKDONJSA-N 300.362 2.047 0 50 DEAA Cc1cc(C)cc(CSCC(=O)NC[C@@H]2COCCO2)c1 221412641 OKWJDMGMBDRPJH-OAHLLOKOSA-N 309.431 2.068 0 50 DEAA Cc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)no2)n1C 20607985 ZRHSWFSMQINIED-UHFFFAOYSA-N 314.320 2.453 0 50 DEAA COCCN(CC1CC1)C(=O)c1cc(-c2ccccc2O)n[nH]1 91849309 IRRQYYBEEYGUOS-UHFFFAOYSA-N 315.373 2.281 0 50 DEAA CC(C)c1nc(CN2CCC([C@H](O)c3nccn3C)CC2)co1 97610130 MEPBCIRTVSIXSM-HNNXBMFYSA-N 318.421 2.477 0 50 DEAA CCN1C[C@H](c2nc(-c3cn4ccccc4n3)no2)CCC1=O 96138417 PVTVBPUVPKYWQK-LLVKDONJSA-N 311.345 2.110 0 50 DEAA Cc1ccccc1-n1cc(-c2nc3c([nH]2)CCCNC3=O)cn1 95357087 FMAAETBMBLEVEU-UHFFFAOYSA-N 307.357 2.247 0 50 DEAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1COc2ccccc2C1 91434758 PEGBDRAOWFSLSY-OAHLLOKOSA-N 313.401 2.327 0 50 DEAA O=C(NC1CC1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 91365122 JVKHCVCQIYOBCX-HNNXBMFYSA-N 300.402 2.136 0 50 DEAA COc1ccc(C2=NN(C(=N)N3CCCC3)CC2)cc1OC 96027848 DEUXMTQTOBKVSB-UHFFFAOYSA-N 302.378 2.144 0 50 DEAA CCn1nc(CCOC)nc1[C@H](c1cccc(C)c1)N(C)C 96149284 CPWJEYACGPQWIU-INIZCTEOSA-N 302.422 2.446 0 50 DEAA CN(Cc1ccc2nsnc2c1)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 97475449 MZIWXQBMVZNDLB-WDEREUQCSA-N 319.386 2.151 0 50 DEAA CN1CCN(C(=O)c2ccnc(-c3cccc(N(C)C)c3)c2)CC1 97609986 IKHXLGJXYSSBRV-UHFFFAOYSA-N 324.428 2.202 0 50 DEAA C[C@@H]1CCC[C@]1(O)CNC1CCN(Cc2ccccn2)CC1 293976609 KNZNMFQSBIQPKD-QAPCUYQASA-N 303.450 2.187 0 50 DEAA O=C(O)CN(C(=O)[C@H]1C[C@H]1C1CCCCC1)C1CCOCC1 299751141 PRCQPURUGKLQEW-GJZGRUSLSA-N 309.406 2.295 0 50 DEAA Cc1ccc(Br)c(C(=O)N[C@]23CCC[C@H]2CNC3)n1 1775787861 WQSBGVFNTDWXRX-HZMBPMFUSA-N 324.222 2.024 0 50 DEAA CO[C@H]1COC[C@@H]1NC(=O)NCc1ccc(Cl)cc1Cl 291262381 QWMXUQUEPGXYSU-RYUDHWBXSA-N 319.188 2.206 0 50 DEAA OC1(CNc2cc([C@@H]3CCOC3)ncn2)CCC(F)(F)CC1 299783428 YBIPJJUFNNBEDI-LLVKDONJSA-N 313.348 2.333 0 50 DEAA O=C(C[C@@H]1CNCCO1)NCc1ccc(-c2ccc(F)cc2)o1 299770571 VNCXDDGDIXMBRZ-OAHLLOKOSA-N 318.348 2.080 0 50 DEAA Cc1nn(C[C@H](C)NC2(C(N)=O)CCCCC2)c(C)c1Cl 821826790 GYGSASGIVSGLBL-JTQLQIEISA-N 312.845 2.320 0 50 DEAA O=C1N[C@H]2CCC[C@@H]1CN(CCCCOc1ccccc1)C2 670458637 PTZPLTNCMOCZRZ-CVEARBPZSA-N 302.418 2.446 0 50 DEAA CC(C)(C)N1C[C@H](C(=O)NCCSC(F)(F)F)CC1=O 915710882 WOCAJIKSZSASRI-MRVPVSSYSA-N 312.357 2.003 0 50 DEAA CCCO[C@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 952868230 GLAGATFHJYGYOG-HNNXBMFYSA-N 301.390 2.454 0 50 DEAA COc1cccc(OCCN2CCN(CC(C)(F)F)CC2)c1 1473830244 ROJRHTITKPVMAD-UHFFFAOYSA-N 314.376 2.347 0 50 DEAA Fc1ccc([C@H](CNc2ncc(F)cn2)N2CCOCC2)cc1 301808834 ZGSBXFVZVTVSAE-HNNXBMFYSA-N 320.343 2.240 0 50 DEAA O=C(O)COc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)cc1 630295793 VQXFOXXGHLRPPI-LLVKDONJSA-N 313.300 2.458 0 50 DEAA CCCN(CCC)C(=O)COC(=O)C[C@@H](CN)CC(C)C 408525693 VBBRJIDPPNVLFO-AWEZNQCLSA-N 300.443 2.189 0 50 DEAA Cc1nccn1-c1ccc(CNC(=O)[C@H]2CCCCN2)cc1F 166030627 XQLQXAFOASGGQK-OAHLLOKOSA-N 316.380 2.078 0 50 DEAA CCn1nc(CN2CCC(CC(=O)NC)CC2)c2ccccc21 274591385 PLCGBHCPPSNGGT-UHFFFAOYSA-N 314.433 2.404 0 50 DEAA CCOc1cc(NCc2cccc(OCC(=O)OC)c2)ncn1 274710271 TZNWRNCOJCZXKZ-UHFFFAOYSA-N 317.345 2.039 0 50 DEAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)C(F)=C(C)C)C1 583621146 CGXATKQCBSPFEU-ZJUUUORDSA-N 310.291 2.308 0 50 DEAA Cc1cc(C(=O)Nc2nncn2C)c2c(C(C)C)noc2n1 188803548 IHHQXHVWEKSBCE-UHFFFAOYSA-N 300.322 2.035 0 50 DEAA C[C@@H](CCO)NC(=O)C1=Cc2ccccc2O[C@H]1C(F)(F)F 585121962 HRTZCNHZDVYUBG-TVQRCGJNSA-N 315.291 2.280 0 50 DEAA O=C1C[C@@H](N[C@H]2CCCc3occc32)CN1CC(F)(F)F 193004882 CUBZQQDRPYLGDI-KOLCDFICSA-N 302.296 2.410 0 50 DEAA CCOC[C@H](O)COc1cc2oc(=O)cc(C)c2cc1CC 193823531 QZJZFTAHCIZDSV-ZDUSSCGKSA-N 306.358 2.440 0 50 DEAA Cc1nc(CC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)n[nH]1 669248032 WTNPZERXRNJWKQ-QMTHXVAHSA-N 302.353 2.404 0 50 DEAA CCC(=O)NCC(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 1614422333 HKZWFXAYOZRQAE-OAHLLOKOSA-N 300.402 2.309 0 50 DEAA CSc1ccccc1CC(=O)O[C@H]1[C@H]2OC(=O)[C@@H]3C[C@H]1C[C@H]23 1615571343 JMEDWHNPSVWDDR-LKWSVKKZSA-N 318.394 2.444 0 50 DEAA CCc1nc(CNC(=O)c2cc(-n3ccnc3C)ccn2)co1 1615566053 PQJZLFIZAGGHJK-UHFFFAOYSA-N 311.345 2.056 0 50 DEAA COC(=O)NCCN=[S@@](=O)(c1ccccc1)C(F)(F)F 1616041178 VBLLNCTZFZLEQR-HXUWFJFHSA-N 310.297 2.389 0 50 DEAA Cc1cnc([C@@H](C)NC2CCN(C(=O)c3cccnc3)CC2)[nH]1 1506418757 SNDNSLWXRUHFNK-CYBMUJFWSA-N 313.405 2.069 0 50 DEAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1CC[C@H](N)C1 216738603 FWVZWWABDZTHLG-GJZGRUSLSA-N 312.417 2.028 0 50 DEAA O=C(O)[C@H]1CN(CC2CCC2)C[C@@H]1c1ccc2c(c1)OCO2 211973734 OYDXLWXNBJRDOI-KGLIPLIRSA-N 303.358 2.315 0 50 DEAA C[C@@H]1CN(C)CCN1C[C@@H](O)c1cccc(Br)c1 229807385 BCEYLZKFPCHQHJ-BXUZGUMPSA-N 313.239 2.118 0 50 DEAA Cc1cccc(N2CCN(CC[C@@H]3COCCO3)CC2)c1C 1775979258 ZCBQAVGQBIDRSZ-QGZVFWFLSA-N 304.434 2.231 0 50 DEAA CCCCCCn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C 12647569 IVOYHXYPXRSSNJ-UHFFFAOYSA-N 310.423 2.116 0 50 DEAA CSCC(=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 15077545 AWVBMBJKQFULQU-CYBMUJFWSA-N 314.414 2.395 0 50 DEAA CC[C@H](Oc1ccc(OC)cc1)C(=O)NC1CCN(C)CC1 16580797 IJKBOBOXKRFRQR-INIZCTEOSA-N 306.406 2.063 0 50 DEAA CN(CCc1ccccc1)c1cnn(Cc2ccccn2)c(=O)c1 19782226 FXTJMFJSQCHRLM-UHFFFAOYSA-N 320.396 2.366 0 50 DEAA CCCCN1CC[C@@]2(C1)Cn1c(nnc1-c1cc(C)no1)CO2 1857705895 ZPBKBIIIUYFJFD-MRXNPFEDSA-N 317.393 2.016 0 50 DEAA Cc1nc([C@H]2C[C@H](N)[C@@H](O)C2)n(-c2ccc(C(C)C)cc2)n1 1857736148 NEKWMDWWFCPSSF-BPUTZDHNSA-N 300.406 2.265 0 50 DEAA COC(=O)[C@H]1CCc2nnc(COc3ccc(Cl)cc3)n2C1 601045289 UYBOXOGCUDHNOL-JTQLQIEISA-N 321.764 2.246 0 50 DEAA O=C(C[C@H]1COC(=O)C1)NC1(Cc2cccc(Cl)c2)CC1 408520549 LENWJCRNLQEHDJ-GFCCVEGCSA-N 307.777 2.485 0 50 DEAA CCN1CCN(C(=O)[C@H](C)c2cccs2)C[C@H]1c1ncc[nH]1 328641885 YFHRTPHTDCOHCJ-OLZOCXBDSA-N 318.446 2.480 0 50 DEAA N[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 237942594 KGZBPZDYQQHXDB-KZNAEPCWSA-N 316.445 2.364 0 50 DEAA Cc1nc(C)c(C(=O)N2CCC[C@]2(CO)CC(C)C)nc1C 240626822 HJGHCQLCUCKCGD-QGZVFWFLSA-N 305.422 2.415 0 50 DEAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCCOC1 245339051 QFDRAEDWYGEULB-KBAYOESNSA-N 316.445 2.440 0 50 DEAA CCOc1cc(N2CCC[C@@H]2CN(C(C)=O)C2CC2)nc(C)n1 663848547 ISRWCHPCWXEQAM-OAHLLOKOSA-N 318.421 2.163 0 50 DEAA CC(C)CCN1CCNC(=O)[C@H]1CC(=O)N1CCCCCCC1 14981644 TVLAVVRSCPXKTL-MRXNPFEDSA-N 323.481 2.016 0 50 DEAA COCCN(C(=O)c1cnn2ccncc12)[C@H]1CC[C@@H](C)C1 252488352 IPZMCWVJBQLEQH-OLZOCXBDSA-N 302.378 2.007 0 50 DEAA CC(C)(C)Oc1cccc(CNC(=O)[C@@](C)(O)C2CCC2)n1 486916069 ZIFIMRCCMDPBBT-KRWDZBQOSA-N 306.406 2.426 0 50 DEAA COc1ccc(OC)c(COC[C@@H](O)CN2CCCC[C@H]2C)c1 35052942 YIDIYJZNRWHQRF-ZBFHGGJFSA-N 323.433 2.456 0 50 DEAA c1ncn(CCSc2n[nH]c(-c3ccc4c(c3)CCC4)n2)n1 266038294 WXKFZQGRRZUDOW-UHFFFAOYSA-N 312.402 2.344 0 50 DEAA CC(C)N1CCC[C@@H]1C(=O)Nc1cccc2c1CCN(C)C2=O 825381976 HGARZIAJXYONQS-MRXNPFEDSA-N 315.417 2.126 0 50 DEAA Cc1cc([C@H](C)NC(=O)[C@H](N)Cc2n[nH]c3ccccc23)ccn1 1875293924 HWBILRUVYLPBGA-SWLSCSKDSA-N 323.400 2.014 0 50 DEAA O=C(O)C12CC(C(=O)N3CCC[C@H]3c3ccc(O)cc3)(C1)C2 1875394182 XPACZCGZWXGRLL-IGEOTXOUSA-N 301.342 2.311 0 50 DEAA O=C1CC[C@](CN=c2cc[nH]c3cnccc23)(c2ccccc2)N1 1875349610 DTLZPDFAOYUUNW-IBGZPJMESA-N 318.380 2.269 0 50 DEAA CCC[C@H](C)[C@H](CO)NC(=O)c1ccc2c(c1)COCCN2 1875318658 KRMNGAAGBVODRS-LRDDRELGSA-N 306.406 2.156 0 50 DEAA Cc1oc(C(C)(C)C)cc1CN1CCC[C@H](S(N)(=O)=O)C1 893572397 GWLCSVSXJIDOIJ-ZDUSSCGKSA-N 314.451 2.138 0 50 DEAA C[C@H]([C@@H](F)C(=O)NCc1ncc(Cl)n1C)C(F)(F)F 1775989345 LGVBMQNTQNNOIN-SVGQVSJJSA-N 301.671 2.226 0 50 DEAA Cn1cc(CCNc2ccnc(C(=O)N3CCCCC3)c2)cn1 1775994550 XFVZKWIWRDPKOE-UHFFFAOYSA-N 313.405 2.096 0 50 DEAA O=C(NCc1cn([C@@H]2CCCCC[C@H]2O)nn1)c1ccccc1 899724532 HXOBEUQHXULPIC-HZPDHXFCSA-N 314.389 2.074 0 50 DEAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccn1 110075 QTKPLCMARUSJFJ-UHFFFAOYSA-N 316.357 2.005 0 50 DEAA COc1ccc(NC(=O)c2ccc(C(=O)O)cc2C(=O)O)cc1 168167 ODPKAYDGXBEOJX-UHFFFAOYSA-N 315.281 2.344 0 50 DEAA CCOC1CC(N2C(=O)Nc3cc(C)ccc3S2(=O)=O)C1 865383240 MTCZOPZEDWBRGR-UHFFFAOYSA-N 310.375 2.099 0 50 DEAA CCOC(=O)CNc1nc(Cl)nc(Nc2ccccc2)n1 290771 VQALTHWTZNBRQE-UHFFFAOYSA-N 307.741 2.244 0 50 DEAA O=C(O)CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 3394252 WATMKOQCBUNILJ-UHFFFAOYSA-N 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O=C(Nc1ccc2oc(=O)[nH]c2c1)c1nn[nH]c1-c1ccccc1 170607908 DTPGKOOITKIMBV-UHFFFAOYSA-N 321.296 2.159 0 50 DEAA Cc1ccn(C)c1C(=O)NC1CCN(Cc2ccncc2)CC1 189059143 OAASMLYJEXXREO-UHFFFAOYSA-N 312.417 2.123 0 50 DEAA COc1ccc(-c2cn(C[C@]3(O)CCCOC3)nn2)c(Cl)c1 641217608 PROWPIHINUHHCK-OAHLLOKOSA-N 323.780 2.149 0 50 DEAA C[C@@H]1CCN(Cc2c[nH]c(-c3ccccc3)n2)CCS1(=O)=O 192048688 MDTKJBXVOLGSQB-CYBMUJFWSA-N 319.430 2.086 0 50 DEAA Cc1nc(C(=O)N2CCCC[C@@H]2[C@H](O)C(F)(F)F)c(C)o1 585088071 JFZYXVJZINPWEE-KOLCDFICSA-N 306.284 2.209 0 50 DEAA CC[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H](N)CC(F)F 649348216 DGNNPMRFOKEJPH-STQMWFEESA-N 311.376 2.226 0 50 DEAA O=C(N[C@@H]1CCCC12OCCO2)c1cc(F)c(F)c(F)c1F 585128362 ZIFQOJXLBKIJIU-SECBINFHSA-N 319.254 2.268 0 50 DEAA O=C([C@@H]1C[C@]12CCCNC2)N1CCC(Cc2cccnc2)CC1 655468919 CYWFSJUUUUEGOI-HKUYNNGSSA-N 313.445 2.252 0 50 DEAA O=C(CS(=O)(=O)Cc1ccccc1)N1CCc2ccccc21 620835 ACSUAUYJRXGAMF-UHFFFAOYSA-N 315.394 2.191 0 50 DEAA Nc1nc2c(c(C(=O)N3CCC[C@H]3c3cccnc3)n1)CCCC2 1506398616 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C[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)Oc1cccnc1 219918107 FTDFUFQUBHUOBI-ZDUSSCGKSA-N 324.384 2.474 0 50 DEAA CCCNc1ncc(-c2nccn2-c2cncc(C(=O)O)c2)cn1 77505064 FNBAXUSICDRWOG-UHFFFAOYSA-N 324.344 2.244 0 50 DEAA O=C(O)[C@H]1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 238102385 ZCSGXNHRRWAATD-JTQLQIEISA-N 319.748 2.072 0 50 DEAA COC[C@H]1CN(Cc2coc(-c3ccc(F)cc3)n2)CCO1 172894122 GZVRRRNBXKFZAM-OAHLLOKOSA-N 306.337 2.328 0 50 DEAA CC[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1noc(C)n1 242339317 ZGUWARKWFLGSAO-YVECIDJPSA-N 320.393 2.086 0 50 DEAA C[C@@H]1CN(C(=O)c2ccccc2Cc2ccccc2)C[C@H]1C(N)=O 284844410 DFOBODKLLQLTGT-RDTXWAMCSA-N 322.408 2.471 0 50 DEAA O=C(NC1CCC(C(=O)O)CC1)c1ccnn1-c1ccccc1 263375852 ATPPHENINZCGQO-UHFFFAOYSA-N 313.357 2.246 0 50 DEAA O=C(CCCn1cccn1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 222286752 QTNNSFDASBSDLV-HPBDAGMYSA-N 317.433 2.373 0 50 DEAA Cc1ccc(C2(C(=O)N[C@H](C)c3nc[nH]n3)CCOCC2)cc1 175938774 DMCCLOZULVMLBT-CYBMUJFWSA-N 314.389 2.039 0 50 DEAA CCCc1cc(C(=O)N2CCC(N3CCSCC3)CC2)no1 82098086 KHLVPVQPWRMWQE-UHFFFAOYSA-N 323.462 2.281 0 50 DEAA COc1cc(OC)c(CN2CCC(OC)CC2)c(C(=O)O)c1 97775685 SCQUPLIYAGUNGF-UHFFFAOYSA-N 309.362 2.013 0 50 DEAA Cc1nc(C2CCN(Cc3n[nH]c(C)c3Cl)CC2)cc(=O)[nH]1 97087994 WEALLABJXWJABM-UHFFFAOYSA-N 321.812 2.143 0 50 DEAA c1ccc(N2CCOCC2)c(-c2nc([C@@H]3CCOC3)no2)c1 96140450 GQTMUJXEDDGIBF-GFCCVEGCSA-N 301.346 2.077 0 50 DEAA CCC(CC)NC(=O)[C@H](c1ccccc1)N1CCC(O)CC1 179385050 PFDIATCIEHDATG-KRWDZBQOSA-N 304.434 2.489 0 50 DEAA CC[C@@]1(CO)CCCN(C(=O)CCc2ccc3c(c2)OCO3)C1 91664459 ANACRDULRUVDNZ-GOSISDBHSA-N 319.401 2.359 0 50 DEAA OCC[C@@H]1CN(Cc2ccon2)CCN1CC1CCCCC1 23358389 LVSAAUPSMIQRIO-QGZVFWFLSA-N 307.438 2.124 0 50 DEAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(F)ccc1C)C2 91914707 NTWIKYYFPIQJPQ-GDBMZVCRSA-N 320.408 2.317 0 50 DEAA CN(CCc1ccccc1)C(=O)Cn1ccc2ncccc2c1=O 95529708 HMXDPIRUCFPIGH-UHFFFAOYSA-N 321.380 2.098 0 50 DEAA O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)[C@H]2C=C[C@H]1C21CC1 257371678 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Cc1nc(C2CCC2)nn1Cc1nnc([C@@H]2CCCOC2)o1 643647911 DNIYGSCDOSDBQI-GFCCVEGCSA-N 303.366 2.179 0 50 DEAA Cc1nccc(CCC(=O)N[C@@H]2c3ccc(F)cc3O[C@@H]2C)n1 581326472 FHKVJXSQZPTXCR-QGHHPUGFSA-N 315.348 2.495 0 50 DEAA Cc1cnc(NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)nc1C 583618147 FYGSKWFSKREPPM-GOEBONIOSA-N 314.437 2.322 0 50 DEAA C/C(=C\c1ccccc1)CN1CN(CCN(C)C)C(=O)[C@@H]1C 648064852 NBCAYBVFWNSPGP-STTHAQSSSA-N 301.434 2.142 0 50 DEAA CCO[C@H](CNC(=O)NC1CCC(O)CC1)c1ccccc1 193335550 SNLDJAAUBWOVGA-UYSNPLJNSA-N 306.406 2.367 0 50 DEAA CC(C)O[C@]1(Cn2nnnc2/C=C/c2ccccc2)CCOC1 657253869 HTJZRTOKDGHJGY-IJDCCNJMSA-N 314.389 2.428 0 50 DEAA C=CC(=O)Nc1cccc(C(=O)N2CC(C)(C)OC[C@@H]2C)c1 867783463 PFGZCJFMPDHPMP-LBPRGKRZSA-N 302.374 2.451 0 50 DEAA O[C@H]1CN(Cc2cccc(Cl)c2)C[C@@H]1Cc1cnccn1 1613881955 NJGWDTCOTSHWQE-BBRMVZONSA-N 303.793 2.165 0 50 DEAA CCCCC[C@@H](C)NC(=O)N[C@@H]1COCCC1(OC)OC 1615058192 MFBLHQRGQSNZDS-CHWSQXEVSA-N 302.415 2.032 0 50 DEAA CN(CC[C@H]1CCS(=O)(=O)C1)Cc1cccc2cnccc12 1506408561 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N[C@H]1CCN(C(=O)c2c[nH]nc2-c2ccc(F)c(Cl)c2)C1 237842245 PMQJHLBAHSOOQT-VIFPVBQESA-N 308.744 2.042 0 50 DEAA CC(C)[C@@]1(O)CN(C(=O)c2ccc3c(c2)CCCO3)C[C@@H]1C 248161637 HJIXDUITIVGPHE-UGSOOPFHSA-N 303.402 2.491 0 50 DEAA C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 253370704 VAKNKEQHCZLODK-QCEMKRCNSA-N 304.390 2.383 0 50 DEAA C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)C[C@@H](C)N1 153545503 AEMMLUAJOLOHEF-ZIAGYGMSSA-N 320.408 2.083 0 50 DEAA CCc1cccc(C(=O)N2CCc3occc3[C@@H]2C(=O)O)n1 910203175 RBNPVFMQQDQGHL-CQSZACIVSA-N 300.314 2.061 0 50 DEAA CN=c1[nH]c(N[C@H](CO)c2ccc(C(C)C)cc2)ncc1F 1875287867 DIHPAPLIAILZDI-CQSZACIVSA-N 304.369 2.348 0 50 DEAA CN(Cc1ccno1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1875347190 KFTXJOSSJZATTQ-LBPRGKRZSA-N 309.366 2.033 0 50 DEAA CN1C(=O)C[C@@H](CNC2Cc3ccccc3C2)[C@@H]1c1ccncc1 886059627 HSSKSWGCQLZOSM-PXNSSMCTSA-N 321.424 2.358 0 50 DEAA Cc1ccc(N2CCCC2)c(C(=O)Nc2cc(CO)nn2C)c1 1775996975 OSFPFIRVSNBIMF-UHFFFAOYSA-N 314.389 2.073 0 50 DEAA COc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 85166 NZXBKWOSWMJWTE-UHFFFAOYSA-N 323.352 2.352 0 50 DEAA C[C@H]1CN(C2CC2)CCN1C(=O)c1ccc(-c2cc[nH]n2)cc1 2100545601 YKXSAOSCBLIGPO-ZDUSSCGKSA-N 310.401 2.385 0 50 DEAA CC[C@@H](CC(=O)Nc1ncc(C2CCNCC2)s1)C(=O)O 2325806776 GCKWWVOIAFIJCJ-VIFPVBQESA-N 311.407 2.050 0 50 DEAA Cc1[nH]c(=N)[nH]c(=NC[C@@H](O)c2cc3ccccc3s2)c1C 2325859347 WKWYMXAQWIKEMT-GFCCVEGCSA-N 314.414 2.288 0 50 DEAA Cc1ccc(-n2ccnc2)c(C(=O)N(C)CCc2cnc[nH]2)c1 2325865389 AOJDMEJXIZKEQG-UHFFFAOYSA-N 309.373 2.219 0 50 DEAA O=C(N[C@@H]1c2cccc(O)c2C[C@@H]1C(=O)O)c1ccc(Cl)[nH]1 2325873359 FDUCIXRQHIFVJS-TVQRCGJNSA-N 320.732 2.102 0 50 DEAA Cc1cc(C(=O)N[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)nn1[C@@H](C)C1CC1 923192285 LCYGEXWBRGQRLR-FRVYIDGWSA-N 317.389 2.002 0 50 DEAA C[C@H](C(=O)OC[C@H]1CCCCO1)N1Cc2ccccc2C1=O 923643446 BRVVBHNAFTXDTL-TZMCWYRMSA-N 303.358 2.143 0 50 DEAA O=C(N[C@H](C(=O)O)c1ccc(O)cc1)OCc1ccccc1 1435891 CGDQNVNWDDEJPY-AWEZNQCLSA-N 301.298 2.444 0 50 DEAA CN1CC[C@H](O)[C@@]2(CCCN(C/C=C/c3ccccc3)C2)C1 2356139344 PNOVDXPYPYJZEG-FQMXMGHCSA-N 300.446 2.478 0 50 DEAA O=C(CCc1cc(Cl)no1)N[C@H]1CC[C@@H](C(=O)O)CC1 2356139715 IOYVXEAAPZCCQO-DTORHVGOSA-N 300.742 2.020 0 50 DEAA COc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O 4121150 OMEPPALKGMQEQF-UHFFFAOYSA-N 315.354 2.325 0 50 DEAA O=C(O)[C@@H]1[C@@H](C(=O)NCc2cccc(Cl)c2)[C@H]2C=C[C@H]1C2 100798601 XVVWNLCXRSGHSB-IMIFBBOLSA-N 305.761 2.479 0 50 DEAA CC(C)CN(Cc1cnn(C)c1)CC(C)(C)CN1CCOCC1 55284358 SSESKJCFQVBNCI-UHFFFAOYSA-N 322.497 2.237 0 50 DEAA C[C@H]1CCCCN1C1CN(Cc2ccc(S(C)(=O)=O)cc2)C1 65372062 XKNGNJSDGZSVSR-AWEZNQCLSA-N 322.474 2.149 0 50 DEAA Cc1[nH]c2ccccc2c1CC(=O)N1CCOC[C@@H]1C[C@H](C)O 137206294 JSHKUKOWHCSWMP-JSGCOSHPSA-N 316.401 2.017 0 50 DEAA CC1=NN(C(=O)c2cccc(N(C)C)c2)[C@](O)(C(F)(F)F)C1 373678 CMPYKUIPIASFAS-CYBMUJFWSA-N 315.295 2.225 0 50 DEAA CNc1nnc(CCn2nc(C)c(Br)c2C)s1 2772085 QXXXAPQXPJBEAA-UHFFFAOYSA-N 316.228 2.398 0 50 DEAA CN1C(=O)C[C@@H](c2c[nH]c3ccc(Br)cc23)C1=O 34530250 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Cc1ccc(-n2cccn2)c(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)c1 825159230 VSQMYIWXMKGTMM-AMBYYYRHSA-N 308.429 2.363 0 50 DEAA O=C(NCC1(N2CCOCC2)CCCCCC1)C1CC=CC1 584889290 FPRUGLOURCFCQE-UHFFFAOYSA-N 306.450 2.494 0 50 DEAA O=c1c2ncccc2ncn1[C@@H]1CCCN(Cc2cccnc2)C1 584893037 ZCMWRKBVKITMMV-OAHLLOKOSA-N 321.384 2.024 0 50 DEAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cc(-c2ccncc2)[nH]n1 584895720 WYGDRNKPFXBNPK-SECBINFHSA-N 310.361 2.303 0 50 DEAA CCCc1nnc(N2CCN(CC(C)C)[C@@H](CCO)C2)s1 670456215 QVDFXCFMCTXIAE-ZDUSSCGKSA-N 312.483 2.020 0 50 DEAA Cc1ccsc1C(=O)N1CCCN(C(=O)c2cc[nH]c2)CC1 940073252 IJFPBLRVWAROFM-UHFFFAOYSA-N 317.414 2.373 0 50 DEAA CNC(=O)CCc1ccccc1NC(=O)c1nn(C)cc1Cl 952986411 DTIPKUBMBWMSFS-UHFFFAOYSA-N 320.780 2.004 0 50 DEAA CC(C)(C)n1ncc2c(NCc3cccc(C(N)=O)c3)ncnc21 301881907 KIUOWEAVIKMABE-UHFFFAOYSA-N 324.388 2.292 0 50 DEAA Cc1cscc1C(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 276352569 HUUQKPRJZYFHOZ-CQSZACIVSA-N 308.447 2.239 0 50 DEAA C[C@H](CCC(=O)NC1CCC(O)CC1)NC(=O)OC(C)(C)C 170614771 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319.449 2.411 0 50 DEAA CN(Cc1ccccc1OCC(=O)O)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529092646 WOVHAILZYCGEHM-GEEKYZPCSA-N 319.401 2.131 0 50 DEAA Cc1cc(C(=O)Nc2ccnn2C2CCN(C)CC2)cc(C)n1 1529139829 VOCUNESNGXVOBX-UHFFFAOYSA-N 313.405 2.414 0 50 DEAA CCc1ccccc1NC(=O)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772708557 CDSRSWNMPBBBGS-DYVFJYSZSA-N 318.373 2.204 0 50 DEAA CCn1cc(C(=O)Nc2ccncc2)c(=O)c2ccc(C)nc21 12324542 DNPGQKHQECQBSE-UHFFFAOYSA-N 308.341 2.372 0 50 DEAA CC[C@H](C(=O)Nc1ccc(F)cc1)n1c(N)nnc1SC 16626702 DGYOSVOIPGOEBC-SNVBAGLBSA-N 309.370 2.311 0 50 DEAA Cn1cc(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc21 19322767 OILSUAOPHMBUFP-UHFFFAOYSA-N 309.413 2.403 0 50 DEAA biogenic Cc1cnnc(N(C)Cc2nc(O)c3sccc3n2)c1C 1857670815 DDTYZVHFDYBCEM-UHFFFAOYSA-N 301.375 2.440 0 50 DEAA CCCn1nccc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)O)C1 659144500 IAOUNVUCAOSEBK-GFCCVEGCSA-N 307.394 2.256 0 50 DEAA CS(=O)(=O)c1ccc2ncnc(NCc3ccccn3)c2c1 302797602 RBBABILXCDQIAG-UHFFFAOYSA-N 314.370 2.040 0 50 DEAA 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316.336 2.087 0 50 DEAA Cc1oc2ccccc2c1CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 867453943 RVEHEFLSXIDXIN-QMTHXVAHSA-N 300.358 2.272 0 50 DEAA Cc1nc(C(=O)NCCn2cc(-c3ccccc3)nn2)cs1 1875316558 ZECFPTUWCXIFHC-UHFFFAOYSA-N 313.386 2.140 0 50 DEAA COc1cc(C)c([S@](C)=O)cc1OC[C@H]1C[N@]1CC1CC1 1875381939 LVQZSMDXHLGGPC-JRQSSSKMSA-N 309.431 2.214 0 50 DEAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cc(C4CC4)no3)n[nH]c21 1875395191 QNIZUEBMDCJBGA-BDAKNGLRSA-N 316.361 2.227 0 50 DEAA CCn1c(C)cc(C(=O)N2CCC[C@@H]2c2ccc(N)nn2)c1C 888077240 VXSJNENYVHDMLF-OAHLLOKOSA-N 313.405 2.474 0 50 DEAA Cc1nc(=NC(=O)C2CC=CC2)n(-c2ccc(F)cc2C)[nH]1 888876120 CFIDUAQCASJJDP-UHFFFAOYSA-N 300.337 2.350 0 50 DEAA Cc1cn2nc(N[C@H]3CCN(c4nccs4)C3)ccc2n1 893342056 DKCYYRPUKRYPHX-NSHDSACASA-N 300.391 2.185 0 50 DEAA Cc1ccc2c(=O)cc(C(=O)N=c3nc(C4CC4)o[nH]3)oc2c1 2100556191 HRSOJZOOLVNADM-UHFFFAOYSA-N 311.297 2.036 0 50 DEAA O=C(c1ccc(F)cc1)N1CCc2c(sc3ncnn23)C1 1857940331 LDOYVLHLAGVZIM-UHFFFAOYSA-N 302.334 2.128 0 50 DEAA CC(=O)N1CC[C@H](NC(=O)c2cc(C)nc3ccc(C)cc23)C1 2325739596 ZJTVDTCNLJMYFL-AWEZNQCLSA-N 311.385 2.202 0 50 DEAA O=C1[C@@H](NC2CC(c3ccc(F)cc3)C2)CCN1c1cc[nH]n1 2325807123 BODQLRUNTZYRAS-ZALBZXLWSA-N 314.364 2.190 0 50 DEAA Nc1cccc(C2(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)CC2)c1 2325808753 MZIGVCHSZVVDGW-MRXNPFEDSA-N 322.364 2.156 0 50 DEAA COc1ccc(C)cc1NC(=O)c1cccc(-n2cnnn2)c1 418365 YTXLXSPMTVLUQQ-UHFFFAOYSA-N 309.329 2.232 0 50 DEAA CC1(C)c2ccc(o2)C(=O)NCCCNC(=O)c2ccc1o2 6654834 ITWWVOLUTUOGQE-UHFFFAOYSA-N 302.330 2.062 0 50 DEAA CCN1CCC(NC(=O)Nc2ccccc2C(=O)OC)CC1 6699417 RQOSINBYDBZFKX-UHFFFAOYSA-N 305.378 2.079 0 50 DEAA Cc1csc(CCCNC(=O)Cc2ccc3c(c2)OCO3)n1 102303068 YJKUOGCNDQCNSY-UHFFFAOYSA-N 318.398 2.472 0 50 DEAA Cc1cc2[nH]c(CN3C[C@H]4C5CCC(CC5)[C@H]4C3)cc(=O)n2n1 102567563 ALIWDGOETISHRU-ZVCZJPQMSA-N 312.417 2.199 0 50 DEAA CCn1c(CN2CCN(c3ccc(F)cc3)CC2)n[nH]c1=S 23550215 SRGFTKLALNPJGW-UHFFFAOYSA-N 321.425 2.422 0 50 DEAA O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc2nc(S)oc2c1 246744144 PGUBLUAFMLIJHM-HOMQSWHASA-N 306.387 2.397 0 50 DEAA COCC[C@H]1CCCCN1Cc1ccc(S(C)(=O)=O)cc1 65369985 UBMUJZCYEFQBKB-OAHLLOKOSA-N 311.447 2.481 0 50 DEAA CC1(C)CNC(=O)c2nc(-c3cc(C(C)(C)C)[nH]n3)[nH]c2C1 67921208 SYJCOBSDMMUWBI-UHFFFAOYSA-N 301.394 2.409 0 50 DEAA Cc1ncc(CN[C@@H]2CCCN(C3Cc4ccccc4C3)C2)n1C 20908518 QZULRIFTGIJBNC-GOSISDBHSA-N 324.472 2.450 0 50 DEAA C[C@@H](NC(=O)CCc1nc2ccc(F)cc2[nH]1)c1ccncn1 20869541 XAIKUGBJAXXIHT-SNVBAGLBSA-N 313.336 2.302 0 50 DEAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1n[nH]c2ccccc12 248097448 DEVDELGKFXSWCX-DLBZAZTESA-N 312.417 2.191 0 50 DEAA COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCc3nccn3C2)cc1 248249108 OEAVRZZYRAMDGA-BPUTZDHNSA-N 311.385 2.126 0 50 DEAA CCN(C[C@@H]1CCCCO1)C(=O)c1cccc(-n2cnnc2)c1 65421774 XHVMJFYHZWNUFM-INIZCTEOSA-N 314.389 2.299 0 50 DEAA Cc1cc(C)n(CC[C@H]2CC(=O)NCc3nc4ccccn4c32)n1 65373906 IOXHRECUTXMQHN-AWEZNQCLSA-N 323.400 2.341 0 50 DEAA C[C@@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccncn1 12303065 MTGQWVFQISBCKG-GFCCVEGCSA-N 323.356 2.270 0 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318.392 2.116 0 50 DEAA COc1ccc(-c2nccn2[C@@H]2CCN(C)C2)cc1C(=O)O 1875243318 AZMMQFUZVUAUPC-GFCCVEGCSA-N 301.346 2.134 0 50 DEAA COC(=O)[C@H]1CCn2c(nnc2C(F)(F)Oc2ccccc2)C1 601045291 UYCMZVGPTPQAPE-JTQLQIEISA-N 323.299 2.142 0 50 DEAA COc1ccc(CCCCC(=O)N2CCC[C@H]2C(=O)O)cc1 237204622 GKGVYSFWDOXPGK-HNNXBMFYSA-N 305.374 2.484 0 50 DEAA Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC[C@H](N)C2)CC1 237728308 LZCSTPKYZLCGEY-WBVHZDCISA-N 315.461 2.203 0 50 DEAA NC1CCC(NC(=O)c2ccccc2OC[C@H]2CCCO2)CC1 131911881 GRWKTXWIHCKZTH-YMAMQOFZSA-N 318.417 2.244 0 50 DEAA O=C(O)CCN1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 247359479 DQAUVWIHEJYIMH-ZBFHGGJFSA-N 306.381 2.197 0 50 DEAA O=S(=O)(NCCCc1cnoc1)c1ccc(Cl)s1 252495254 OOPOPEWXAJHYTB-UHFFFAOYSA-N 306.796 2.301 0 50 DEAA Cc1cnc([C@@H](NC(=O)c2cccc(C(=O)O)n2)C2CC2)s1 362533803 NFPCKBWVCIKQOB-LBPRGKRZSA-N 317.370 2.426 0 50 DEAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)C=C2CCC(C(C)(C)C)CC2)C1 583621098 GSAUZOUBHZMYNH-FGRDXJNISA-N 322.449 2.250 0 50 DEAA 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0 50 DEAA CNc1nc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cs1 215770638 UFGLQUBXRSKWFT-UHFFFAOYSA-N 313.386 2.301 0 50 DEAA Cc1nc2ccc(C(=O)N(C)[C@H](CO)CC(C)C)cc2n1C 331064668 PBYVMFQPVZZONS-AWEZNQCLSA-N 303.406 2.361 0 50 DEAA Cc1c([C@@H](C)NC(=O)c2ccc(C(=O)O)cc2F)cnn1C 262398006 NUCMOEQTZYFKDX-MRVPVSSYSA-N 305.309 2.057 0 50 DEAA CCN(CC(=O)N1CCCCCC1)C(=O)c1ccc(F)cn1 331994911 NAMFCJBZXVVQSB-UHFFFAOYSA-N 307.369 2.085 0 50 DEAA COc1ccc(C(=O)NCc2c3c(nn2C)CCCC3)c(F)c1 332019446 IBQGYBFSXUIXSR-UHFFFAOYSA-N 317.364 2.377 0 50 DEAA Cc1ccc(CNC(=O)Nc2cc3n(n2)CCCC3)cc1F 376749565 QIUFGQBNIXRJDT-UHFFFAOYSA-N 302.353 2.989 0 50 DEAA CNc1nc(N2CCC[C@H](COC)CC2)nc2ccccc12 450938821 BGQJHVUISJNLMT-ZDUSSCGKSA-N 300.406 2.924 0 50 DEAA CC(=O)c1ccc(NC(=O)NC2CCC(C(=O)O)CC2)nc1 263075364 QNIMILTUCJSZSN-UHFFFAOYSA-N 305.334 2.049 0 50 DEAA COc1cnc(N2CCCN(c3ccc(F)cc3)CC2)nc1 77471055 XEBPFCHQXXXIPY-UHFFFAOYSA-N 302.353 2.341 0 50 DEAA C[C@H](c1ccccc1)n1nnnc1N1CC(c2ccncc2)C1 71775882 CAAZJIHGZTXEAZ-CYBMUJFWSA-N 306.373 2.281 0 50 DEAA CNCC1CCN(C(=O)c2cnn(-c3ccccc3C)c2)CC1 237094048 OBHRPQYDQOULOZ-UHFFFAOYSA-N 312.417 2.252 0 50 DEAA O=C(NC[C@@H]1CCCN1C1CCCCC1)c1cc2n(n1)CCC2 333433582 NZKWLXUSBCNBKH-INIZCTEOSA-N 316.449 2.356 0 50 DEAA O=C(NC[C@H]1CCCN1CCCO)c1cccc2ccsc12 452365072 NHQVYFODFDGUFT-CQSZACIVSA-N 318.442 2.478 0 50 DEAA C[C@@H]1CN(C(=O)c2cc3c(F)cccc3[nH]2)CC[C@H]1C(=O)O 263147769 YXIJZZIJFXUGAV-NXEZZACHSA-N 304.321 2.490 0 50 DEAA CC[C@@H](OC)C(=O)Nc1cccc(-n2ncc(C(=O)O)c2C)c1 263383978 BTOPFTLSLAQIMD-CQSZACIVSA-N 317.345 2.242 0 50 DEAA CC1CCN([C@@H](C)CNC(=O)NCc2cccc(CO)c2)CC1 242339277 ZGNFEIHRUFHSGX-HNNXBMFYSA-N 319.449 2.099 0 50 DEAA COCc1cccc(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)O)c1 263515699 DPCGMAAJVDJOLU-YQQAZPJKSA-N 317.385 2.087 0 50 DEAA Fc1ccc(OCCNc2cc([C@@H]3CCOC3)ncn2)cc1 426526274 OMASXYUHOSIXPL-GFCCVEGCSA-N 303.337 2.611 0 50 DEAA Cc1noc(CCC(=O)Nc2ccc3nc(S)oc3c2)n1 160737591 UTKQVSWQARRGMU-UHFFFAOYSA-N 304.331 2.379 0 50 DEAA 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BKLBUWKCDRXDHV-XJIUQZFPSA-N 310.397 2.246 0 50 DEAA CC(C)(C)n1cc(C(=O)NC[C@H](C(=O)O)c2ccccc2)cn1 262498111 NAIZDGVUYFIXNN-AWEZNQCLSA-N 315.373 2.236 0 50 DEAA O=C(O)c1n[nH]cc1NC(=O)C1CC(c2ccc(F)cc2)C1 902232186 AXRXQRKXOJSSNB-UHFFFAOYSA-N 303.293 2.379 0 50 DEAA Cc1ccc2[nH]cc(CCC(=O)N3CC(C)(C(=O)O)C3)c2c1 910056848 JOIBUXTVBAVIIG-UHFFFAOYSA-N 300.358 2.342 0 50 DEAA C=C(OC)C(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 952894936 VHHCRCRUHGBVJR-CYBMUJFWSA-N 321.446 2.116 0 50 DEAA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2c[nH]cc2C)C3)o1 952851744 UWTFTRCQNMBQEK-SJCJKPOMSA-N 314.389 2.462 0 50 DEAA CCN(c1cccnc1)S(=O)(=O)C[C@H]1CCC(C)(C)CO1 1875289775 NPOIZIXTQUYTKF-CQSZACIVSA-N 312.435 2.443 0 50 DEAA Cc1ncccc1NC(=O)[C@H](C)N[C@@H](C)c1snnc1C 1875284593 AQLNQXNYKZKVCS-ONGXEEELSA-N 305.407 2.228 0 50 DEAA COc1cc(C(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)ccc1F 888077798 VMQGUKQXKWLQEP-DGCLKSJQSA-N 319.336 2.160 0 50 DEAA CC(C)(C)OC(=O)NCC1(C(=O)Nc2ccc(O)cc2O)CC1 1176498263 SUFWLOYBJKELCA-UHFFFAOYSA-N 322.361 2.341 0 50 DEAA Cc1noc(C)c1CNC(=O)[C@@]1(C(=O)O)C[C@H]1c1ccccc1 907561019 IENRYTDQIXMQDN-WMLDXEAASA-N 314.341 2.166 0 50 DEAA COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1 29666 XFRYEGMAZHOGSJ-UHFFFAOYSA-N 320.370 2.454 0 50 DEAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 113638 LWYYYWNLCLHWQV-RYUDHWBXSA-N 305.330 2.287 0 50 DEAA COc1ccc(NC(=O)Oc2ccccc2C(N)=O)c(OC)c1 400366 FXTWDGZULXNJPR-UHFFFAOYSA-N 316.313 2.414 0 50 DEAA Nc1c(C(=O)c2ccccc2)sc2[nH]c(=O)c(C(=O)O)cc12 552573 OJHMDRZMENMQFP-UHFFFAOYSA-N 314.322 2.101 0 50 DEAA in-vitro COc1cc(C(C)=O)ccc1OCCN1C[C@H](C)O[C@@H](C)C1 20652603 SISKJZZEMIZAIJ-STQMWFEESA-N 307.390 2.386 0 50 DEAA COc1ccc(C(=O)N2CCC3(CCC(=O)N(C)CC3)CC2)o1 67884174 DPIDVIQPCNMSGY-UHFFFAOYSA-N 320.389 2.153 0 50 DEAA O=c1c2ccccc2ncn1CCN1CCCC[C@@H]1c1cn[nH]c1 117341871 SJNLMJLOMVXKPR-QGZVFWFLSA-N 323.400 2.347 0 50 DEAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccccc2)C[C@@H](C)O1 229518560 WNXXANBNZLTTQH-BFYDXBDKSA-N 302.418 2.400 0 50 DEAA Cc1noc([C@H]2C[C@@H](O)CN2Cc2nc(C(C)(C)C)cs2)n1 328622187 IFRPYUGTEWFCGX-GHMZBOCLSA-N 322.434 2.440 0 50 DEAA CN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1 37862713 VKVQFJOXCGYXLM-UHFFFAOYSA-N 305.355 2.206 0 50 DEAA Cc1cccc(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1 3353676 JJQHISIFGDGITM-UHFFFAOYSA-N 321.427 2.451 0 50 DEAA O=C1[C@H]2CCCCN2C(=O)N1c1cncc(Br)c1 328595604 ZABCOBWHLDYMGG-SNVBAGLBSA-N 310.151 2.165 0 50 DEAA Cc1n[nH]cc1CN1CCC[C@H](c2nnc3n2CCCCC3)C1 124209123 KNAQNUHJDZEXOY-AWEZNQCLSA-N 314.437 2.416 0 50 DEAA C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 152237843 PNNPWWKANHNWLS-CZUORRHYSA-N 300.402 2.340 0 50 DEAA CN(CC1(C)COC1)c1nc(C2CCCC2)nc2c1cnn2C 72454439 ZGLQGMZCSHSXRR-UHFFFAOYSA-N 315.421 2.494 0 50 DEAA CCc1nn(C)c(Cl)c1CN(C)Cc1nncn1C(C)C 216185058 XHVRPJKZPIRJIB-UHFFFAOYSA-N 310.833 2.440 0 50 DEAA Cc1cc(=NC(=O)N2CC[C@H](CN3CCCCC3)C2)c(C)c[nH]1 372897508 NCFIOTQKBDEEDX-MRXNPFEDSA-N 316.449 2.460 0 50 DEAA CCc1cc(NCc2nc(COC)no2)n2nc(C)c(C)c2n1 72412310 UDMOXFHAPVJTFB-UHFFFAOYSA-N 316.365 2.050 0 50 DEAA COc1ccc2c(c1)CCCCN2S(=O)(=O)C[C@H](C)OC 281955601 NRBREPRIOSPXES-LBPRGKRZSA-N 313.419 2.203 0 50 DEAA O=C(CCc1cc(Cl)cs1)N[C@@H]1CNCCC1(F)F 449659669 CAPWSMDUHCEKMX-SNVBAGLBSA-N 308.781 2.448 0 50 DEAA COc1cccc2c1ccn2CC(=O)Nc1cnn(C(C)C)n1 48460357 GWMGDUYNCXAEBI-UHFFFAOYSA-N 313.361 2.461 0 50 DEAA O[C@@H](COc1ccccc1)CN1CCOC2(CCCCC2)C1 173849558 XKWZPCKAODJKGG-MRXNPFEDSA-N 305.418 2.461 0 50 DEAA CC1(NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CCCC1 284130580 CRSLTJOVRDZLBE-CYBMUJFWSA-N 307.415 2.397 0 50 DEAA CS(=O)(=O)CC1(CNC(=O)c2cc3ccccc3s2)CC1 177232600 YLMNAHKPWRUYSA-UHFFFAOYSA-N 323.439 2.456 0 50 DEAA COc1ccc(F)cc1CN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 285102059 KJODBHXJYPUPKG-ZIAGYGMSSA-N 315.410 2.280 0 50 DEAA COCc1n[nH]c([C@H]2CCCCN2Cc2ncccc2C)n1 289213627 WUFLNHBZTPPJSY-CQSZACIVSA-N 301.394 2.382 0 50 DEAA O=C(O)[C@H]1CCCN(C(=O)CCCN2Cc3ccccc3C2)C1 426668254 GGCVXWKPSBVSHG-INIZCTEOSA-N 316.401 2.106 0 50 DEAA CN(C)C(=O)n1nnc(Cc2ccc(-c3ccccc3)cc2)n1 40938836 VBVLSXPOMAONNK-UHFFFAOYSA-N 307.357 2.461 0 50 DEAA in-vitro CCN(Cc1noc(C)n1)C(=O)[C@H](C)n1ccnc1C(C)C 220377040 RXQGZBJPFFDJRM-NSHDSACASA-N 305.382 2.308 0 50 DEAA Cc1nc(N2CCN(C3CCOCC3)CC2)c2sccc2n1 91713830 FKQMYZCODIPPRP-UHFFFAOYSA-N 318.446 2.301 0 50 DEAA Cc1nn(C)c2nc(NCc3cn4c(n3)SCC4)sc12 95499741 SEZJKRXLZZCRLE-UHFFFAOYSA-N 306.420 2.253 0 50 DEAA Cc1ncsc1CN(C)C(=O)[C@@H]1CCCN1CC(F)(F)F 291774486 WBOOJFIPBUEECO-JTQLQIEISA-N 321.368 2.437 0 50 DEAA CCN(CC)[C@H](CNC(=O)Cc1cnn(C)c1C)c1ccco1 292139974 CRGIYHAOABUCKX-OAHLLOKOSA-N 318.421 2.063 0 50 DEAA O=C(O)[C@@H]1Cc2[nH]cnc2CN1Cc1coc(-c2ccccc2)n1 97575027 OKNJGXUTNQRLAC-HNNXBMFYSA-N 324.340 2.076 0 50 DEAA CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@H](C)NC2CC2)c1 296392166 LBOJPFRJABSCBA-OLZOCXBDSA-N 317.433 2.428 0 50 DEAA CN1CCN(Cc2cn3cccnc3n2)[C@H](c2ccccc2)C1 183082581 HPCKLLIYYFNJQJ-KRWDZBQOSA-N 307.401 2.218 0 50 DEAA O=C(CN1CC[C@H](Oc2cccc(F)c2)C1)N1CCCCC1 183370105 MJFQVXJJDZAOHB-INIZCTEOSA-N 306.381 2.291 0 50 DEAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@](C)(C(=O)O)C1 299743995 NEFQDOKUJAKMAI-QGZVFWFLSA-N 321.421 2.022 0 50 DEAA O=C(CCN1CCC2(CCO2)CC1)NCc1ccccc1F 252510084 ZBDIBJPFTXGWHI-UHFFFAOYSA-N 306.381 2.087 0 50 DEAA CCN(CC)CC1(NS(=O)(=O)c2cc(C)cs2)CC1 534581963 KEEDDODSKMOUFZ-UHFFFAOYSA-N 302.465 2.209 0 50 DEAA Cc1ccc([C@H](CNC(=O)c2cc(C)nc(C)n2)N(C)C)cc1 299781820 FHQRVMHQHPARHU-KRWDZBQOSA-N 312.417 2.435 0 50 DEAA Cc1cccc(N2CCC(n3cnc4cn(C)nc4c3=O)CC2)c1 584901725 ALYKUMGZSDZNNI-UHFFFAOYSA-N 323.400 2.280 0 50 DEAA Cc1nc(C)c(C(=O)N[C@H](C)c2nc(-c3ccccn3)no2)o1 670445206 FFAINSVNNFWGKN-SECBINFHSA-N 313.317 2.227 0 50 DEAA CO[C@H](C)C(=O)OC[C@](C)(O)c1ccc(Br)cc1 864086988 PGFIXRAYDKKZJG-RNCFNFMXSA-N 317.179 2.235 0 50 DEAA Cc1nc(S(=O)(=O)N2CC[C@H](c3ccc(F)cc3)C2)cn1C 268079207 URXACTJPNWEOTQ-ZDUSSCGKSA-N 323.393 2.046 0 50 DEAA O=C(c1ccc(NCCc2cccs2)nc1)N1CCOCC1 881762643 JAKUWMXWXFUDFK-UHFFFAOYSA-N 317.414 2.270 0 50 DEAA C[C@H]1CN(Cc2ccc(OCCO)cc2)CC[C@]1(O)C1CCC1 1565526734 RXBOHGRMQARWQN-HNAYVOBHSA-N 319.445 2.431 0 50 DEAA COc1cc(S(=O)(=O)NCc2cccc(C)n2)ccc1F 170604987 NTMMPFYVQRCOET-UHFFFAOYSA-N 310.350 2.016 0 50 DEAA COC(=O)C1CCC2(CC1)NC(=O)c1cc(F)c(C)cc1N2 170612315 VPGZMRFDSWRBHA-UHFFFAOYSA-N 306.337 2.349 0 50 DEAA N[C@H]1CC[C@H](Nc2cc(-c3ccccc3)nc3ncnn23)CC1 634813004 WRALGKUZZMRJKG-HDJSIYSDSA-N 308.389 2.473 0 50 DEAA CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(OCCC(C)C)cc2)C1 187840957 SAHIVLKEMHJTTL-JKSUJKDBSA-N 306.406 2.427 0 50 DEAA COc1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)O)cc2)on1 191404971 DCHRLERNOAXCBY-VIFPVBQESA-N 304.302 2.199 0 50 DEAA CC(=O)N1C[C@@H](NC(=O)C2CC=CC2)CC[C@H]1C(F)(F)F 583618319 NPAWLJPYLMSSPO-RYUDHWBXSA-N 304.312 2.011 0 50 DEAA CC(C)(C)c1nc2cc(NC(=O)N3CCOCCN3)ccc2o1 585120001 FQYGADRNJCBKTH-UHFFFAOYSA-N 318.377 2.494 0 50 DEAA C[C@@H]1[C@H](C(=O)NCc2ncc3c(n2)CCOC3)[C@@H]1c1ccccc1 650362543 IZJMEIMIOOSJMP-IGNZVWTISA-N 323.396 2.215 0 50 DEAA C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)c1nccs1 194485986 OERQCEAQYJAWNW-QMMMGPOBSA-N 300.334 2.138 0 50 DEAA c1ccc(-c2cc(CN3CCO[C@@]4(CCCOC4)C3)[nH]n2)cc1 685436369 IVSZKXJLNFYJKB-SFHVURJKSA-N 313.401 2.458 0 50 DEAA CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nccc(C)n2)C1 194656557 MCVBYNZDMQSXRM-AAEUAGOBSA-N 304.394 2.008 0 50 DEAA CC(F)(F)C(=O)N1C[C@H]2CC[C@@]2(Nc2cncc(Cl)n2)C1 1615058392 YPARLGSAIPKHMZ-AMIZOPFISA-N 316.739 2.188 0 50 DEAA O=S(=O)(NCC[C@H]1CCNC1)c1c(Cl)cccc1Cl 110797739 OXSZZFGFTPZAMT-SECBINFHSA-N 323.245 2.271 0 50 DEAA Cc1cc(C[C@@H]2CN(Cc3ccc4[nH]ccc4c3)C[C@H]2O)n[nH]1 1529155459 SXVJRTFSVRIANI-CRAIPNDOSA-N 310.401 2.235 0 50 DEAA COc1ccccc1CN1C(=O)O[C@H]2CN(CC3CC3)C[C@H]21 209421342 LOHLAQQYOOPJND-ZBFHGGJFSA-N 302.374 2.110 0 50 DEAA CN(C(=S)SCc1ccccc1)[C@H]1CCS(=O)(=O)C1 5103029 RFOHULBKLUMYCL-LBPRGKRZSA-N 315.485 2.324 0 50 DEAA CCNC[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O 12300941 BMQPIEQJZNSSNQ-SFHVURJKSA-N 304.434 2.273 0 50 DEAA Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1NS(C)(=O)=O 13675970 XQJYWJPWDRJJBS-LLVKDONJSA-N 310.419 2.239 0 50 DEAA O=C1CN(S(=O)(=O)Cc2ccccc2F)c2ccccc2N1 16579407 QCZQPGUHVDVVPY-UHFFFAOYSA-N 320.345 2.114 0 50 DEAA Cc1ccc2ncnc(N3CCN(c4cccc(O)c4)CC3)c2n1 1857671580 IYSJZRZDHOGCFE-UHFFFAOYSA-N 321.384 2.365 0 50 DEAA Cc1cc(C(=O)N2CCC23COC3)nn1-c1cccc(Cl)c1 615923103 CANXBKYWYSMCRK-UHFFFAOYSA-N 317.776 2.449 0 50 DEAA CO[C@@H]1CN[C@@H](C(=O)Nc2cnc(-c3ccccc3)s2)C1 225632159 OGENRCFGFPJQJQ-NWDGAFQWSA-N 303.387 2.126 0 50 DEAA C[C@H](c1nc(C2CC2)no1)N(C)C[C@@H]1CCc2nccn2C1 328655569 YMCDIKDSUWZHIH-NEPJUHHUSA-N 301.394 2.399 0 50 DEAA O=C(Nc1ccccn1)[C@@H]1CCCN(CC2CCOCC2)C1 732982901 WCKSPWNILXSRJH-OAHLLOKOSA-N 303.406 2.159 0 50 DEAA Cc1ccccc1[C@H]1C[C@H]1C(=O)N(CC(=O)O)C1CCOCC1 237681513 QLIVMFTZFGOYNT-HZPDHXFCSA-N 317.385 2.191 0 50 DEAA CCOC(=O)[C@H]1CCCN(c2nnc(-c3ccccn3)s2)C1 134858393 HXTWVUNVBJDWBN-NSHDSACASA-N 318.402 2.380 0 50 DEAA C[C@H](O)C[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)n1 252508407 XMVHDEPHYXNVIZ-ZFWWWQNUSA-N 314.389 2.033 0 50 DEAA CC(C)c1ccc2occ(C(=O)N3C[C@H](O)C[C@H]3CO)c2c1 367264669 OGQHJLBBKLZJEF-QWHCGFSZSA-N 303.358 2.124 0 50 DEAA 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2.008 0 50 DEAA CC(C)c1cc(C(=O)NCCSC(F)(F)F)nc(N)n1 1506419158 YVQWCVBMPDEXLR-UHFFFAOYSA-N 308.329 2.165 0 50 DEAA CCc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)s1 1704353007 IHEAFHQMYSCCII-UKRRQHHQSA-N 316.426 2.381 0 50 DEAA CC(C)CN1CCC(N[C@H]2COC[C@H]2Cc2ccncc2)CC1 1704305028 UFAPQHSLXXDBIG-MJGOQNOKSA-N 317.477 2.349 0 50 DEAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cncc(O)c3)C1)CC2 1704359654 XQSNNNIBIIGDMU-SFHVURJKSA-N 324.384 2.006 0 50 DEAA O=C(c1cccc2c1OCCO2)N1CCC[C@@]2(CCC[C@H]2O)C1 1704312292 IGOCCSIQYIDXRR-QAPCUYQASA-N 317.385 2.225 0 50 DEAA CC(C)N1C[C@@H](CN2CCC3(CCNCC3)CC2)CCC1=O 1775982655 NGVSQGAATYEOAN-MRXNPFEDSA-N 307.482 2.099 0 50 DEAA Cc1nsnc1C(=O)N(C)C[C@H]1CCN(c2ccccc2)C1 1775980257 WNPXEJZSKXGTAE-CYBMUJFWSA-N 316.430 2.445 0 50 DEAA COC(=O)c1ccc(OCCCN2C[C@H](C)O[C@H](C)C2)cc1 16247782 HFVCAINVKHYNOM-OKILXGFUSA-N 307.390 2.351 0 50 DEAA O=C1[C@H]2N=NN(Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1 18192209 XQKIMWNZIDYWMF-LSDHHAIUSA-N 306.325 2.180 0 50 DEAA Cc1cc(N2C[C@H]3C[C@@H](O)C[C@H]3C2)c2cc3c(cc2n1)OCO3 1857684176 BSPPDOKHSGTTEB-CLLJXQQHSA-N 312.369 2.479 0 50 DEAA Cc1noc(C)c1[C@H](C)C(=O)N[C@H](C)c1ncc(C(=O)O)s1 621610669 NLDMXKOPFFDNRX-POYBYMJQSA-N 323.374 2.427 0 50 DEAA CO[C@H]1CN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C[C@H]1OC 626647191 HNNYTXULHHVWJM-GASCZTMLSA-N 304.390 2.255 0 50 DEAA C[C@H](NC(=O)N1CCC[C@H]1C(=O)NC1CC1)c1ccccc1 123490522 IFDUUOGPAAGNEE-WFASDCNBSA-N 301.390 2.200 0 50 DEAA Cc1nn(C(C)C)c(C)c1CC(=O)N1CCC[C@](C)(O)CC1 331414065 GQUYOUNMGQERFU-KRWDZBQOSA-N 307.438 2.387 0 50 DEAA CC[C@H](NC(=O)CN1CCC[C@@H]1C(=O)O)c1ccc(Cl)cc1 237000725 FVLCSHFLZQOMBE-UONOGXRCSA-N 324.808 2.456 0 50 DEAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@H]1C(=O)O 237491951 GIKOJLOHDOAJKG-KCJUWKMLSA-N 315.728 2.322 0 50 DEAA CC(C)c1cnc(S[C@@H](C)C(=O)N2CCNC2=O)n1C1CC1 129177262 CXNHKFJQWLMBQI-JTQLQIEISA-N 322.434 2.374 0 50 DEAA O=C(C[C@H]1CCCCO1)Nc1ccc(N2CCCC2=O)cn1 151764922 SRQNXTAGBAVIAN-CYBMUJFWSA-N 303.362 2.106 0 50 DEAA 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830751640 ZQBVGXQEJKPQJQ-ZDUSSCGKSA-N 310.195 2.006 0 50 DEAA COc1cc(-c2ncc3c(ncn3C)n2)cc(OC)c1OC 2100548019 RYUZNQFKXUWBFV-UHFFFAOYSA-N 300.318 2.056 0 50 DEAA CC1(C)CC[C@H](NC(=O)c2cccn3nccc23)[C@H](CN)C1 2325775749 TVHLSNLEWIGKOA-JSGCOSHPSA-N 300.406 2.218 0 50 DEAA O=C(Nc1nnc([C@H]2CCCO2)s1)[C@H]1C[C@@H]2CC[C@H](C1)O2 2325792601 YDOASCNSTCKGCO-CHWFTXMASA-N 309.391 2.286 0 50 DEAA O=C(Nc1cnn2cccnc12)N1C[C@H](C(F)F)C2(CC2)C1 2325810226 DAKTZXHBDGTLHO-SECBINFHSA-N 307.304 2.238 0 50 DEAA CN1CCC2(CC1)C[C@@H](O)CN2C(=O)c1cc2ccccc2o1 2325810983 VHHSHENQVUTKNV-CQSZACIVSA-N 314.385 2.104 0 50 DEAA Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H](O)c3cnc[nH]3)C2)cc1 865064210 QHEAMBHEYKEXOV-DOTOQJQBSA-N 313.401 2.233 0 50 DEAA CCOc1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)cc1 310989 VDBWCHBIPZHNMO-CQSZACIVSA-N 304.346 2.228 0 50 DEAA COc1ccc(CCNC[C@H](O)c2ccc(O)cc2)cc1OC 1552175 VHSBBVZJABQOSG-INIZCTEOSA-N 317.385 2.275 0 50 DEAA in-man C[C@]1(O)CCOC2(CCN(Cc3nccn3C3CC3)CC2)C1 2356158061 BUUQBBDRMUBHRC-INIZCTEOSA-N 305.422 2.114 0 50 DEAA NS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 3885130 ZAANCINOCXNPIP-UHFFFAOYSA-N 310.762 2.240 0 50 DEAA COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Cl)c1 4141143 PVDYNVRGPXFECM-CYBMUJFWSA-N 324.764 2.158 0 50 DEAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccnn2C)CC1 6715254 SVRUUFWIRIWSRG-UHFFFAOYSA-N 318.808 2.344 0 50 DEAA COc1cccc(N2C[C@H](C(=O)Nc3ccncc3)CC2=O)c1 7452137 DMXLKHLWKXHPNS-GFCCVEGCSA-N 311.341 2.082 0 50 DEAA CCOC(=O)[C@@]1(C)CCN(C(=O)[C@@H]2CCCc3cccnc32)C1 225507952 NSIWSFSLBUXUCL-KDOFPFPSSA-N 316.401 2.303 0 50 DEAA C[C@H](C(=O)Nc1nccs1)N1CCN(c2ccccc2)CC1 51448926 FVZODMNDBPRROU-CYBMUJFWSA-N 316.430 2.292 0 50 DEAA CCCn1ncc(C(=O)N2CCC[C@H]2c2nonc2C)c1C 65455711 JUUSQHXGPDFESY-ZDUSSCGKSA-N 303.366 2.270 0 50 DEAA CCc1nc(N2CCN([C@@H]3CCc4ccccc4C3)CC2)no1 77287407 QIUDALMMWNSGCM-MRXNPFEDSA-N 312.417 2.312 0 50 DEAA CCCCNC(=S)NNC(=S)N[C@@H]1CCC[C@H](C)[C@H]1C 252452895 LMUJOZWEXIZBHA-QJPTWQEYSA-N 316.540 2.454 0 50 DEAA C[C@@H]1CN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CCC1(F)F 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CCc1nnc(CNC(=O)c2c(C)[nH]c3c2C(=O)CCC3)s1 223666823 DDZMFTMSBUQHPA-UHFFFAOYSA-N 318.402 2.186 0 50 DEAA Cc1ccccc1OC1(C(=O)O)CCN(Cc2ncc[nH]2)CC1 82107746 CLQAYCFORUJWIN-UHFFFAOYSA-N 315.373 2.216 0 50 DEAA Cc1cc(F)ccc1C(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 222936867 OHJBKVKCHQRZNA-INORYPFCSA-N 317.364 2.110 0 50 DEAA C[C@H](Sc1nnc(N)s1)C(=O)N1C[C@H](C)C[C@@H](C)C1 195529571 NLHPBIWXVFRKQC-HLTSFMKQSA-N 300.453 2.105 0 50 DEAA CCOc1c(Cl)cc(C(=O)N2CC[C@H](CN)C2)cc1OC 178527705 YTHUIRJFELRCHY-SNVBAGLBSA-N 312.797 2.168 0 50 DEAA Cn1ncc2cc(-c3ccc([C@@H]4NC(=O)NC4=O)cc3)ccc21 96162113 KEYZRFOIMNOOGU-HNNXBMFYSA-N 306.325 2.121 0 50 DEAA COC(C)(C)C(=O)N[C@H]1CN(Cc2cccnc2)C[C@@H]1C(C)C 91757442 SMGWCVISCTVEMO-CVEARBPZSA-N 319.449 2.079 0 50 DEAA CCCCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)O 96511662 DPFDUEONOXZXSV-UHFFFAOYSA-N 302.330 2.418 0 50 DEAA c1nc(N2CCCC2)sc1CN1CC(N2CCCCC2)C1 97773166 ZQGCECHKXOSUKJ-UHFFFAOYSA-N 306.479 2.413 0 50 DEAA CCN(CC)C(=O)N1CCC[C@@](CCCOC)(C(=O)O)C1 91915466 HTEIYDGBCBGNOW-HNNXBMFYSA-N 300.399 2.042 0 50 DEAA Cc1ccccc1CSCCNC(=O)CN1CCCCC1=O 97217420 OWPLZZZJSZMAPS-UHFFFAOYSA-N 320.458 2.357 0 50 DEAA CCN1C[C@H](C(=O)NCc2ccc3sccc3c2)CC1=O 92062103 RXLQMMMGFYMTFO-CYBMUJFWSA-N 302.399 2.386 0 50 DEAA O=C(NCCc1cnc2c(Cl)cnn2c1)[C@H]1CC=CCC1 295265231 DPEJGRACNBTLJU-LBPRGKRZSA-N 304.781 2.398 0 50 DEAA CC(=O)c1ccc(N2CCN(C[C@@H]3CCCOC3)CC2)cc1 244574977 CUPHAQUUBNNLPT-INIZCTEOSA-N 302.418 2.438 0 50 DEAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CC[C@H](C(=O)O)C2)cc1 299744443 SFGXOBCDWAFSGD-XHSDSOJGSA-N 317.385 2.396 0 50 DEAA CCCN(Cc1nccn1C)C(=O)NCC[C@@H]1CCCOC1 534660451 BCIZOXGBFNILIB-AWEZNQCLSA-N 308.426 2.158 0 50 DEAA O=S(=O)(Cc1ccccc1F)NCc1cc(C2CC2)on1 534591503 HEIBAIRVPQXVPO-UHFFFAOYSA-N 310.350 2.311 0 50 DEAA O=C(CN1CCCCCC1)N1CCN[C@H](c2ccccc2)C1 827957775 AABHVKUNFVMQQK-KRWDZBQOSA-N 301.434 2.036 0 50 DEAA CC1(CN2CCCN(C(=O)c3ccoc3)CC2)CCOCC1 670444908 DTBQLGVRBQHGGJ-UHFFFAOYSA-N 306.406 2.244 0 50 DEAA COCCOC1CCN([C@@H]2CCN(c3ccccc3)C2)CC1 670457722 OBBJUUHJINXQMD-QGZVFWFLSA-N 304.434 2.393 0 50 DEAA CC(C)(O)CCc1cccc(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1 1074597851 UKCVICYLQQLQAN-ARFHVFGLSA-N 303.402 2.297 0 50 DEAA CC(C)C[C@H](C)OC(=O)NCc1ccc(S(C)(=O)=O)nc1 1414348398 YIEKSLSXMKYDNO-NSHDSACASA-N 314.407 2.146 0 50 DEAA Cc1nc(CS(=O)(=O)N[C@@H](C)c2cc(C)sc2C)no1 1434546827 UMQUKTFDHVBSDW-QMMMGPOBSA-N 315.420 2.237 0 50 DEAA O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)N1CCC(O)(c2cccnc2)CC1 1565507336 TXFOLSFRLFXOQW-YCPHGPKFSA-N 315.417 2.263 0 50 DEAA O=C(O)[C@@H]1CCCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)C1 268938647 JPGXUKACHQUHRI-OWCLPIDISA-N 317.385 2.478 0 50 DEAA Cc1csc(CN(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)n1 276000888 POSUODMACROOPR-STQMWFEESA-N 321.425 2.290 0 50 DEAA COc1cccc([C@H](C(=O)O)N2[C@H]3CC[C@H]2[C@@H](C)[C@H](O)C3)c1 634697810 SEAADCLQTJKSDS-YXLJTMCISA-N 305.374 2.055 0 50 DEAA CCNC(=O)CC(=O)Nc1cc(-c2cc(C)cc(C)c2)n[nH]1 170610046 QCEZXHHVKAZEBF-UHFFFAOYSA-N 300.362 2.158 0 50 DEAA C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ncnn1C 189490708 JTDQGFXHVYHHFF-FZMZJTMJSA-N 306.797 2.431 0 50 DEAA O=C1C[C@H](C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CCN1 584148862 PEPREIRGJDBHAK-OAGGEKHMSA-N 300.402 2.355 0 50 DEAA CCN(CC)CC[C@H](CO)NC/C=C/c1ccccc1OC 585118520 RVUPPZKUEMPUIG-SYJIQKIWSA-N 306.450 2.391 0 50 DEAA Cc1ccc2c(Cn3nnnc3-c3ccccn3)cc(=O)oc2c1 731836232 FFPWAAUZODEDGQ-UHFFFAOYSA-N 319.324 2.198 0 50 DEAA CO[C@@H]1C[C@H](C(=O)N(Cc2ccc(O)cc2)C2CC2)CC[C@@H]1O 1704331304 QTXCDZXIYKKQDV-XOKHGSTOSA-N 319.401 2.059 0 50 DEAA COCCCN1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704339620 NQCYHAOJMTZNMF-CRAIPNDOSA-N 300.402 2.107 0 50 DEAA OC1(CNCc2cccc(Br)c2)CCOCC1 112717014 UYSYALQORRGPLN-UHFFFAOYSA-N 300.196 2.080 0 50 DEAA COc1cc(C(=O)NC[C@](C)(O)CSC)ccc1Cl 135443766 MLQMDETTZWTCOV-ZDUSSCGKSA-N 303.811 2.192 0 50 DEAA CCc1ccccc1NC(=O)N1C[C@@H]2CCCN2C(=O)[C@H]1C 1772707859 XHISFZBMYUEYDK-OCCSQVGLSA-N 301.390 2.476 0 50 DEAA Cc1cc(C)cc(NC(=O)N2C[C@@H]3COCC[C@]3(C(=O)O)C2)c1 1772709717 LXYSLTZEDRIXTG-DYVFJYSZSA-N 318.373 2.258 0 50 DEAA Cc1nc(N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)ccc1Cl 1772708320 BDXLTRBOOYLOEV-CJNGLKHVSA-N 324.808 2.486 0 50 DEAA O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNC1CCCC1 12466868 LSIGSGCESJWYAJ-LJQANCHMSA-N 316.445 2.115 0 50 DEAA O=C(CN1CCOC1=O)N1CCC[C@H](CCc2ccccc2)C1 12709746 JYAVRAKRJRKURC-MRXNPFEDSA-N 316.401 2.310 0 50 DEAA CCCOc1ccc(N2C[C@H](C(=O)NC3CC3)CC2=O)cc1 13535801 ZRJDBWXNKJCXBG-GFCCVEGCSA-N 302.374 2.107 0 50 DEAA Cc1cc(OC[C@@H](O)CN2CCN(C)CC2)ccc1C(C)C 19721126 CHLYOUYAVJEDKQ-INIZCTEOSA-N 306.450 2.106 0 50 DEAA c1cn2c(Cn3ccnc3-c3ccc4c(c3)OCO4)cnc2cn1 1857735968 DURFSTUNWFEANK-UHFFFAOYSA-N 319.324 2.370 0 50 DEAA COc1ccc(CC[C@H]2CCCCN2C(=O)CCN)cc1OC 237257631 GLGRFUYVWPUMGC-OAHLLOKOSA-N 320.433 2.366 0 50 DEAA NC[C@H]1CCCN1C(=O)CCc1ccccc1OC(F)(F)F 238034212 JVOFDGHQEVZUSE-GFCCVEGCSA-N 316.323 2.468 0 50 DEAA Cc1noc(C)c1CCCNC(=O)c1cccc(C(=O)O)c1 762288635 RLFTXSRNHPMPLO-UHFFFAOYSA-N 302.330 2.352 0 50 DEAA OC[C@H]1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)C1 265809755 LNVRDAJZGFPJTD-JTQLQIEISA-N 324.306 2.376 0 50 DEAA CN(CC[C@H]1CCCCN1C)C(=O)[C@@H]1COc2ccccc21 266138583 LHAQXCWKLQBLTK-GDBMZVCRSA-N 302.418 2.495 0 50 DEAA CC(C)(CC(=O)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1)C1CC1 910615094 GEZFWQWKFDLVOT-OFKYTCTHSA-N 309.406 2.341 0 50 DEAA CC(C)[C@H](C(=O)O)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 911377231 VRVODOXMTQKRET-LBPRGKRZSA-N 309.753 2.189 0 50 DEAA CCc1nnc([C@H]2CCCN(CCn3ccnc3C)[C@H]2C)o1 952852647 LDYPROLUFARBCK-JSGCOSHPSA-N 303.410 2.405 0 50 DEAA C[C@H]1CNc2c(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)cnn2C1 952993605 HGNHGAWUWHRZJU-VZJVUDMVSA-N 314.364 2.370 0 50 DEAA CC(C)(C)c1cn(CCS(=O)(=O)Nc2ccccc2)nn1 1875282555 JIZIAEQRTBIBDQ-UHFFFAOYSA-N 308.407 2.018 0 50 DEAA CC(C)c1ccc(-c2noc(CNC[C@@H]3COC(=O)N3)n2)cc1 1875257469 GXQMANSJMSPZEG-CYBMUJFWSA-N 316.361 2.058 0 50 DEAA Cc1[nH]nc2ncc(CNC[C@@H](c3cccnc3)N(C)C)cc12 1875257525 RMOXBGSCQNVHJD-INIZCTEOSA-N 310.405 2.054 0 50 DEAA Cc1c(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)oc2ccccc12 888077055 GSRFWZRADANEKD-GZBFAFLISA-N 311.341 2.042 0 50 DEAA CC(C)[C@H](C(=O)Nc1nnc(C(C)(C)C)s1)n1cnnc1 1775989822 SMISRNKDNQQWEL-SECBINFHSA-N 308.411 2.263 0 50 DEAA O=C1CC[C@H]2CN(c3cc(C4CCCCC4)ncn3)CCN12 1775989732 RCJPOMKUBPVJDR-AWEZNQCLSA-N 300.406 2.335 0 50 DEAA O=C(NCC(F)F)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 1775985394 LZBBKNBOCCTREI-AWEZNQCLSA-N 306.316 2.332 0 50 DEAA COC[C@]1(C)CCN(c2nnnn2Cc2ccc(C)c(F)c2)C1 1776000064 QQTXVXSVHCVEEA-MRXNPFEDSA-N 319.384 2.032 0 50 DEAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccsc1 262194683 ZEXLUUVIVGNFOW-USWWRNFRSA-N 315.416 2.155 0 50 DEAA CCn1nc(-c2nn3c(-c4cccnc4)nnc3s2)cc1C 36358859 HHXJLKRSWBVFMV-UHFFFAOYSA-N 311.374 2.440 0 50 DEAA N[C@]1(c2ccccc2)C[C@@H](NS(=O)(=O)[C@@H]2C[C@@H]3CCC[C@H]32)C1 2325800677 AWJJSBPBRNBOMB-RDDKANTKSA-N 320.458 2.111 0 50 DEAA CC[C@@H](C)CC(=O)C(=O)NC(C)(C)C(=O)NCC1CCCC1 2325813752 GKYBSPXUACNVNQ-GFCCVEGCSA-N 310.438 2.193 0 50 DEAA CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1CC 779226 UGARHYDEFAFLOC-UHFFFAOYSA-N 319.434 2.321 0 50 DEAA C[C@@H]1CN(Cc2ccccc2)C(=O)C(=O)N1Cc1ccccc1 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NC(=O)C[S@](=O)C(c1ccc(F)cc1)c1ccc(F)cc1 66077054 YEAQNUMCWMRYMU-OAQYLSRUSA-N 309.337 2.288 0 50 DEAA Cc1cc(CC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)on1 67714063 LODLBGHIHKEEAJ-MRXNPFEDSA-N 313.401 2.164 0 50 DEAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)Cc1cccc(F)c1 328625770 KZKRVNVBCLKLDW-CQSZACIVSA-N 301.365 2.286 0 50 DEAA CN(C)[C@@H]1C[C@@H](CO)N(Cc2ccc(Cl)c(Cl)c2)C1 215834117 VHVQZGAJXSHVPU-NEPJUHHUSA-N 303.233 2.490 0 50 DEAA Cc1ccc(CNC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)s1 328625104 CSYMELRNYNMFQP-ZFWWWQNUSA-N 322.453 2.492 0 50 DEAA C[C@H]1C[C@@H](C)CN([C@H]2CC(=O)N([C@H](C)c3cccnc3)C2=O)C1 229897393 OZARIMVYHKFHTF-CTASWTNQSA-N 315.417 2.248 0 50 DEAA COC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 6453257 OSLGJLAFIYFZSJ-IUCAKERBSA-N 311.359 2.364 0 50 DEAA C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCc1cnccn1 253430383 ZPTYLMUJZVKVIJ-QAPCUYQASA-N 324.428 2.046 0 50 DEAA Cc1nccn1C1(C(=O)O)CCN(Cc2ccccc2F)CC1 72468462 SHCRPBACFNNJOH-UHFFFAOYSA-N 317.364 2.407 0 50 DEAA Cc1cccc(C(=O)N(C)CCC(=O)O)c1Br 234289093 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320.370 2.478 0 50 DEAA O=C(NCCN1CCCC1)c1cc(-n2cccn2)ccc1Cl 215443056 HYNQJEDSCRIMJE-UHFFFAOYSA-N 318.808 2.351 0 50 DEAA CN(Cc1cc(-c2cccs2)n[nH]1)c1cc(CCN)ncn1 67894121 OIQUVUAEIFDFGU-UHFFFAOYSA-N 314.418 2.066 0 50 DEAA CCN1CCC[C@@H](CNC(=O)c2nn(C)c3ccc(C)cc23)C1 67948005 SHUQGAJEQPYTIE-AWEZNQCLSA-N 314.433 2.343 0 50 DEAA NC(=O)Nc1cc(NS(=O)(=O)c2cccs2)ccc1F 431163839 ZHSCTUIWQKTYNM-UHFFFAOYSA-N 315.351 2.179 0 50 DEAA CCn1ncc(CNC(=O)c2noc3c2C[C@@H](C)CC3)c1C 2804183 HLTGUYLLHQQDDH-JTQLQIEISA-N 302.378 2.254 0 50 DEAA CCCc1cc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)n(C)n1 121103171 VHTSYGRBEZZMBE-SNVBAGLBSA-N 304.398 2.157 0 50 DEAA CC(C)OC[C@@H](O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 328654959 XWOWSHRZCFKBMU-XJKSGUPXSA-N 307.438 2.211 0 50 DEAA CN1CCN(C(=O)c2cccc3cc[nH]c23)C[C@@H]1c1ncc[nH]1 328621513 HTUUYEFJFKTPOY-CQSZACIVSA-N 309.373 2.020 0 50 DEAA Cc1c(O)cccc1C(=O)NCCc1nnc(S)n1C(C)C 152859042 SYLPAUVXHIAKLJ-UHFFFAOYSA-N 320.418 2.134 0 50 DEAA Cc1c([C@H]2OCC[C@@H]2NC[C@H](O)c2cccc(F)c2)cnn1C 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310.401 2.293 0 50 DEAA Cc1ccccc1CNC(=O)[C@H]1CCO[C@@H]1C1CCN(C)CC1 284821209 UYEMWEHQICKMNV-ZWKOTPCHSA-N 316.445 2.358 0 50 DEAA COc1ccc(NC(=O)N[C@H](C)c2cnn(C)c2C)c(C)n1 178033440 OIXOJINDXSZNAK-SECBINFHSA-N 303.366 2.323 0 50 DEAA CO[C@@H]1CCOC[C@H]1NC(=O)c1[nH]c2ccccc2c1Cl 426733992 JFYVINFQBVDNCZ-VXGBXAGGSA-N 308.765 2.355 0 50 DEAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)O)nc2)C12CCC2 177808376 FCQLWQLCECDKBI-ZIAGYGMSSA-N 318.373 2.200 0 50 DEAA CCCc1nnc(N[C@H]2CC(=O)N(Cc3ccccc3)C2)o1 95389437 MJEXMTHFNKJZSV-ZDUSSCGKSA-N 300.362 2.235 0 50 DEAA CN(C)[C@@H](C(=O)NCC(C)(C)N1CCCC1)c1ccccc1F 95387965 MGZDASJQVNGQNK-MRXNPFEDSA-N 321.440 2.419 0 50 DEAA COc1ccc(N2C[C@H](Nc3ncnc(C)c3C)CC2=O)cc1 95392052 QFPMZHFJCWBBJA-CYBMUJFWSA-N 312.373 2.319 0 50 DEAA CNC(=O)[C@@H](NC(=O)Nc1cnn(C(C)C)c1)c1ccccc1 96138179 NUKDXTYLFPOLDC-AWEZNQCLSA-N 315.377 2.073 0 50 DEAA CNC(=O)CSCc1ccc(N2CCC(OC)CC2)cc1 295152385 GDDOTKVVYFSNDI-UHFFFAOYSA-N 308.447 2.281 0 50 DEAA Nc1nc(NCc2ccc(F)cc2F)cc([C@H]2C[C@@H](O)C2)n1 244748641 OLOXJRMTEIXGDJ-JGZJWPJOSA-N 306.316 2.187 0 50 DEAA Cc1[nH]c(C(=O)NC2(CC(=O)O)CCCCC2)c(C)c1C(=O)O 244778651 PUHODMNXOBNNOX-UHFFFAOYSA-N 322.361 2.237 0 50 DEAA CCOc1nc(C)ccc1C(=O)N1CC[C@@H](O)C12CCCC2 297715590 GOVXYWHWMWUODM-CQSZACIVSA-N 304.390 2.308 0 50 DEAA N[C@@H]1CCC[C@@H](C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 299747623 DKZVVRJIPFRDOY-IOASZLSFSA-N 324.371 2.382 0 50 DEAA CNC[C@@H]1CCN(C(=O)c2cccn2CCc2ccccc2)C1 299738902 IFXAKYCMGVAUOM-KRWDZBQOSA-N 311.429 2.412 0 50 DEAA O=C(NCCc1cnc(O)nc1O)Nc1ccccc1C1CC1 299800939 JRTMJUGWRMFVKN-UHFFFAOYSA-N 314.345 2.129 0 50 DEAA CC[C@H](C)NC(=O)CN(C)CCc1nc2c(C)cccc2[nH]1 299793353 IYXSBIJYDBAWKY-ZDUSSCGKSA-N 302.422 2.260 0 50 DEAA Cc1c(NC(=O)NC[C@H]2COCCO2)cccc1N1CCCC1 299761865 ZNMZTVPXXZKIJL-AWEZNQCLSA-N 319.405 2.132 0 50 DEAA C[C@H](CNC(=O)COc1ccsn1)COCc1ccccc1 1362083550 FTRRGGBSMXFTEM-CYBMUJFWSA-N 320.414 2.491 0 50 DEAA O=C(CCCn1cccc1)NCc1cnc(Br)cn1 408516708 QQJIFDXIKPOSEP-UHFFFAOYSA-N 323.194 2.137 0 50 DEAA CNC[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 269101876 DFAYWBMITYTYQI-NHYWBVRUSA-N 308.809 2.102 0 50 DEAA Cc1ncc(C(=O)NC[C@@H](C(=O)O)C2CCCCC2)c(C)n1 630265044 KYVNNYAFNPBZMS-CQSZACIVSA-N 305.378 2.104 0 50 DEAA O=S(=O)(C[C@@H]1CCC1(F)F)N1C[C@H](C2CC2)[C@@H]1C1CC1 632414787 JMXINZXCRAQTSD-XQQFMLRXSA-N 305.390 2.482 0 50 DEAA Cn1cncc1[C@@H]1C[C@H](NCc2cnn3ccccc23)CCO1 275715347 YQLBOJRWIOCOCZ-PBHICJAKSA-N 311.389 2.078 0 50 DEAA O=C(NCCn1cccc1)Nc1ccc(Br)cn1 170084692 ROVJPDRBJMBPHI-UHFFFAOYSA-N 309.167 2.467 0 50 DEAA CC[C@@H]1C[C@@H](C(=O)N2CCc3ccccc3[C@@H]2CO)CCO1 170084101 QKZUINWPHIHZJO-UXLLHSPISA-N 303.402 2.310 0 50 DEAA CNC(=O)[C@H](NC(=O)[C@@H](C)SCc1ccccc1)C(C)C 170681680 UDTHKPPJBORYSA-TZMCWYRMSA-N 308.447 2.195 0 50 DEAA O=C(Cn1ccc(=O)c2ccccc21)N1CC[C@@H]1C(F)(F)F 646285157 MEAFTWBSTOPDFS-CYBMUJFWSA-N 310.275 2.165 0 50 DEAA Cc1ncoc1CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 585132914 GOWVGGNBWUOQNU-HNNXBMFYSA-N 317.370 2.328 0 50 DEAA CCn1c(O)nnc1S[C@@H]1CCN(C(=O)OC(C)(C)C)C1 585119151 UACXLKYOQGRQFQ-SECBINFHSA-N 314.411 2.105 0 50 DEAA CC1(C)[C@H](CNC(=O)c2ccc(OCC(=O)O)cc2)C1(F)F 659783997 WRCIRKJMBWZGKG-NSHDSACASA-N 313.300 2.171 0 50 DEAA CCN(C(=O)c1[nH]c(O)nc1C)[C@@H]1CCCc2cccnc21 1615056479 NTGVQAXSTAIVCA-GFCCVEGCSA-N 300.362 2.358 0 50 DEAA Cc1ccc(CC2CCN(C(=O)Cc3cnnn3C)CC2)cc1 1615557529 PGLYGZRBJHPEIY-UHFFFAOYSA-N 312.417 2.147 0 50 DEAA O[C@@H](CN[C@@H]1CCCN(c2cccc(F)c2)C1)CC1(O)CCC1 1615587571 HQWNYBDVFUHGDG-NVXWUHKLSA-N 322.424 2.050 0 50 DEAA Cc1cc(C)n(C[C@H](C)N2CCN(c3ncccc3C)CC2)n1 1506396011 DOBWDYLTMCZPEN-KRWDZBQOSA-N 313.449 2.414 0 50 DEAA Cn1nc(-c2cc(F)cc3cccnc23)nc1N1CCOCC1 1506420542 ICSVAJOLWBTWHV-UHFFFAOYSA-N 313.336 2.006 0 50 DEAA CC(C)c1noc([C@@H]2CCCN2c2ncccc2C(N)=O)n1 1529154237 IHIABDLPEHGUSO-NSHDSACASA-N 301.350 2.028 0 50 DEAA CCC[C@H]1COC[C@H]2CN(C(=O)c3sccc3C)CCN12 1529168797 LYXDCJBPMNNETB-UONOGXRCSA-N 308.447 2.382 0 50 DEAA C[C@H]1CN(C(=O)c2cnc(C(C)(C)C)s2)C[C@H](C)S1=O 408340423 DWVNXPAXJHMJOJ-UWVGGRQHSA-N 314.476 2.422 0 50 DEAA CC1(C)[C@H](O)C[C@H]1NC(=O)c1cc(F)ccc1Br 128825407 GYDJUHFHGBJGMS-GHMZBOCLSA-N 316.170 2.477 0 50 DEAA CCC[C@]1(C(=O)O)CN(c2ncc(C(C)C)cn2)CC[C@@H]1O 1704300592 ZAVAZXCTUBJMDR-BBRMVZONSA-N 307.394 2.042 0 50 DEAA C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 123930320 ITAYXGFEUMHWSA-ZJUUUORDSA-N 320.817 2.227 0 50 DEAA c1ccc(CC[C@]23CNC[C@H]2CN(C2CCOCC2)C3)cc1 1772703838 FMNSPCOFGGGOOQ-PKOBYXMFSA-N 300.446 2.320 0 50 DEAA Cc1cccnc1C[C@H](C)N(C)C(=O)c1c(C)nn2ncccc12 1775981193 QSDMZNOBENSWDJ-ZDUSSCGKSA-N 323.400 2.444 0 50 DEAA CCN(CC)C[C@@H](O)COc1ccc(CNC2CC2)cc1OC 11842430 DHBWZYVBUUWDMT-MRXNPFEDSA-N 322.449 2.029 0 50 DEAA O=C1C[C@@H](NCCCn2cccn2)CN1CC1CCCCC1 12572154 HXPGJKSYAKUNCJ-MRXNPFEDSA-N 304.438 2.044 0 50 DEAA Cc1cnc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)cn1 12705047 AZBTVIVGMBCOBZ-INIZCTEOSA-N 311.385 2.259 0 50 DEAA O=c1ccc(-c2nnc(S)n2-c2ccc(F)c(Cl)c2)n[nH]1 13545027 FLZZTUOYXMSHAI-UHFFFAOYSA-N 323.740 2.099 0 50 DEAA Cc1ccc(-c2ccc3nnc(CNC(=O)C4CC4)n3n2)cc1 169778458 PYZRBVWYTBTJTI-UHFFFAOYSA-N 307.357 2.126 0 50 DEAA O=C(NCCCn1ncc2ccccc21)[C@@H]1CCn2nccc2C1 1857738672 SGMOYBKMTLVHKI-CQSZACIVSA-N 323.400 2.002 0 50 DEAA CN[C@@H]1CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 133899534 DABAXYOGPYAOBZ-GFCCVEGCSA-N 316.323 2.295 0 50 DEAA O=C1NCCN1CCN1CCC[C@@H](c2nc3ccccc3o2)C1 377274633 AYZKQEAMRBEJHW-CYBMUJFWSA-N 314.389 2.032 0 50 DEAA Cc1cc(Cl)ccc1NC(=O)CSc1nccc(=O)[nH]1 8012749 HMFPAVQSKDSFKM-UHFFFAOYSA-N 309.778 2.463 0 50 DEAA CCn1nc(C)c(CNC(=O)c2ccc(Cc3ccccc3)[nH]2)n1 823202113 NIKGZANCPRKMGQ-UHFFFAOYSA-N 323.400 2.455 0 50 DEAA COCCN1[C@H]2CC[C@H]1CC(N[C@H](CO)c1ccc(F)cc1)C2 925421928 GQWNVDMWVJUJLP-OKZBNKHCSA-N 322.424 2.091 0 50 DEAA C[C@H]1CN(CCNC(=O)Nc2ccc(C3CCC3)cn2)CCO1 931574268 MUWMJQJRAAEIHM-ZDUSSCGKSA-N 318.421 2.191 0 50 DEAA O=C(O)CCN1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 262365419 DMACWHYIHHJPPR-DLBZAZTESA-N 302.418 2.448 0 50 DEAA COc1ccc([C@]2(O)Nc3cc(Br)cnc3N2)cc1 19626620 IOSNJLJPSXEGLR-ZDUSSCGKSA-N 322.162 2.493 0 50 DEAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCc1ccccc1C1CCC1 2325768552 WLBMIZRSBTUYHP-MLGOLLRUSA-N 315.417 2.278 0 50 DEAA CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC1C[C@H]3[C@H](C1)C3(C)C)C2 2325794567 HXICMLUIRLVPFW-WEVKLEIESA-N 306.494 2.490 0 50 DEAA O=C(C[C@@H]1OCCc2ccccc21)N[C@@H]1c2ccccc2C[C@H]1O 110660128 AYEIGOLBNLWEME-WSTZPKSXSA-N 323.392 2.465 0 50 DEAA O=C(Cc1ccc2c(c1)OCCO2)c1c(O)cc(O)cc1O 238478 PKOYQBUAMKAMST-UHFFFAOYSA-N 302.282 2.000 0 50 DEAA aggregator,biogenic OC[C@H](Cc1cccc(O)c1)[C@H](CO)Cc1cccc(O)c1 2557414 DWONJCNDULPHLV-HOTGVXAUSA-N 302.370 2.100 0 50 DEAA endogenous,in-man COc1ccc(CN(C)[C@@H]2C[C@@H]3CNC(=O)C[C@@H]3C2)cc1C 2356159043 JIGZALYYPGCVDN-XHSDSOJGSA-N 302.418 2.350 0 50 DEAA CCc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2)cc1 2944367 JDIULEQQMTYZLG-INIZCTEOSA-N 312.369 2.037 0 50 DEAA CCOc1ccc(NC(=O)C(=O)NCc2ccccc2F)cc1 4856942 VPROSYKXLMFXOD-UHFFFAOYSA-N 316.332 2.479 0 50 DEAA C[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 6698420 HEXBMOPRBNDPCZ-IUODEOHRSA-N 322.430 2.456 0 50 DEAA Cc1cccc(OC[C@H](O)CN2CCC[C@@H](c3ncc[nH]3)C2)c1 221947264 SMZPHJMOQPFCLU-HZPDHXFCSA-N 315.417 2.337 0 50 DEAA Cc1ccn(CCNC(=O)c2ccc([C@@H]3CCCN3)s2)n1 20452268 MBWQPJOPMGAFCR-LBPRGKRZSA-N 304.419 2.108 0 50 DEAA Cc1cccc(CN2CCN(C(=O)[C@@H]3CCCCO3)CC2)c1 55393139 JQZNRFCRZCPANL-KRWDZBQOSA-N 302.418 2.208 0 50 DEAA CC[C@@H](Nc1cccc(OC)c1)C(=O)NC1(CO)CCCC1 55224589 PMNUPWQBZPEQJN-OAHLLOKOSA-N 306.406 2.307 0 50 DEAA COc1ccc(Cl)cc1-n1c(Cc2ccncc2)n[nH]c1=O 65398808 DICCIUDLPQVFAP-UHFFFAOYSA-N 316.748 2.208 0 50 DEAA O=C(Cc1ccc(O)cc1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 348265566 WRZYJROCRZMGGQ-IAGOWNOFSA-N 315.344 2.408 0 50 DEAA COCCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 20100446 QJTKJWQOQDJMEN-UHFFFAOYSA-N 308.397 2.190 0 50 DEAA Cc1nc2cc(C(=O)Nn3cnnc3)ccc2n1-c1ccccc1 67714170 UWPCHEZKZLUFQF-UHFFFAOYSA-N 318.340 2.309 0 50 DEAA CCNC(=O)[C@H](C)NC(=O)c1oc2cc(OC)ccc2c1C 67675547 XAMMAKPIQNGVHP-JTQLQIEISA-N 304.346 2.004 0 50 DEAA Cn1c(=O)n(C)c2cc(Cn3cc([C@@H]4CC=CCC4)nn3)ccc21 67846797 UABBBOHTVJOZOT-CQSZACIVSA-N 323.400 2.341 0 50 DEAA CC(C)Cc1noc([C@@H]2CCCN(Cc3cnc(N)nc3)C2)n1 65530174 HWUAYBUTWVGZBO-CYBMUJFWSA-N 316.409 2.020 0 50 DEAA C[C@H](C1CC1)N(C)S(=O)(=O)N[C@H]1CCc2ccccc2C1 252017794 WMQDJVIQORMTCP-WBMJQRKESA-N 308.447 2.109 0 50 DEAA COc1ccc(C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)cc1 204532 RMRWFOKTWCWBOO-ZDUSSCGKSA-N 320.242 2.116 0 50 DEAA COCC1(NC(=O)c2ccccc2[C@@H]2CCNC2)CCCC1 72159045 JKAOWPHTGLQGDP-CQSZACIVSA-N 302.418 2.453 0 50 DEAA CCO[C@H](C)c1noc(CN2CCC[C@@H](c3ccnn3C)C2)n1 229728078 LZHYOKLVBFJHHJ-CHWSQXEVSA-N 319.409 2.280 0 50 DEAA CO[C@@H](C)c1nsc(N2CCN(c3ncccc3F)CC2)n1 253398090 LDHDXPJGHDQAPV-JTQLQIEISA-N 323.397 2.106 0 50 DEAA Cc1nnc([C@H]2CN(C(=O)c3cc(C)c(C)s3)CCO2)o1 328610358 HKABCEUHFYFGKL-LLVKDONJSA-N 307.375 2.270 0 50 DEAA CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(OC)nn1 253433516 XUNAUJDJIMNCOD-ZDUSSCGKSA-N 315.377 2.069 0 50 DEAA NC(=O)c1ccccc1N1CC[C@H](Nc2nc3ccccc3o2)C1 362994218 LXIKAFFHQADUKG-LBPRGKRZSA-N 322.368 2.618 0 50 DEAA CN(CC(=O)NCCc1nc2ccccc2o1)Cc1ccncc1 219292983 TXDSNOQXYYSPRD-UHFFFAOYSA-N 324.384 2.014 0 50 DEAA Cc1cc(-n2cccn2)ccc1CN(C)C[C@H]1COCCO1 215929227 UNDKFSNPGCYFTJ-KRWDZBQOSA-N 301.390 2.028 0 50 DEAA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1ccc2[nH]nnc2c1 219327009 IUMQOHZLVPXOJE-UHFFFAOYSA-N 312.377 2.003 0 50 DEAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)Nc2ccccc2Cl)CC1=O 363274724 OEPZAQCUMJBJSJ-GBIKHYSHSA-N 307.781 2.471 0 50 DEAA O=C(NC[C@H]1CCCCO1)C1CCN(Cc2ccco2)CC1 216392207 CVPAMTRPGVBZSO-OAHLLOKOSA-N 306.406 2.177 0 50 DEAA CC(C)[C@H](CCO)NC(=O)c1cnc(S)n1-c1ccccc1 155615137 VAAOSUDDWZEILY-ZDUSSCGKSA-N 319.430 2.298 0 50 DEAA O=C(NCCCc1nc2c(s1)CCCC2)c1csnn1 171462412 LODIHVWNAUOJES-UHFFFAOYSA-N 308.432 2.236 0 50 DEAA CN1CCC[C@H](CNC(=O)c2cnns2)[C@@H]1c1cccs1 129725379 BXXAXXMMXFJJJC-ZWNOBZJWSA-N 322.459 2.413 0 50 DEAA CCc1nnc(C)cc1C(=O)N1CCCC[C@H]1CCC(=O)O 262072029 GGEQQSRQIJZITA-LBPRGKRZSA-N 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311.470 2.362 0 50 DEAA CC1(C)CNCC[C@@H](Nc2cc(C(F)F)nc3ncnn23)C1 906094626 OTHMLVCKHLUGLN-SECBINFHSA-N 310.352 2.252 0 50 DEAA Cn1ccc(CN2CCc3nc[nH]c3[C@@H]2c2ccccc2)cc1=O 931794653 GBERTFOBZFWKNV-IBGZPJMESA-N 320.396 2.256 0 50 DEAA Cc1cccc([C@H](C)NC(=O)C[C@@]2(O)CCCN(C)C2)c1C 863981879 QKSHAAXAQIQOQY-YJBOKZPZSA-N 304.434 2.327 0 50 DEAA O=C(N=c1cnn(-c2ccccc2)[nH]1)N1CCC[C@H]1c1ccon1 1875289491 WLEIJLJIBWPFRA-AWEZNQCLSA-N 324.344 2.046 0 50 DEAA CC[C@H](NC(=O)/C=C/CN(C)C)[C@H](O)c1ccc(Cl)cc1 1875379026 MEXATZLRMXHBDV-HMRWBYCRSA-N 310.825 2.386 0 50 DEAA C[C@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc(-n2ccnc2)cc1 886096746 CDJOSIQDHGWRBG-VIBAHUMZSA-N 323.400 2.094 0 50 DEAA Cn1cc(C(=O)NCc2csc(O)n2)c(C2CCCC2)n1 896687742 BFIPIGXHBMHDED-UHFFFAOYSA-N 306.391 2.170 0 50 DEAA Cc1[nH]c2ccccc2c1C(=O)N(C)[C@@H]1CC[S@@](=N)(=O)C1 1775987811 OUYZKLKEQYKDJA-WSVYEEACSA-N 305.403 2.367 0 50 DEAA O=C(NCC=C(Cl)Cl)c1ccnc(NC(=O)C2CC2)c1 898307621 OPZFYPYPBGXWRK-UHFFFAOYSA-N 314.172 2.479 0 50 DEAA CC[C@H](CC(=O)Nc1ncc(C2CCNCC2)s1)C(=O)O 2325806775 GCKWWVOIAFIJCJ-SECBINFHSA-N 311.407 2.050 0 50 DEAA O=C(Nc1cn[nH]c1)c1cc2c(Br)[nH]nc2s1 2325840728 NJAQAIPOUOLOMK-UHFFFAOYSA-N 312.152 2.362 0 50 DEAA CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 443517 LLZAZVYLGFNWDN-UHFFFAOYSA-N 318.398 2.012 0 50 DEAA CCCn1nnc(NC(=O)COc2ccc3ccccc3c2)n1 469824 MRQRWLPPLZXIMZ-UHFFFAOYSA-N 311.345 2.254 0 50 DEAA CCC[C@]1(C(=O)O)CCN(c2cccc(SC)n2)C[C@H]1O 2356143289 BLTZGIQDOYOMRX-ABAIWWIYSA-N 310.419 2.246 0 50 DEAA N=c1[nH]c(CCC(=O)N2CCCc3ccccc3C2)cs1 2356152453 KCVCDHDEFSAFAU-UHFFFAOYSA-N 301.415 2.463 0 50 DEAA Cc1nc2c(NC(=O)Cc3noc4ccccc34)cccn2n1 2356166746 LZKJYMAVSVCQSS-UHFFFAOYSA-N 307.313 2.360 0 50 DEAA Cc1ccc(Cn2ncc3c(NCCN(C)C)ncnc32)cc1 6759430 MXDDBHICKBIYBT-UHFFFAOYSA-N 310.405 2.157 0 50 DEAA COc1cccc(N2C[C@H](C(=O)N3CCCCCC3)CC2=O)c1 8247533 VFZYCXHUIMIMFF-CQSZACIVSA-N 316.401 2.451 0 50 DEAA CC1(CNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)COC1 135406110 HDEUHXWNVADLLF-CYBMUJFWSA-N 321.396 2.130 0 50 DEAA CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc(C)c(Cl)c1 54244991 ASEQLWXHPPCIOY-ZDUSSCGKSA-N 310.781 2.224 0 50 DEAA C[C@H](O)C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 67855393 RMXPGCLSTFJMQA-NSHDSACASA-N 317.364 2.303 0 50 DEAA CN(Cc1cc(-c2cccnc2)no1)C(=O)C(=O)c1ccco1 67946825 YMTUOBQPDCLYDZ-UHFFFAOYSA-N 311.297 2.171 0 50 DEAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cccnc2NC)C1 67641003 IRXNYPNNICPPQI-ZDUSSCGKSA-N 313.405 2.429 0 50 DEAA Cc1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)nc(C)n1 65417200 QKBWMTSONBJZFG-KRWDZBQOSA-N 324.428 2.440 0 50 DEAA CCn1nc(C)cc1C(=O)N1CCCC[C@H]1CCn1ccnc1 67714425 JECUVGRSGNVXOM-HNNXBMFYSA-N 315.421 2.493 0 50 DEAA CCC[C@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 67622781 FUGCJUVINWXVJF-NSHDSACASA-N 312.435 2.309 0 50 DEAA CCCCc1nc(CN2CCN(CC(C)C)[C@H](CCO)C2)c[nH]1 39356894 FNWRTBPCWJDDHS-QGZVFWFLSA-N 322.497 2.277 0 50 DEAA CSCc1ccc(C(=O)N2CCC[C@]3(CC2)CNC(=O)O3)o1 72164358 MSAINLPOXRPVCO-HNNXBMFYSA-N 324.402 2.247 0 50 DEAA CC1(C)CN(CC(=O)NC2CCOCC2)CC[C@@H]1C(F)(F)F 252485671 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C[C@H](OCC(=O)N[C@@H]1CCOc2ccccc21)c1nccn1C 376359400 NMCKEWLBARLSML-GXTWGEPZSA-N 315.373 2.138 0 50 DEAA CCc1ccccc1-n1cc(O)c(C(=O)N[C@]2(C)CCOC2)n1 127830280 UJXUCTOUHVSQNT-QGZVFWFLSA-N 315.373 2.049 0 50 DEAA O=C(c1cccc2c1OCO2)N1CC[C@H](O)c2ccccc2C1 377248801 HPBCIHXTWFHLJY-HNNXBMFYSA-N 311.337 2.495 0 50 DEAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1ccc(O)cc1F 219867059 JOEPVXZOKLEUPE-NSHDSACASA-N 322.380 2.250 0 50 DEAA COc1ccc(CN2CCCC[C@H]2CC(=O)O)cc1C(=O)O 216296040 MTOBMEHTZCZJOH-LBPRGKRZSA-N 307.346 2.223 0 50 DEAA CNC[C@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 237260739 DENNTYQFAXFDOQ-CYBMUJFWSA-N 302.353 2.040 0 50 DEAA C[C@@H]1CSCCN(C(=O)c2cncc(-c3cnn(C)c3)c2)C1 377306702 GSNSRQILKATLAO-LBPRGKRZSA-N 316.430 2.307 0 50 DEAA CCCCCCN1CCC(Cn2cc(C[C@@H](C)O)nn2)CC1 48170826 GTYLDMMILMWJCS-OAHLLOKOSA-N 308.470 2.494 0 50 DEAA Cc1oc(C(=O)O)cc1S(=O)(=O)N[C@@H]1CCc2ccccc21 237667855 HHKFYTXDWIOFJJ-GFCCVEGCSA-N 321.354 2.252 0 50 DEAA CC1(C)CN(CCNc2cnc3cc(F)c(F)cc3n2)CCO1 172409601 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O=C(CCc1ccsc1)N1CCC2(CC1)OCCC[C@H]2O 91390998 LSQGKWWKKIUWGD-CQSZACIVSA-N 309.431 2.213 0 50 DEAA Cn1c(CN2CCC[C@@H](O)CC2)nnc1-c1ccc(Cl)cc1 293114519 LXZGBOMDIVOFLW-CQSZACIVSA-N 320.824 2.482 0 50 DEAA O=C1C[C@@H](C(=O)NCCc2ccncc2)c2cc(F)ccc2N1 91644875 MTJGVOOPXHTPOG-CQSZACIVSA-N 313.332 2.005 0 50 DEAA Cc1cc(CNC(=O)c2ccc(CN3CCCC3)cc2)n(C)n1 97572142 DAZOYFALZUQLNU-UHFFFAOYSA-N 312.417 2.254 0 50 DEAA CC[C@H](O)Cn1ncnc1-c1c(C)nc2ccc(Cl)cn12 95375535 LJASPJBTTRNDDG-NSHDSACASA-N 305.769 2.326 0 50 DEAA COC[C@H](c1ccccn1)N(C)CC(=O)NCc1ccccc1 244866584 VYPUHIQFUMAWQH-QGZVFWFLSA-N 313.401 2.017 0 50 DEAA C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)CCS1(=O)=O 625729943 UIDUCOPCIFRIBZ-SNVBAGLBSA-N 322.430 2.029 0 50 DEAA C[C@@H]1c2cc(F)ccc2CCN1C(=O)NCCCC(=O)N(C)C 534581140 PWGFWRCXAHGKNC-GFCCVEGCSA-N 321.396 2.323 0 50 DEAA Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CCN(C2CCCCC2)C1 299792995 IGCSRGJJEZAFER-HNNXBMFYSA-N 318.465 2.340 0 50 DEAA COc1ccc(Cc2nc(-c3nnc4n3CCCCC4)n[nH]2)cc1 824674576 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O=C(c1ccccc1-n1cccn1)N1CCO[C@H](C(F)F)CC1 634157806 NFNANORUHWHIBP-AWEZNQCLSA-N 321.327 2.369 0 50 DEAA C[C@@H]1OCCC[C@H]1C(=O)Nc1cncc(Br)c1O 189844954 UKRPGSNXNPFUGU-JGVFFNPUSA-N 315.167 2.303 0 50 DEAA CO[C@@H]1C[C@@H](c2nncn2C)N(c2ncnc3cccc(C)c23)C1 583617297 CIZJUJVGARZFGI-OCCSQVGLSA-N 324.388 2.033 0 50 DEAA Cc1cccc(NC(=O)NC[C@H]2CC(C(F)(F)F)=NO2)n1 583651910 VSVRLFMMIIDDMY-MRVPVSSYSA-N 302.256 2.219 0 50 DEAA CC(C)(C)OC(=O)N[C@@]1(c2noc(C3CCC3)n2)CCOC1 585088472 CPZFOQIWBGJDDO-HNNXBMFYSA-N 309.366 2.477 0 50 DEAA NC(=O)[C@@H]1CC[C@@H]1c1nc(-c2ccc(Br)cc2)no1 585133811 WEBDPFAYDLMDSR-ZJUUUORDSA-N 322.162 2.478 0 50 DEAA Cc1cc(CNC(=O)[C@H]2NCCOc3ccccc32)cc(C)n1 1615553796 NPQOABUSHIQDQJ-KRWDZBQOSA-N 311.385 2.038 0 50 DEAA Cc1cc(C[C@H]2CN(Cc3cccc(O)c3Cl)C[C@@H]2O)on1 1615736622 MNOQICJYYXNGTG-WFASDCNBSA-N 322.792 2.377 0 50 DEAA Cn1nc(C2CC2)nc1CN1CCC(=O)Nc2cc(F)ccc21 1616029369 AYWCNMSKDYQAEY-UHFFFAOYSA-N 315.352 2.180 0 50 DEAA COc1cc(OC)nc(NCCc2nc3ccccc3o2)n1 1506429288 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301.346 2.157 0 50 DEAA CC(C)C[C@@H](NC(=O)c1cc(-c2ccccc2O)n[nH]1)C(=O)O 95390095 WPNIVJXPVTWLIF-CYBMUJFWSA-N 317.345 2.011 0 50 DEAA Cc1ccc2nc(C(=O)NCCCc3csc(N)n3)cn2c1 91616973 YBVACRANIMYKFP-UHFFFAOYSA-N 315.402 2.044 0 50 DEAA O=C(OCc1ccccc1)N1CCC2(CCCNC2=O)CC1 230568924 HYDIDLMVLFRIDJ-UHFFFAOYSA-N 302.374 2.315 0 50 DEAA CN1CCN(c2ccc(-c3cccc4cccnc34)nn2)CC1 97742724 JRJKRHLRVIPZJY-UHFFFAOYSA-N 305.385 2.444 0 50 DEAA CC[C@@H](C)[C@@H](CO)NC(=O)c1sc(-n2cccc2)nc1C 253413636 VGYZCEXOEPYVEU-ZYHUDNBSSA-N 307.419 2.379 0 50 DEAA CC(C)c1csc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 299765117 WGNGZIOVXKALCK-KBPBESRZSA-N 319.434 2.204 0 50 DEAA Cc1nc(-c2ccc(CNC(=O)[C@H]3CCCCO3)cc2)no1 299779728 QYVDVDVUDSLXSE-CQSZACIVSA-N 301.346 2.230 0 50 DEAA Cc1nn(C)cc1NC(=O)N1CCC(Oc2ccncc2)CC1 299787346 SVJMSRNUXGVXFG-UHFFFAOYSA-N 315.377 2.199 0 50 DEAA CC[C@@H](NC(=O)CN(C)Cc1cccnc1)c1ncccc1C 299789988 AFVVRZKHRYFVRS-MRXNPFEDSA-N 312.417 2.484 0 50 DEAA CSCCCNC(=O)c1ccc(-c2nc(C)nn2C)cc1 584885282 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O=C(NCc1nc2ncccc2o1)c1cc(=O)c2ccccc2o1 1857707801 ZWJLMBBLOBPISJ-UHFFFAOYSA-N 321.292 2.259 0 50 DEAA O=C1CN(Cc2ccn(C3CCCC3)n2)[C@@H]2CCCC[C@H]2N1 225279574 MZXXGUKKAYFMLM-HZPDHXFCSA-N 302.422 2.241 0 50 DEAA C[C@@]1(C(=O)O)CCN(C(=O)c2csc(-c3ccoc3)n2)C1 237359166 TYAUVERVUNXMSS-CQSZACIVSA-N 306.343 2.340 0 50 DEAA O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCc2ccccc2C1 127957007 OOQCUMHDTWSCPO-KRWDZBQOSA-N 322.412 2.428 0 50 DEAA C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)CC1CCOCC1 263005821 RQRSKZREJLTTIX-ZDUSSCGKSA-N 305.374 2.305 0 50 DEAA CNc1ncc(C(=O)N2CCC[C@@H](N3CCCC3)CC2)s1 162707898 VGSXWCSQIGYULL-GFCCVEGCSA-N 308.451 2.275 0 50 DEAA COc1cc(O)ncc1C(=O)N1CCC[C@H]1c1cccc(C)n1 934890919 ZUAHWHOBZDCKPA-AWEZNQCLSA-N 313.357 2.477 0 50 DEAA CCc1nocc1C(=O)N[C@H]1CC[C@@H](Cc2nnc(C)o2)C1 952890539 BYIWRPBLFPOKPS-MNOVXSKESA-N 304.350 2.070 0 50 DEAA CC(C)[C@@H](NC(=O)N[C@@H](C)Cn1cccn1)C1(CO)CCCC1 952878830 JKWYMQOAQAHDNN-LSDHHAIUSA-N 322.453 2.148 0 50 DEAA CN(C(=O)[C@H](N)c1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1O 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2.365 0 50 DEAA CCn1c(=O)c(C(=O)NCc2cccnc2)c(O)c2ccccc21 100504451 RVBCZKULBWPCRX-UHFFFAOYSA-N 323.352 2.052 0 50 DEAA CC[C@@H](C)NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100662768 BHDBPJHBGXHANO-SNVBAGLBSA-N 300.358 2.182 0 50 DEAA biogenic COc1coc(C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1=O 225604260 WMKNNFJVNJUMRB-UHFFFAOYSA-N 324.283 2.245 0 50 DEAA COC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(Cl)c2)CC1=O 9426551 XCPZCADGKSTICU-GHMZBOCLSA-N 310.781 2.162 0 50 DEAA O=S(=O)(/C=C/c1ccccc1)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 245289604 CZQFDJLACMDVHB-ZDAMLCHTSA-N 305.399 2.096 0 50 DEAA CC(=O)N=c1cc[nH]cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 343667368 HDFFVBVZOPKBRD-UONOGXRCSA-N 313.332 2.343 0 50 DEAA O=C(NCCCN1CCOCC1)c1csc2c1CCCC2 20379881 BECKIYVNPDBIIZ-UHFFFAOYSA-N 308.447 2.079 0 50 DEAA CC[C@@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)c1cccs1 67818617 RNKHXKIJQKFYTR-GFCCVEGCSA-N 305.403 2.258 0 50 DEAA CN(CCCn1cccn1)Cc1cnc(N2CCCCC2)nc1 215338434 YBAMVKNKFSGHRY-UHFFFAOYSA-N 314.437 2.186 0 50 DEAA 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CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1ccnc(O)c1 349084407 PAPSBXLACBDZMX-UHFFFAOYSA-N 324.340 2.098 0 50 DEAA Cc1ccccc1C1CCN(S(=O)(=O)c2cn(C)cn2)CC1 264404542 GDFBXKYOBCBOBH-UHFFFAOYSA-N 319.430 2.297 0 50 DEAA COC(=O)c1cnc(Sc2ncnn2C)cc1C(F)(F)F 804648675 JOMLHSSXZWRSOK-UHFFFAOYSA-N 318.280 2.167 0 50 DEAA COc1cnc(N2CCC[C@]3(CCc4cnc(C)nc43)C2)nc1 1704307531 JFJJGCAUKRXPHM-KRWDZBQOSA-N 311.389 2.068 0 50 DEAA C[C@H](Cc1ccccc1)N1CCC(NCc2cnn(C)n2)CC1 824376137 AZGJKPMEUBPYIL-OAHLLOKOSA-N 313.449 2.000 0 50 DEAA CCCC[C@@H](CC)CC(=O)N1CCC(O)(c2ncnn2C)CC1 952994400 SVSNPAYXSQWLNI-CQSZACIVSA-N 322.453 2.232 0 50 DEAA Cn1[nH]c([C@@H]2CCCN(C(=O)OCC3CCCCC3)C2)nc1=N 1875289255 BDCSJJXXJOXIDW-CYBMUJFWSA-N 321.425 2.124 0 50 DEAA COc1cccc(-c2n[nH]cc2CNC[C@]2(C)CCCN2)c1 1875272474 QGOYJXKNBYSAGV-KRWDZBQOSA-N 300.406 2.317 0 50 DEAA Cc1csc(NC(=O)Nc2ccnc([C@H]3CCCN3)n2)n1 1875282681 OKQIEAYOOBGOFO-SECBINFHSA-N 304.379 2.310 0 50 DEAA CC[C@H](C)[C@@H](NC(=O)[C@H]1CCCc2nnn(C)c21)C(F)(F)F 1875275561 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C[C@H](c1ccc(-c2ncc3ncn(C)c3n2)cc1)N1CCOCC1 2356168040 NBVWOHUFSZJKCZ-CYBMUJFWSA-N 323.400 2.424 0 50 DEAA CNC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)cs1 6681553 ZPDPWPGPDAOLHJ-UHFFFAOYSA-N 310.400 2.217 0 50 DEAA Cc1nnc(SCC(=O)N(C)CC[C@@H]2CCCCO2)s1 55307175 AAMJLOIHRYOKLZ-NSHDSACASA-N 315.464 2.356 0 50 DEAA O=C(CC[C@@H]1CCCCO1)N1CCN(Cc2ccccn2)CC1 110612499 RBAQQSZLWRDRDH-KRWDZBQOSA-N 317.433 2.075 0 50 DEAA CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc2cc[nH]c2c1 112849912 MHDKCBSZIWTKRY-LLVKDONJSA-N 308.403 2.063 0 50 DEAA c1ccc(-c2ncc(-c3nccn3CCn3ccnc3)cn2)nc1 67560715 ZULNPRSPYWABBA-UHFFFAOYSA-N 317.356 2.299 0 50 DEAA C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCCC[C@H]1C(N)=O 246877125 CMMKRKFYAOQUTA-GDLCADMTSA-N 324.808 2.268 0 50 DEAA CC(C)(C(=O)O)c1ccc(NS(=O)(=O)c2ccoc2)cc1 349045226 YPFBLNONZDLHGA-UHFFFAOYSA-N 309.343 2.443 0 50 DEAA CSCCCN1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67678217 LOAGQARWMJFXJI-UONOGXRCSA-N 309.431 2.319 0 50 DEAA COCCn1ccc(NC(=O)c2ccc3nc(S)oc3c2)n1 118884472 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321.373 2.018 0 50 DEAA COC(=O)c1ccc(CN2C[C@@H]3CN4CCCC[C@H]4[C@H]3C2)s1 241897278 TXGHUHMIVOIEGD-SNPRPXQTSA-N 320.458 2.451 0 50 DEAA CN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1noc2c1CCCC2 216288498 WENNWASQJXIWTM-UHFFFAOYSA-N 324.388 2.366 0 50 DEAA CCc1cc(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)ncn1 72131955 CUOKFBOVLWZAFM-MRXNPFEDSA-N 322.412 2.219 0 50 DEAA Cc1ccc(O)c(CN[C@H]2CCO[C@@H]2c2ccnn2C(C)C)n1 284719752 LLGSZWYSKQSJCR-GUYCJALGSA-N 316.405 2.493 0 50 DEAA C[C@H](C(=O)N1CCN(C(=O)[C@H](C)C2CC2)C[C@H](C)C1)C1CC1 456707175 WFZSNOSZZVGSML-BTTYYORXSA-N 306.450 2.386 0 50 DEAA Cc1cc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)ncn1 813569926 DLGSZWQJCOVKKU-UHFFFAOYSA-N 310.279 2.286 0 50 DEAA CCn1ncc(CN(C)C(=O)CC[C@@H]2CCCCN2C)c1C 426588952 JMNCLXMSVCEHTE-INIZCTEOSA-N 306.454 2.434 0 50 DEAA Cc1ccc(Cc2ccccc2C(=O)N[C@@H](C)C(N)=O)cc1F 426408885 DASSVNWNKUFDHE-LBPRGKRZSA-N 314.360 2.329 0 50 DEAA CCn1ncnc1[C@@H](NC(=O)c1ccc(C(C)=O)s1)C1CC1 223292521 BIHWEPMYJYZYBG-ZDUSSCGKSA-N 318.402 2.443 0 50 DEAA 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317.340 2.111 0 50 DEAA COC[C@@H]1C[C@@H](OC)CN1C(=O)Cc1c[nH]c2cccc(C)c12 344817574 PWCLIUBXMPFFBV-LSDHHAIUSA-N 316.401 2.281 0 50 DEAA Cc1cc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)[nH]n1 20914690 LQLJRFDFTOUIGJ-SFHVURJKSA-N 320.481 2.167 0 50 DEAA Cn1ccnc1CN1CCC[C@@H](Cn2cc(C(C)(C)C)nn2)C1 20235207 RTMAICYLQSTHEW-CQSZACIVSA-N 316.453 2.221 0 50 DEAA CCC(CC)n1ccc(C(=O)NC[C@@H]2CCNCC2(F)F)n1 423693641 HKDNBZMBCSULLQ-NSHDSACASA-N 314.380 2.219 0 50 DEAA Cc1cc([C@@H]2CCCN2C[C@@H](O)COCc2ccco2)on1 229510116 YWUBYYUQBPYHMN-HIFRSBDPSA-N 306.362 2.291 0 50 DEAA CCCn1cc(NC(=O)[C@H]2CC(c3ccccc3O)=NO2)cn1 1126403 WKQBCJCHDQEZKW-OAHLLOKOSA-N 314.345 2.130 0 50 DEAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)Cc1ccn(C)n1 328644337 ZCXLYXOGKFTQBA-GFCCVEGCSA-N 318.446 2.306 0 50 DEAA C[C@H](CC1CCOCC1)N[C@H]1CCO[C@@H](c2cncn2C)C1 328646184 SLXJCSZIBBWOFE-UKPHBRMFSA-N 307.438 2.435 0 50 DEAA COc1ccc(C[C@@H]2CC[C@H](CN3CCSCC3)O2)cn1 72474491 QUICLNPQXNJKLH-LSDHHAIUSA-N 308.447 2.229 0 50 DEAA 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CC(=O)N(C)c1ccc(NC(=O)[C@@H](N)CC2CCCCC2)cn1 1875339578 PAKDAKSCWVXHSF-HNNXBMFYSA-N 318.421 2.301 0 50 DEAA COC(=O)[C@@]12C[C@H]1CN(C(=O)c1cc(Cl)nc(Cl)c1)C2 1875370635 WUGGIPLQPDGTCZ-ISVAXAHUSA-N 315.156 2.024 0 50 DEAA O=C(Nc1ccnn1[C@H]1CCOC1)c1csc(C2CC2)n1 888585874 XRGDKCFDXQLKPP-JTQLQIEISA-N 304.375 2.431 0 50 DEAA COc1ccc(Br)nc1CNC[C@H]1CC[C@@H](O)C1 1775992025 OJTDWKDAFJLPGS-VHSXEESVSA-N 315.211 2.103 0 50 DEAA O=C(O)CN(Cc1ccccc1)C(=O)c1cnn2ccccc12 347388434 YVSHMCLDXWPQBV-UHFFFAOYSA-N 309.325 2.061 0 50 DEAA COc1ccc(OCC(=O)Nc2ccc(O)cc2C(=O)O)cc1 36337 INJNHVCOQAARDV-UHFFFAOYSA-N 317.297 2.117 0 50 DEAA biogenic C[C@@H](NC[C@@]1(C)CNCCOC1)c1ccc(-n2cccn2)cc1 2325813993 UUFDOYVFPJFGTK-CRAIPNDOSA-N 314.433 2.149 0 50 DEAA COC(=O)Cc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O 488872 TZOIQTSKYTZPQM-UHFFFAOYSA-N 318.325 2.093 0 50 DEAA biogenic COc1ccc([C@@H]2N=C(N)Nc3nc4ccccc4n32)c(OC)c1 543967 UJGIOLPSRNVVDU-OAHLLOKOSA-N 323.356 2.341 0 50 DEAA COCCCNC(=O)CCc1nc(-c2ccccc2C)no1 2216216 FBSLFXNOCXPRSK-UHFFFAOYSA-N 303.362 2.130 0 50 DEAA COc1ccc2c(c1)OC[C@H](CN=c1nc(C)c(C)c(C)[nH]1)C2 2356155028 UWJLJMCJCJZTPA-AWEZNQCLSA-N 313.401 2.496 0 50 DEAA O=C(NC[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)no1 6746386 NKHBGFFFTHOPDI-LLVKDONJSA-N 307.737 2.299 0 50 DEAA CC(C)NC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 9689660 OQMZARKDNUECJC-UHFFFAOYSA-N 303.387 2.054 0 50 DEAA Cc1noc(CCCC(=O)N2CCOC[C@@H]2CC2CCC2)n1 341389551 PIWRUCFKWHFBMD-AWEZNQCLSA-N 307.394 2.118 0 50 DEAA NC(=O)c1csc(CN2C[C@@H](CO)[C@H](c3ccsc3)C2)c1 250097854 QXBUKWLOKKHNJI-JSGCOSHPSA-N 322.455 2.116 0 50 DEAA CN[C@@H]1CCCN(C(=O)C(C)(C)c2ccc(OC)c(OC)c2)C1 133186804 BLEYYOWEZBIUFQ-CQSZACIVSA-N 320.433 2.192 0 50 DEAA CCOc1cc(CN2CCN(C(C)C)[C@@H](CCO)C2)ccc1O 23153308 KRASYLKJDHSMGZ-INIZCTEOSA-N 322.449 2.068 0 50 DEAA CC[C@H](NC(=O)c1ccc(Br)c(C)c1)C(=O)O 137443190 QMQACQAWJKWFOU-JTQLQIEISA-N 300.152 2.351 0 50 DEAA CCc1cc(N[C@H](c2nccn2C)C2CC2)nc(N(C)C)n1 65422883 QOQJHGMGIGSYDO-AWEZNQCLSA-N 300.410 2.402 0 50 DEAA COCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 20102767 ZZJHKXXTLALODD-UHFFFAOYSA-N 310.825 2.315 0 50 DEAA COc1ccc2c(c1)C[C@@H](NCCSc1ncn[nH]1)CC2 65462850 RRCFKJRGLIQZTL-ZDUSSCGKSA-N 304.419 2.053 0 50 DEAA O=c1[nH]nc(CCc2ccccc2)n1-c1ccc2c(c1)OCO2 67833620 JJNMSFRVGFNVMH-UHFFFAOYSA-N 309.325 2.075 0 50 DEAA C[C@H](c1ccc(S(C)(=O)=O)cc1)N1Cc2ncccc2C1=O 65409898 GNFLXZBVMIMMQI-LLVKDONJSA-N 316.382 2.202 0 50 DEAA CCc1ocnc1C(=O)N1CCC[C@H](C(=O)c2ccccn2)C1 67675146 UTZXWVPPFLXOEG-LBPRGKRZSA-N 313.357 2.367 0 50 DEAA COc1ccccc1-n1nc(CC(C)C)nc1CCCC(N)=O 65432507 RZBANNDZTJHKIV-UHFFFAOYSA-N 316.405 2.282 0 50 DEAA COc1ccc(CNC(=O)C2(C(=O)O)CC2)c(C(F)(F)F)c1 118958734 BOZCQUDXKWXQTD-UHFFFAOYSA-N 317.263 2.195 0 50 DEAA NCCCCn1cc(C(=O)NCCCC2CCCCC2)nn1 422992474 CQDBJCXTDVGMFH-UHFFFAOYSA-N 307.442 2.107 0 50 DEAA CN(Cc1cscn1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 352904094 SISSFNHCBHZVNM-XJKSGUPXSA-N 319.478 2.392 0 50 DEAA C[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)[C@@H]1CCCO1 229167131 VSSOBIJGPGEGEH-XQQFMLRXSA-N 311.451 2.218 0 50 DEAA OCC1CCN(c2nncc(-c3ccc(Cl)cc3)n2)CC1 12593319 AODLKWFCHBRPPU-UHFFFAOYSA-N 304.781 2.401 0 50 DEAA COc1ccc(C(=O)NCCc2c(C)n[nH]c2C)c(F)c1F 215135955 GGHKXKZYGGLCLD-UHFFFAOYSA-N 309.316 2.286 0 50 DEAA CN[C@@H]1CCCN(C(=O)Cc2ccc(Br)s2)C1 151034972 KQNGPCMTVNRNQZ-SECBINFHSA-N 317.252 2.264 0 50 DEAA C[C@H]1CN(C(=O)c2cnc(-c3ccccn3)s2)C[C@H](C)N1 153948827 AGHXSJJDKJHDFR-QWRGUYRKSA-N 302.403 2.028 0 50 DEAA NC(=O)CCNC(=O)c1ccc2cc(Br)ccc2c1 125154883 XQSHOSDARIQDPN-UHFFFAOYSA-N 321.174 2.208 0 50 DEAA Cc1ccccc1[C@@]1(O)CCN(C(=O)CCn2ccnc2C)C1 219309613 OSHDWBLYVFTQMZ-GOSISDBHSA-N 313.401 2.010 0 50 DEAA Cc1csc(S(=O)(=O)N2C[C@H](C)Oc3ncccc32)c1 332048744 YOQMBAFKYXSJRD-JTQLQIEISA-N 310.400 2.428 0 50 DEAA O=C(c1cccc2c1NCCC2)N1CCO[C@H](C(F)(F)F)C1 71767875 KTDVFJANVKZHSZ-LBPRGKRZSA-N 314.307 2.448 0 50 DEAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnn2ccccc12 261931088 STJWGGMKNWNBCE-ZLDLUXBVSA-N 313.357 2.192 0 50 DEAA Cc1nn(C)c2ncc(NC(=O)N3CCOC4(CCC4)C3)cc12 158704914 CWGZAZHSAIPPGE-UHFFFAOYSA-N 315.377 2.064 0 50 DEAA COCc1nn(C)cc1C(=O)N(Cc1ccccc1)CC(F)F 450042278 KJCRDMPDOPGWMU-UHFFFAOYSA-N 323.343 2.474 0 50 DEAA CCCc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)cc1 138720734 OISMPAIMYAZNKP-KBUPBQIOSA-N 303.358 2.456 0 50 DEAA CN(C)CCN(Cc1ccsc1)C(=O)[C@H]1CCC[C@@H](O)C1 222881764 GQOVOZMIYCATNZ-LSDHHAIUSA-N 310.463 2.189 0 50 DEAA CO[C@@H]1CCOC[C@H]1NC(=O)CSc1ccc(Cl)cc1 222473487 YBLHBVNJRKUQIU-CHWSQXEVSA-N 315.822 2.352 0 50 DEAA Cc1ccc2c(c1)[C@@H](N1C(=O)N[C@@H](Cc3c[nH]cn3)C1=O)[C@H](C)C2 288397851 QBPRMFSXJVPMFW-RLCCDNCMSA-N 324.384 2.115 0 50 DEAA CC(C)Cc1cc(C(=O)N(C)CCCc2nccn2C)n(C)n1 82136909 ZLDDJCCBACISOM-UHFFFAOYSA-N 317.437 2.057 0 50 DEAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(C(=O)c2ccoc2C2CC2)C1 284531910 GOFZMPUNYMVPLU-YPMHNXCESA-N 316.361 2.186 0 50 DEAA Cn1ncc2c(N3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)ccnc21 285197086 WIHSVVCRXQBIGK-JGGQBBKZSA-N 300.406 2.488 0 50 DEAA O=C(O)CC1(NC(=O)c2ccc3nccn3c2)CCCCC1 222604070 DRSTXSLGCXMVJI-UHFFFAOYSA-N 301.346 2.242 0 50 DEAA COC(=O)c1ccc(CNC(=O)c2nc(C)sc2C)cc1 178905075 WSUNYNYVNLPWJC-UHFFFAOYSA-N 304.371 2.477 0 50 DEAA CC(C)CN1CCN(Cc2ccc3c(c2)CCO3)C[C@H]1CCO 243901756 BDOYVUUYZPRWNV-GOSISDBHSA-N 318.461 2.146 0 50 DEAA Cc1cc(F)ccc1C(=O)N[C@H](C1CCNCC1)[C@H]1C[C@@H](O)C1 243932735 BYUUDCSDPVYWMI-UKPHBRMFSA-N 320.408 2.003 0 50 DEAA CCn1cc(CNC(=O)[C@@H](C)n2ccnc2C(C)C)c(C)n1 534651675 QZGGXQACXRHVGF-CYBMUJFWSA-N 303.410 2.409 0 50 DEAA NC[C@H]1CCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 299740220 XCRORFLRYOJPCE-CQSZACIVSA-N 311.385 2.081 0 50 DEAA O=C(NCCN1CCCCCC1)N1CCC[C@H](c2ncc[nH]2)C1 534654360 KZGSALAJPUGRIS-HNNXBMFYSA-N 319.453 2.175 0 50 DEAA Cc1nnc(CN2CCC[C@H](c3nnc4ccccn34)C2)s1 271389035 FRPWMFNQDYFRRZ-LBPRGKRZSA-N 314.418 2.269 0 50 DEAA COCCn1cnnc1CNC(=O)c1csc(C(C)C)c1 299801318 ZNZUJLBTDLIFJC-UHFFFAOYSA-N 308.407 2.039 0 50 DEAA CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCCn1cccn1 299754415 KUPGUSGRPUNXBB-IRXDYDNUSA-N 318.465 2.386 0 50 DEAA biogenic Cc1noc([C@@H]2CCN(C(=O)CCOc3ccccc3)C2)n1 299783979 VZPGLPZMMPBTJL-CYBMUJFWSA-N 301.346 2.163 0 50 DEAA CC(C)C1=NO[C@H](C(=O)NCCCn2ncc3ccccc32)C1 827792018 VUVJARFIKCBUJD-INIZCTEOSA-N 314.389 2.344 0 50 DEAA CCN1Cc2ccccc2C[C@H]1C(=O)N1C[C@H](C)O[C@H](C)C1 823118466 MWSQMHOUEOZFSJ-VBQJREDUSA-N 302.418 2.069 0 50 DEAA CSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1ccccc1O 670416039 AQCPFYJJMVKVHQ-QMMMGPOBSA-N 303.343 2.084 0 50 DEAA CCO[C@@H](c1nc(-c2ccc(CN)cc2F)no1)[C@@H]1CCOC1 872178744 RNCPUJSDZNUQPF-BXUZGUMPSA-N 321.352 2.449 0 50 DEAA COCCn1ccc2c(C(=O)N3CCc4nc[nH]c4C3)cccc21 888104753 KZMNQTLRFNEHSC-UHFFFAOYSA-N 324.384 2.209 0 50 DEAA COc1ccc(C(C)(C)CN2CCN(C(C)=O)CC2)cc1OC 1462005857 DCULPUXNAQGRFU-UHFFFAOYSA-N 320.433 2.146 0 50 DEAA Cn1ccnc1[C@@H]1CCN([C@H]2CCN(c3ccccc3)C2=O)C1 408513666 HRCMIIKIKRAXGQ-ZBFHGGJFSA-N 310.401 2.015 0 50 DEAA O=C(O)c1ccc(CNC(=O)[C@@H]2CCOc3ccccc32)o1 268901584 FWDFBVNEXRJVQU-GFCCVEGCSA-N 301.298 2.160 0 50 DEAA Cc1ccc([C@@H](C)NC(=O)c2cn(C)nc2[C@@H]2CCOC2)o1 275232665 DGLJNVARDVLAQS-VXGBXAGGSA-N 303.362 2.316 0 50 DEAA CC(C)(C)[C@@H]1CN(C(=O)C2(NC(N)=O)CC2)c2ccccc21 277985157 OYGSDKLHWOHEOP-GFCCVEGCSA-N 301.390 2.364 0 50 DEAA COc1nc(O)cc(C(=O)N2CCc3c(Cl)cccc32)n1 170085367 QPXJRJZMYOJLGF-UHFFFAOYSA-N 305.721 2.047 0 50 DEAA COC1([C@@H](C)NC(=O)c2cc3ccccc3c(=O)o2)CCC1 665662453 HGLTYFBVBMJFEI-LLVKDONJSA-N 301.342 2.480 0 50 DEAA CC[C@H]1Cc2ccccc2CN1C(=O)NCc1ccc(O)nn1 583248637 SZJFZRMDKOQSKO-HNNXBMFYSA-N 312.373 2.229 0 50 DEAA Cc1csc2c(N[C@@H](CC(N)=O)C3CCOCC3)ncnc12 192703791 IESJKAGRPCDVCX-NSHDSACASA-N 320.418 2.082 0 50 DEAA Cc1cc(CN2C[C@@H](F)C[C@H]2CNc2nccc(C)n2)on1 583622912 GLSQPVCPBPRWQQ-STQMWFEESA-N 305.357 2.106 0 50 DEAA Cc1cc(O)nc2ccc(NS(=O)(=O)C[C@@H]3CCCO3)cc12 585119203 WRVWUXPPBXWQKK-LBPRGKRZSA-N 322.386 2.170 0 50 DEAA COc1ccc(OS(=O)(=O)C2CCC(OC)CC2)cc1 585115737 QJBDQJYGOMADPO-UHFFFAOYSA-N 300.376 2.361 0 50 DEAA O=C(c1cnc(O)[nH]1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529095884 YINVDYRXVWBMKE-LSDHHAIUSA-N 313.357 2.108 0 50 DEAA Cc1ccc2oc(N3C[C@@H](O)[C@H](Cc4cc(C)[nH]n4)C3)nc2c1 1704335628 PLIRJCMOWPAERE-IUODEOHRSA-N 312.373 2.208 0 50 DEAA CC(C)(CC(=O)N(CCO)Cc1ncc[nH]1)c1ccccc1 1704325134 IZXZHYFSUOOSBF-UHFFFAOYSA-N 301.390 2.099 0 50 DEAA O[C@@H]1CCC[C@]12CCCN(Cc1nc(-c3ccco3)no1)C2 1704335967 DTZATDJYTWTQSL-CZUORRHYSA-N 303.362 2.457 0 50 DEAA COc1ccc(CCN2C[C@@H](NC3CCCC3)CC2=O)cc1 12713144 VNILENUFZWZPNT-INIZCTEOSA-N 302.418 2.371 0 50 DEAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 13116275 OPGXPSPPYQBWAN-TXEJJXNPSA-N 321.398 2.460 0 50 DEAA CCC[C@H](C)NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 16579697 GHWCPMSDFJJSPN-LBPRGKRZSA-N 312.435 2.391 0 50 DEAA O=C1C[C@H]2N(Cc3cc(Cl)ccc3F)CC[C@]23OCCCN13 1857739797 SUVZBWLQJXMLTG-ZBFHGGJFSA-N 324.783 2.402 0 50 DEAA Cc1nc(CC(C)C)sc1C(=O)N[C@@H]1CNCCC1(F)F 449666529 PTEKWOUABFSFTE-SNVBAGLBSA-N 317.405 2.377 0 50 DEAA Cc1ccc(C2=NO[C@@H](CNC(=O)[C@@H]3CCCO3)C2)cc1C 242346976 ZKTAUZUFJNHUKE-ZBFHGGJFSA-N 302.374 2.092 0 50 DEAA COc1cccc(C(C)(C)CNC(=O)NCc2ccnn2C)c1 137681150 LLARPLWJYZKERO-UHFFFAOYSA-N 316.405 2.206 0 50 DEAA O=C(Cc1cccc(Cl)c1F)NCCn1cnnc1C1CC1 354470284 ZGAUZXKKPYWGJY-UHFFFAOYSA-N 322.771 2.307 0 50 DEAA C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)[C@@H]1CCCOC1 253397142 WDCGKDJQGGFOQN-GDBMZVCRSA-N 318.417 2.091 0 50 DEAA COC(=O)c1c[nH]c(=O)c(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 151206955 DNNYXVRDVUHGMC-OLZOCXBDSA-N 318.373 2.316 0 50 DEAA C[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)c2ccccc21 154110391 VOGMFELNYPAFJD-CYBMUJFWSA-N 309.369 2.352 0 50 DEAA O=C(NCc1nccs1)[C@H]1CCN(Cc2ccc(F)cc2)C1 585090939 CJTLWCDMBYEFQE-ZDUSSCGKSA-N 319.405 2.421 0 50 DEAA CCc1ccccc1C(=O)N1CCC[C@@](COC)(C(=O)O)C1 262837272 GLYGUCVGVLVIKB-QGZVFWFLSA-N 305.374 2.202 0 50 DEAA COc1ccc(-c2cn([C@H](C)c3nnc(C)o3)nn2)cc1OC 900538803 SVFQRJTVWKBRMV-SECBINFHSA-N 315.333 2.263 0 50 DEAA O=C1[C@@H](c2nc(Cc3ccon3)no2)CCN1Cc1ccccc1 904008312 DDJKUQYKJAOWSY-CQSZACIVSA-N 324.340 2.165 0 50 DEAA Cc1nc(N2CC[C@@H](O)C2)ncc1-c1ccc2c(c1)C[C@H](C)O2 904744961 HUUDVNMHOYVQMC-XHDPSFHLSA-N 311.385 2.346 0 50 DEAA O=C(c1cc(C(F)F)ncn1)N1CCN[C@@H](c2ccccc2)C1 822089894 RGLKFZITTQJYCP-CQSZACIVSA-N 318.327 2.201 0 50 DEAA COc1nn(C)cc1NC(=O)N[C@H]1CCCc2ccccc2C1 931052433 COHGHHDIKLGKGY-AWEZNQCLSA-N 314.389 2.498 0 50 DEAA CC(C)(C)n1nnc(CN[C@@H]2CCC[C@@H]2Cc2ccccn2)n1 850387693 XQGLIGBSNHPZSO-UKRRQHHQSA-N 314.437 2.324 0 50 DEAA O=C(O)c1c[nH]nc1[C@H]1CCCCN1C(=O)c1ccncc1F 952890709 YMMFHMPSNGFQEL-GFCCVEGCSA-N 318.308 2.009 0 50 DEAA CON1CCC(CC(=O)N2CCC[C@]3(CCCCO3)C2)CC1 1875267777 CESNPFAIFJGLFR-QGZVFWFLSA-N 310.438 2.212 0 50 DEAA COC(=O)/C=C/CNC(=O)c1ccnc(OC2CCCCC2)c1 1875273382 UHKHVFPKVGTKDX-VMPITWQZSA-N 318.373 2.252 0 50 DEAA Cc1nnc(Cc2ccc(C(=O)N[C@H]3CCCC[C@@H]3O)cc2)o1 1875293678 ZBEYGJLVKSWVSZ-GJZGRUSLSA-N 315.373 2.002 0 50 DEAA CC1(C)[C@@H](O)[C@@H]2CCN(C(=O)c3ccc(-c4cn[nH]c4)cc3)[C@@H]21 1875311685 JSIZZJCBPKXZHX-PMPSAXMXSA-N 311.385 2.308 0 50 DEAA COc1cc2c(nn1)CCN(C(=O)CC1(C(F)(F)F)CC1)C2 888091095 HNTCJPJCJDNKSJ-UHFFFAOYSA-N 315.295 2.103 0 50 DEAA 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312.417 2.220 0 50 DEAA Cn1nnc2cc(C(=O)O[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)ccc21 246586904 ORPQJHAPIJUETK-KCPJHIHWSA-N 315.373 2.329 0 50 DEAA CCn1cc(C(=O)NCc2ccccn2)c(=O)c2ccccc21 22234377 VCDMPCFOVOAGSQ-UHFFFAOYSA-N 307.353 2.346 0 50 DEAA Cc1sc2ncnc(NCCc3nnc(N)s3)c2c1C 65406767 UJVICVZOTAUYEX-UHFFFAOYSA-N 306.420 2.396 0 50 DEAA CN1CCCC[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 230134011 GCMBYKVKSKHGDD-LSDHHAIUSA-N 321.490 2.486 0 50 DEAA CCn1cnnc1[C@@H]1CN(Cc2cccc3[nH]ccc23)CCO1 328642154 QWPBMLNDGDEALF-INIZCTEOSA-N 311.389 2.353 0 50 DEAA C[C@](O)(CNC1CCN(Cc2ccccn2)CC1)c1ccco1 253427163 IBDQWRJHSAYATN-SFHVURJKSA-N 315.417 2.136 0 50 DEAA C[C@@H](c1nncn1C)n1ccnc1-c1cc(CN(C)C)cs1 72121765 TUCQQYLIBQUONP-NSHDSACASA-N 316.434 2.411 0 50 DEAA COC(=O)[C@H](C[C@@H]1C=NC=N1)NCC12CC3CC(CC(C3)C1)C2 214469175 KKMJGUDIUVOQTI-PLENUKSMSA-N 317.433 2.205 0 50 DEAA CC(C)c1ccc(C[C@H]2CCN(CCC(=O)NC(N)=O)C2)cc1 363795974 IMYIEHFJLFNJRR-OAHLLOKOSA-N 317.433 2.259 0 50 DEAA 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2.364 0 50 DEAA biogenic Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2ccccc2)n1 1056688 MCBSZIDQUDBWTG-UHFFFAOYSA-N 318.340 2.476 0 50 DEAA in-vitro C[C@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3ccccn3)n21 2356158990 HGXOCAMCTOVFSU-ZDUSSCGKSA-N 319.368 2.444 0 50 DEAA O=C(O)c1cc(Br)c(=O)n(Cc2ccccc2)c1 3883963 QUWLOIDREFLJIY-UHFFFAOYSA-N 308.131 2.357 0 50 DEAA C[C@H]1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 6911935 DHWKNIIVGINTBY-HNNXBMFYSA-N 317.433 2.194 0 50 DEAA Cc1csc(-c2noc(-c3cccc(-n4cnnn4)c3)n2)n1 225594202 YFBBHXRRVAXWET-UHFFFAOYSA-N 311.330 2.144 0 50 DEAA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)C2CC=CC2)C1 347960181 VOFIKPWGCIEOQX-VXGBXAGGSA-N 304.312 2.011 0 50 DEAA CCCc1nc2ccccc2n1[C@@H](C)C(=O)N1CCCNCC1 55383210 ONOWSHUTPHVAPJ-AWEZNQCLSA-N 314.433 2.372 0 50 DEAA Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1NS(C)(=O)=O 103474076 KEIWFUPHZDXZCM-SLEUVZQESA-N 322.430 2.285 0 50 DEAA Cc1ccc(NCCCNC(=O)N(C)Cc2nccs2)nc1 174166582 SOFWBMCIUYKKKV-UHFFFAOYSA-N 319.434 2.490 0 50 DEAA O=C(CCN1CCCCCCC1)NC[C@H](O)c1ccccc1 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2.499 0 50 DEAA CCc1ccc(C(=O)N(Cc2cccnc2)C[C@H]2CCNC2)o1 328627215 FWEOOEQIYFEVRA-HNNXBMFYSA-N 313.401 2.489 0 50 DEAA CC(=O)N(C1CCC1)[C@@H]1CCCN(C[C@@H](O)C(F)(F)F)CC1 328622682 BMLOFVONAPLHQJ-ZIAGYGMSSA-N 322.371 2.165 0 50 DEAA CCc1oncc1C(=O)NCC(=O)Nc1cccc2cccnc12 253404667 CXQYPOUUWUCXSP-UHFFFAOYSA-N 324.340 2.154 0 50 DEAA CCn1cnnc1[C@H]1CN(Cc2ccc3ccccc3n2)CCO1 328639820 PQPQUKGGSGAFNA-QGZVFWFLSA-N 323.400 2.420 0 50 DEAA C[C@@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)C[C@@H](C)N1 153654317 RSZXVEWSDGMGCH-NXEZZACHSA-N 300.761 2.067 0 50 DEAA C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CCN1 155217294 GDSYRVGOBMOTOI-HONMWMINSA-N 323.234 2.373 0 50 DEAA Cc1cc(NC(=O)N2C[C@@H](C)C[C@@H](CO)C2)cn2ccnc12 332624551 OKWYLFXOANYMGX-WCQYABFASA-N 302.378 2.125 0 50 DEAA COc1ccnc(O)c1C(=O)NC[C@H]1Oc2ccccc2[C@H]1C 368269987 QFIKHNKZLCRREK-QMTHXVAHSA-N 314.341 2.090 0 50 DEAA c1csc(CN(Cc2cc[nH]n2)[C@@H]2CC23CCNCC3)n1 261669059 BUTRDGVKLUAAFB-CYBMUJFWSA-N 303.435 2.011 0 50 DEAA 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CCCC[C@H](CC(=O)O)NC(=O)c1cc2cc(C)ccn2n1 426399256 QAJGBDHCWWJBIM-GFCCVEGCSA-N 303.362 2.406 0 50 DEAA CC(C)c1noc(CN[C@@H](C)c2ccc3c(c2)NC(=O)CO3)n1 179840215 HNUOLCIDVPLRDK-JTQLQIEISA-N 316.361 2.375 0 50 DEAA COCc1cc(N2CCC(O)(c3ccc(F)cc3)CC2)ncn1 95367314 TZGWKMKMZJAPHE-UHFFFAOYSA-N 317.364 2.250 0 50 DEAA CC1(C)CC[C@H](N2CCCN(CC(=O)N3CCCC3)CC2)C1 253426832 BDIDOKLQSMPTIR-INIZCTEOSA-N 307.482 2.195 0 50 DEAA O=C(c1ccc(F)cc1Cl)N1CCC[C@H]1Cn1ccnn1 299739704 ACKUWRUWLVIXKK-NSHDSACASA-N 308.744 2.375 0 50 DEAA CCn1cc(O[C@@H]2CN(c3ccnc4ccccc34)C[C@H]2O)cn1 624420695 SZXVDXNDQUYUPC-QZTJIDSGSA-N 324.384 2.080 0 50 DEAA CC(C)n1cccc1C(=O)NCc1cccc(-c2nn[nH]n2)c1 534577237 XIVZGMKQNUYWLL-UHFFFAOYSA-N 310.361 2.179 0 50 DEAA Cc1ccn2nc(C(=O)NCc3nc(CC(C)C)no3)cc2c1 534578479 OJYYNVCEOYGUPC-UHFFFAOYSA-N 313.361 2.154 0 50 DEAA Cc1ccc2nc(C(=O)NCCC[C@H]3CCOC3)c(F)n2c1 299768797 MJOVLWNARUBJTL-LBPRGKRZSA-N 305.353 2.328 0 50 DEAA CC(C)(CC(=O)N[C@H]1COC[C@@H]1N1CCCC1)c1ccccc1 299779686 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C[C@@H](Cc1cccs1)NC(=O)c1c[nH]nc1[C@H]1CCOC1 275323093 QAKNSGHHNZSXOR-QWRGUYRKSA-N 305.403 2.336 0 50 DEAA COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c1 276411153 AYACCEJAMJTJFB-ARLBYUKCSA-N 319.401 2.227 0 50 DEAA Cc1cc(C)nc(C2CCN([C@@H](C)C(=O)NCC(C)C)CC2)n1 170607259 PQCPMPNKYQPBJU-HNNXBMFYSA-N 318.465 2.434 0 50 DEAA COc1ncncc1CN[C@H]1CCN([C@@H](C)c2ccccc2)C1 647179563 DKFLXNAMCNOXSQ-YOEHRIQHSA-N 312.417 2.410 0 50 DEAA O=C(NCc1nc2cccnc2[nH]1)[C@@H]1C[C@@]12CCc1ccccc12 194245050 ZEGYKGNJJOMZOX-IFXJQAMLSA-N 318.380 2.478 0 50 DEAA Cc1ccc(CN2CC[C@H](Nc3nnc(C)c(C)n3)C2=O)cc1 584089939 JWUYOGWLVGLCGO-HNNXBMFYSA-N 311.389 2.010 0 50 DEAA C[C@]1(c2nc(Cc3ccc(F)cc3Cl)no2)CCNC1=O 1615551856 QELMIXJCIKBJSG-AWEZNQCLSA-N 309.728 2.231 0 50 DEAA O=C(c1ccn(-c2ccncc2)n1)N1CCCC[C@]12CCOC2 1615614779 IWKSRNFGQPCBGL-QGZVFWFLSA-N 312.373 2.053 0 50 DEAA COCc1nc(C)cc(NCCn2cc(-c3ccccc3)nn2)n1 1616031702 PZWXQLSEJUOVHW-UHFFFAOYSA-N 324.388 2.302 0 50 DEAA 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COc1nccn2c(-c3ccc([C@@H]4CNC(=O)C4)cc3)cnc12 2356152790 AQRWKLLFBUHOSI-ZDUSSCGKSA-N 308.341 2.008 0 50 DEAA CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1 2686406 USFIKNCBNMEBBT-UHFFFAOYSA-N 319.386 2.021 0 50 DEAA O=C(O)Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1 4342589 RBOVUUFALDIUJI-UHFFFAOYSA-N 310.313 2.004 0 50 DEAA O=C(NCCOc1ccccc1Oc1ccccc1)c1nc[nH]n1 4607032 JTEYQHDSBNVAQE-UHFFFAOYSA-N 324.340 2.406 0 50 DEAA CC(=O)c1cccc(NC(=O)C(=O)NCc2cccs2)c1 4856989 DPEUKJXFGRUVEJ-UHFFFAOYSA-N 302.355 2.206 0 50 DEAA CCCNS(=O)(=O)c1ccc(NC(=O)N(CC)CC)cc1 4858358 MDGIQASAGHXHRD-UHFFFAOYSA-N 313.423 2.249 0 50 DEAA COCCc1noc(CN2CCc3c(F)cc(F)cc3C2)n1 225480792 ITWWNFGGUDJLDK-UHFFFAOYSA-N 309.316 2.095 0 50 DEAA Cc1ccc(NC(=O)N[C@H](C(=O)O)[C@@H]2CCOC2)cc1Cl 225708181 ZWNMVAIMFZTRQS-SKDRFNHKSA-N 312.753 2.260 0 50 DEAA CCc1ccccc1OCCN(C)C(=O)CC[C@H]1CCOC1=O 55309384 LDCAPQBGGUKZKB-HNNXBMFYSA-N 319.401 2.430 0 50 DEAA CCCC[C@@H](CO)NC(=O)CCC(=O)NC1CCCCCC1 55358795 ZOHXXBAAFFKNIK-HNNXBMFYSA-N 312.454 2.273 0 50 DEAA CC(=O)c1ccc(N2CCN(CCCC(=O)O)CC2)c(F)c1 116348950 JKEHXDXEPKLIKM-UHFFFAOYSA-N 308.353 2.015 0 50 DEAA CCn1c(CCc2ccccc2)nnc1SCC(=O)OC 17031216 XBQKKBSQQIDWOL-UHFFFAOYSA-N 305.403 2.348 0 50 DEAA CCc1nnnn1-c1ccccc1NC(=O)Cc1ccsc1 136629928 ZFJXCKUCIPNJET-UHFFFAOYSA-N 313.386 2.467 0 50 DEAA CSC[C@@H](C)C(=O)N1CC[C@@](O)(Cc2ccc(F)cc2)C1 422056884 NTXQQXYLFLFPGT-MLGOLLRUSA-N 311.422 2.331 0 50 DEAA CC(C)C[C@@H](C)OCCc1nc(-c2ccn(C)c(=O)c2)no1 351264296 OWVCERDRLYKHBS-GFCCVEGCSA-N 305.378 2.429 0 50 DEAA CCc1cn[nH]c1C1CCN(C(=O)[C@H](C)n2cc(C)cn2)CC1 67820008 ASWQJKVRQLHOBZ-ZDUSSCGKSA-N 315.421 2.444 0 50 DEAA CC[C@H](CCC(C)C)N1CCC2(CC1)N=C(N(C)C)NC2=O 63834041 CPRWHPIKTJFFKL-CQSZACIVSA-N 308.470 2.083 0 50 DEAA CC(=O)N(C)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 6820860 BWQLJWWQIZIBSQ-GJZGRUSLSA-N 316.357 2.275 0 50 DEAA O=C(Cc1cccc(Br)c1)N1CCN2CCC1CC2 364969298 FCKAQKYVCZXADH-UHFFFAOYSA-N 323.234 2.298 0 50 DEAA CNc1ccc(C(=O)N2CCCC[C@@H]2C(=O)OC(C)(C)C)cn1 253419617 LRYDRJXBPAHRKS-CYBMUJFWSA-N 319.405 2.460 0 50 DEAA COc1cccc([C@H]2CCCCN2C(=O)C2=NNC(=O)CC2)c1 215024295 ALSGZWLHAPPGIC-OAHLLOKOSA-N 315.373 2.015 0 50 DEAA O=C(O)C1CCN(C(=O)CCCOc2cccc(F)c2)CC1 238101107 VROWQPKENCTKLE-UHFFFAOYSA-N 309.337 2.308 0 50 DEAA Cc1cc(CNC(=O)c2cccc(CCC(C)(C)O)c2)nn1C 72418506 UELQZVNPBKSOHS-UHFFFAOYSA-N 315.417 2.362 0 50 DEAA Cc1cccc2c(CCC(=O)N[C@@H]3CCCCNC3=O)c[nH]c12 150913669 KVQCEKMAINEWNA-OAHLLOKOSA-N 313.401 2.194 0 50 DEAA Cc1cc(C(=O)N2CCC(N3CCC[C@H](O)C3)CC2)ccc1F 72168917 VRYFKQXIWAHKNS-INIZCTEOSA-N 320.408 2.195 0 50 DEAA Cc1c(S(=O)(=O)N(C)[C@@H]2CCc3ccccc32)cnn1C 331711867 FXCHTRGEIZAXFA-CQSZACIVSA-N 305.403 2.037 0 50 DEAA CO[C@H]1C[C@@H](C(=O)NCc2oc3ccccc3c2C)N(C)C1 331769112 FCSPMGDZIHAQMZ-JSGCOSHPSA-N 302.374 2.077 0 50 DEAA COc1cc(OC)cc(C(=O)N2C[C@H](N)Cc3ccccc32)c1 261621186 AUPXTSGCNNONDS-CQSZACIVSA-N 312.369 2.234 0 50 DEAA CC(C)(C)c1ccncc1CNC(=O)N1CCC[C@@H](O)CC1 332365705 RJOOKZPRHWFBEH-CQSZACIVSA-N 305.422 2.436 0 50 DEAA O=C(O)CC[C@H](NC(=O)Nc1cccc2ccccc12)C(=O)O 71767390 RUFTXGQJJCXTRN-ZDUSSCGKSA-N 316.313 2.279 0 50 DEAA C[C@H](c1nnnn1C1CC1)N1CCC(c2nccs2)CC1 241121884 JENRLMDAZAXSSQ-SNVBAGLBSA-N 304.423 2.405 0 50 DEAA Cc1cccc(C)c1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C 284965545 LGHCPMHGEYMMSP-CABCVRRESA-N 315.417 2.320 0 50 DEAA CCOc1cccc2[nH]cc(CC(=O)N[C@H](CC)[C@H](C)O)c12 456258839 QGBUMUTVTJHPBE-WCQYABFASA-N 304.390 2.385 0 50 DEAA CCO[C@@H]1C[C@@H](NC(=O)Cc2occc2C)C12CCOCC2 613596128 YZHKZIXNZHKWBI-HUUCEWRRSA-N 307.390 2.221 0 50 DEAA O=C(N[C@H](C(=O)O)[C@@H]1CCCOC1)c1ccc2c(c1)CCC=C2 263533742 NPRORJKHNWPILI-CVEARBPZSA-N 315.369 2.256 0 50 DEAA O=C(Cc1cccnc1)NCc1ccccc1CN1CCCC1=O 222706369 HCRRCKMXVNYUJM-UHFFFAOYSA-N 323.396 2.063 0 50 DEAA CC[C@@H](NC(=O)CCN1Cc2ccccc2C1)C1CC(O)C1 223250088 WMUZVTODGXTAPA-OFLPRAFFSA-N 302.418 2.058 0 50 DEAA CC(C)c1cc(C(=O)NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cs1 20550142 YDOMIVDNRBAWCZ-RYUDHWBXSA-N 318.398 2.468 0 50 DEAA Cc1nc2ccccc2cc1C(=O)N1CCC[C@H](OCCO)C1 178650625 AXKYHJSQBJSEEA-HNNXBMFYSA-N 314.385 2.157 0 50 DEAA COc1ccccc1-c1cccc(C(=O)N2CCNC(=O)[C@H]2C)c1 220016814 KIXDBXXOWLFZML-CYBMUJFWSA-N 324.380 2.323 0 50 DEAA COCCN(C(=O)c1ccc2c(c1)nnn2C)[C@H]1CC[C@@H](C)C1 332212306 GQJKORSSSTYMET-OCCSQVGLSA-N 316.405 2.246 0 50 DEAA O=C1CCC2(CCN(C[C@H]3CC=CCC3)CC2)CN1CCO 91444797 HKHMELWDWYBLBV-INIZCTEOSA-N 306.450 2.040 0 50 DEAA O=C(c1cc(C(F)F)[nH]n1)N1CCC[C@H](Cn2ccnc2)C1 426436785 UOJCFZVTQHSUGZ-SNVBAGLBSA-N 309.320 2.096 0 50 DEAA C[C@@H]1CCCN(C(=O)Cc2cnn(-c3ccccc3)c2)[C@H]1CN 179221976 UZGPOASOFZWOLE-PBHICJAKSA-N 312.417 2.001 0 50 DEAA Cc1noc(C)c1CC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 237589659 HFFDQPNXGCMNOU-XBFCOCLRSA-N 306.362 2.078 0 50 DEAA COc1ccc(CCC(=O)N2C[C@H](C(C)C)[C@@H](N)C2)cc1OC 91441763 NHODJGFXIOSSEP-CABCVRRESA-N 320.433 2.078 0 50 DEAA Cn1nc(C(C)(C)C)cc1C(=O)N1C[C@H](CO)c2ccccc21 293928395 NYEGGTZWUMXKRY-GFCCVEGCSA-N 313.401 2.454 0 50 DEAA CCN1C[C@H](C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)CC1=O 91817551 MHXQSYQLMWCNEN-GFCCVEGCSA-N 317.364 2.134 0 50 DEAA CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCCCn1cccn1)CC2 299741547 GGLNWGMQTWAUHE-ZDUSSCGKSA-N 315.421 2.041 0 50 DEAA Cc1noc(CCCN2CC[C@H](n3cnc4c3CCCC4)C2)n1 299753881 ZQPKDDKSWGWRML-AWEZNQCLSA-N 315.421 2.333 0 50 DEAA CCc1nccn1CC1(CNC(=O)Cc2cccc(O)c2)CC1 252489497 JRZMWEPOHAESCB-UHFFFAOYSA-N 313.401 2.290 0 50 DEAA C[C@@H]1C[C@H]2C[C@@]3(C[C@H]1N2C(=O)OC(C)(C)C)C[C@]3(CN)C(=O)O 601014796 LAQHWANWZGTVGB-ZKFGIXCSSA-N 324.421 2.214 0 50 DEAA C[C@@H](Cn1ccnc1)NC1CCN(C(=O)C2CCCC2)CC1 534633615 VXCVVCRFHSTZNI-AWEZNQCLSA-N 304.438 2.042 0 50 DEAA CCS(=O)(=O)CCNC(=O)Nc1cccc2cc(C)oc12 299780733 CKTRFDJWERPAGR-UHFFFAOYSA-N 310.375 2.297 0 50 DEAA COCCC(=O)N[C@@H](C)c1cnn(-c2ccc(OC)cc2)c1 299768547 OEXLINMLCJWRKW-LBPRGKRZSA-N 303.362 2.095 0 50 DEAA O=C1c2ccccc2CCN1CCNc1nnc(C(F)F)o1 952847503 ONQACEIJFUSQAT-UHFFFAOYSA-N 308.288 2.118 0 50 DEAA COC(=O)C1CCC(CNC(=O)c2cnn(C(C)C)c2)CC1 952963664 CZBOOGVQCGOJDZ-UHFFFAOYSA-N 307.394 2.173 0 50 DEAA C[C@H]1CC[C@@H](CCC(=O)NCc2cccc(OCC(=O)O)c2)O1 268899077 BUXYNPYUGJYDKP-JSGCOSHPSA-N 321.373 2.114 0 50 DEAA C[C@H]1C[C@@H](C)CN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)ncn2)C1 408463312 BKMGIPZXVAQEFG-LXTVHRRPSA-N 304.438 2.166 0 50 DEAA NC(=O)NC(=O)CCN1CCC(c2ccc(Cl)cc2)CC1 185788946 HRXCPCKIDOVIEJ-UHFFFAOYSA-N 309.797 2.104 0 50 DEAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccncc2Cl)cn1 275304039 HIIMTXDWAYQLPP-UONOGXRCSA-N 320.780 2.211 0 50 DEAA CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccn(-c2ccncc2)n1 277371793 HPKJXWOMKMKPED-ZFWWWQNUSA-N 300.362 2.267 0 50 DEAA CC(=O)N1CCCN(Cc2ncc(C(F)(F)F)s2)CC1 279364496 HXMNXLORNKHXRM-UHFFFAOYSA-N 307.341 2.216 0 50 DEAA NCC[C@@H](NC(=O)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1)C(F)(F)F 582893799 WJDFIWGBQFUGFF-JZRPKSSGSA-N 317.355 2.120 0 50 DEAA CC[C@@H](C(=O)O)N1CCC(CCN2C[C@H](C)O[C@H](C)C2)CC1 191438520 DBKSMJFZRNGOEX-LZWOXQAQSA-N 312.454 2.061 0 50 DEAA CS[C@@H](C(=O)NC[C@@H](C)c1nncn1C)c1ccccc1 194262333 BQRFEJYNNSEJJZ-DGCLKSJQSA-N 304.419 2.139 0 50 DEAA C[C@H](O)CN1CCN(Cc2cncc(Cl)c2Cl)C[C@H]1C 1616034852 WABFHHSISRNDIN-MNOVXSKESA-N 318.248 2.275 0 50 DEAA Cc1cccc(NC(=O)CC(=O)N(C)C[C@@H]2CCCO2)c1C 1506422839 SASLGZUWNSQBHC-AWEZNQCLSA-N 304.390 2.269 0 50 DEAA Cc1ncsc1CCN(C)C(=O)c1nn(C)c(C)c1Cl 1506408465 FGLAVBXBODWVOM-UHFFFAOYSA-N 312.826 2.462 0 50 DEAA O=C1CC[C@@H](NCc2ccc3nonc3c2)CCN1CC1CC1 1506397476 VHGRUCQVILXVRW-CQSZACIVSA-N 314.389 2.104 0 50 DEAA O=C(O)c1ccc(NCC2(N3CCCCC3)CCCC2)nn1 1506396379 SGRZKYKAISFVQA-UHFFFAOYSA-N 304.394 2.385 0 50 DEAA COCCCn1cnnc1CNc1nc2cc(C)ccc2o1 1506425544 BMSGKIAZQBFIBX-UHFFFAOYSA-N 301.350 2.376 0 50 DEAA Cc1cc(C(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)n[nH]1 12447359 DSCRQLYWLMBUJC-OAHLLOKOSA-N 304.438 2.493 0 50 DEAA COC(=O)Cc1c(C)nc(SCc2ccccc2)[nH]c1=O 13464838 OHRZLFWPDCEKNU-UHFFFAOYSA-N 304.371 2.086 0 50 DEAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NCc1cccnc1-n1ccnc1 15072231 ZVPNZCWTBTVNLR-YCPHGPKFSA-N 308.385 2.486 0 50 DEAA C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 158215535 WKMWBMNGAUYPKW-SWLSCSKDSA-N 317.368 2.352 0 50 DEAA COc1ccccc1S(=O)(=O)N1CCCO[C@H](C(C)C)C1 332227657 MUHHWERNKQJAMI-AWEZNQCLSA-N 313.419 2.131 0 50 DEAA CN(C)c1nc2c(c(-c3cnc4c(c3)CCN4C)n1)CCCC2 1875244056 KLSWRKZUALQLIX-UHFFFAOYSA-N 309.417 2.476 0 50 DEAA CCO[C@H](C)c1nc(CC(=O)N2CC[C@@H](N)C[C@H]2C)cs1 408519966 WWUWCHVYETYWDF-IJLUTSLNSA-N 311.451 2.121 0 50 DEAA Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCC[C@H]2N)CC1 237728230 YCTUKHVQUHMCIV-QZTJIDSGSA-N 315.461 2.203 0 50 DEAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCc1ccc(F)cc1 239229130 USXPMSXORIYBAA-DDHJSBNISA-N 303.333 2.355 0 50 DEAA COc1ncc(C(=O)N2CC[C@H](c3nc(C)no3)C2)cc1Cl 347406162 GCEWFZSSAZIMPL-VIFPVBQESA-N 322.752 2.065 0 50 DEAA CN(C)c1ccc(NC(=O)c2cnn(CC(F)(F)F)c2)nc1 252540389 PIKHGAVKYCXFLU-UHFFFAOYSA-N 313.283 2.159 0 50 DEAA Cc1ccc(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)c(C)n1 364419932 YPBMKDUSFOXDMQ-LJQANCHMSA-N 321.380 2.434 0 50 DEAA CC(C)(O)[C@H](O)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 585121689 WGCFLDPZVZAXIJ-HZPDHXFCSA-N 317.360 2.163 0 50 DEAA COCc1ccc([C@H]2CCCN2C(=O)c2cc(C)nn2C)o1 161644023 IIVHYPSLAMKTEZ-CYBMUJFWSA-N 303.362 2.445 0 50 DEAA CCC[C@H](C)NC(=O)Cc1c(C)nc2c(c(O)nn2C)c1C 591419799 HQQKIDVXGFGUSP-VIFPVBQESA-N 304.394 2.138 0 50 DEAA O=C(O)CC[C@@H]1C[C@H](C(=O)Nc2ncsc2C2CC2)CO1 902676922 XUHOUXYZKNTNDU-VHSXEESVSA-N 310.375 2.229 0 50 DEAA c1oc(C2CC2)nc1Cn1cc(CO[C@H]2CCCCO2)nn1 905801411 CWPWRMODFXMYAW-AWEZNQCLSA-N 304.350 2.235 0 50 DEAA Cc1cc(C)nc(C(=O)N2CCN(c3ccnc(F)c3)CC2)c1 833889217 QSPOWIUKBAIVCR-UHFFFAOYSA-N 314.364 2.195 0 50 DEAA CC(C)(C)[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccno2)cc1 1875289298 GEHJHODCEPJSIL-CQSZACIVSA-N 324.402 2.027 0 50 DEAA Cn1nc(C2CCC2)cc1C(=O)N[C@H]1[C@H]2CC[C@@H]1C[C@H](CO)C2 1875321637 PJVDQOBPXIKFNU-MHSKMTPMSA-N 317.433 2.215 0 50 DEAA C[C@@H](NC1CCCC1)[C@H](O)C(=O)N[C@H]1CCc2ccccc21 1875316561 ZKZJHZUEPFNFDY-DQYPLSBCSA-N 302.418 2.072 0 50 DEAA CC[C@H](N[C@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1ccc(C)cc1 878422929 OIUPVYUFTTVTCS-PMPSAXMXSA-N 317.433 2.346 0 50 DEAA Cc1ccc(CN(CCO)C(=O)Cc2cccc(F)c2O)cc1 1775998327 WVPCUWJPWSSXTR-UHFFFAOYSA-N 317.360 2.403 0 50 DEAA CC1(C)CO[C@H](CC(=O)O)CN1Cc1nc(C2CC2)cs1 2325788278 WKGNBYOCVJCXIB-LLVKDONJSA-N 310.419 2.475 0 50 DEAA CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 31659 XNVWPKBLJNUDNK-CQSZACIVSA-N 304.390 2.168 0 50 DEAA COc1cccc(-n2c(CN3CCSCC3)n[nH]c2=S)c1 439450 XYQTURUZLMTLRO-UHFFFAOYSA-N 322.459 2.487 0 50 DEAA Cc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)c(C)c1 469298 NAIJZBUCVUNAEV-UHFFFAOYSA-N 318.398 2.220 0 50 DEAA C[C@@H](C1CC1)N(C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 2312351 KGMOTAURJOZVTL-GXTWGEPZSA-N 322.430 2.188 0 50 DEAA CCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1 2876343 IQTSSANNGVOJEK-UHFFFAOYSA-N 324.446 2.146 0 50 DEAA COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1 4843210 ABDMFXLOBODIER-UHFFFAOYSA-N 310.309 2.173 0 50 DEAA CCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cn1 6727072 IBIIIYXAUFYGHW-UHFFFAOYSA-N 315.782 2.366 0 50 DEAA CC(C)CN1CCN(Cc2ccc(F)c(F)c2)C[C@H]1CCO 104331883 LHQIKDJTGWBAJB-OAHLLOKOSA-N 312.404 2.489 0 50 DEAA CCC[C@@H](CC(=O)O)NC(=O)CC(=O)Nc1ccc(C)cc1 55073098 HOLXAIXRSZAKEG-ZDUSSCGKSA-N 306.362 2.083 0 50 DEAA COc1ccc(OC)c2[nH]c(C(=O)NCCn3cccc3)cc12 409414340 PJVIXKLLIQWEQK-UHFFFAOYSA-N 313.357 2.417 0 50 DEAA CCCn1ncc(C(=O)N(Cc2nccn2C)C2CC2)c1C 65394169 BWFLMXUVIKKVJN-UHFFFAOYSA-N 301.394 2.140 0 50 DEAA O=C(c1cccc(-n2cccn2)c1)N1CC[C@]2(CCCNC2)C1 67696358 DZEIXIKYNSYUPE-SFHVURJKSA-N 310.401 2.088 0 50 DEAA CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1(C)C 229369246 MJLLRDXWVCFBHU-BRWVUGGUSA-N 321.509 2.225 0 50 DEAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)CN1CCOC1=O 252477973 YUWUGOYWWSVSGH-SNPRPXQTSA-N 302.374 2.055 0 50 DEAA CCN(CCCCO)C(=O)c1cccc([C@@H]2CCCNC2)c1 215053363 FGQUPJQTCISFIN-QGZVFWFLSA-N 304.434 2.388 0 50 DEAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)[C@H](c1ccccc1)n1cccn1 230100088 DMDXXYBSSGSKQN-SQNIBIBYSA-N 324.428 2.216 0 50 DEAA COc1cccc(NC(=O)N2CCC[C@](O)(CN(C)C)CC2)c1 72161307 VQLHDCXYZQJIEK-QGZVFWFLSA-N 321.421 2.006 0 50 DEAA 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DEAA Cc1ccc2c(C(=O)N[C@@H]3CCN(C(C)(C)C)C3)cnn2c1 1772708949 DEKCFDVXQFLLPF-CYBMUJFWSA-N 300.406 2.245 0 50 DEAA COc1cc(N2CCC3(C=C(C)CCO3)CC2)nc(OC)n1 1772700240 AZEKVEMASWYYJT-UHFFFAOYSA-N 305.378 2.199 0 50 DEAA Cc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)on1 12200772 ROVAJCSDESCKLI-ZDUSSCGKSA-N 319.405 2.123 0 50 DEAA CCN1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1 16602527 JSGJGJFCRVYFJZ-NSHDSACASA-N 314.788 2.411 0 50 DEAA CNC[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 123871679 OXEWXCNLKYHIHX-SNVBAGLBSA-N 320.817 2.099 0 50 DEAA O=C(Cc1noc2ccccc12)NCc1nc2ncccc2o1 1857700954 DRXSGZZKVNHUTG-UHFFFAOYSA-N 308.297 2.223 0 50 DEAA OCc1cn([C@H]2CCCN(CCc3ccc(Cl)cc3)C2)nn1 451070933 PZJGYJDPMBKVSK-INIZCTEOSA-N 320.824 2.303 0 50 DEAA CC(=O)Nc1cccnc1NC(=O)Cc1cccc(F)c1F 135255486 QJBCDZZMHSLRRG-UHFFFAOYSA-N 305.284 2.499 0 50 DEAA Cc1nn(C)cc1[C@H](C)NC(=O)C(F)(F)C1(O)CCCCC1 252478707 ASVULQUVJSXYCD-JTQLQIEISA-N 315.364 2.236 0 50 DEAA Cc1cc(C)c(N2CC[C@H](N3CC[C@H](O)[C@H](C)C3)C2=O)c(C)c1 252536591 IXWPTWXNYSQZGC-IKGGRYGDSA-N 316.445 2.420 0 50 DEAA C[C@@]1(CNC(=O)c2nn(-c3ccccc3F)cc2O)CCCO1 153114007 BDHGNXWLUXHJPO-INIZCTEOSA-N 319.336 2.016 0 50 DEAA Cc1cc(CN2CCC[C@@H](c3nc[nH]n3)C2)ccc1-n1cncn1 378347518 VODHHQCIVHEJAF-OAHLLOKOSA-N 323.404 2.073 0 50 DEAA CCC[C@]1(C(=O)O)CCN(Cc2ccc(C)cc2OC)C[C@@H]1O 1704336798 PIOFPTYGWZIQER-WMZOPIPTSA-N 321.417 2.441 0 50 DEAA CC1(C)C(=O)NCCN1C(=O)c1nc2ccccc2cc1C1CC1 906057794 NVBMTTDQIIUSIC-UHFFFAOYSA-N 323.396 2.463 0 50 DEAA CC(=O)c1[nH]c2ccccc2c1C(=O)N[C@@H]1C[C@@H](O)C1(C)C 1875278285 NLBKPPWENVXDKM-CHWSQXEVSA-N 300.358 2.260 0 50 DEAA C=Cc1ccc(CCNC(=O)Cc2cccc(C(N)=O)c2)cc1 1875330966 JSOUVVMVAMKSFC-UHFFFAOYSA-N 308.381 2.330 0 50 DEAA CCC1(C(=O)NCc2ccc(-n3cc([C@H](C)O)nn3)cc2)CC1 1875323561 LYFUWCGECSKAMU-LBPRGKRZSA-N 314.389 2.127 0 50 DEAA Cc1cccc(CNc2ncnc3nc(N(C)C)sc23)n1 1875305684 YCTJZKJTHZGKJR-UHFFFAOYSA-N 300.391 2.468 0 50 DEAA Cc1cccc2cc(C(=O)N[C@@H]3CCN(C(=O)C4CC4)C3)cnc12 1875344357 DFYLJCKMQJQFRZ-MRXNPFEDSA-N 323.396 2.284 0 50 DEAA FC(F)(F)c1ccnc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)c1 1775960674 ZQLPFERWZPDUFK-KWQFWETISA-N 313.283 2.408 0 50 DEAA CCC(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O 1775993775 KFCABTODHXLVJR-JKSUJKDBSA-N 318.417 2.124 0 50 DEAA CCn1cc(-c2n[nH]cc2C(=O)N2C[C@H]3C[C@]3(C(F)F)C2)cn1 1776008238 XPMPQBLROBUTDF-BMIGLBTASA-N 321.331 2.020 0 50 DEAA Cn1ccc(-c2cnn([C@](C)(CCc3ccco3)C(=O)O)c2)n1 2325789196 CWHXVGIUXFAVOA-MRXNPFEDSA-N 314.345 2.309 0 50 DEAA O=C(O)CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21 2325813052 GRWKJHUFYOPMJN-AEGPPILISA-N 302.374 2.321 0 50 DEAA CC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O 399542 VCXXRMRBSJAWIA-QGZVFWFLSA-N 313.353 2.397 0 50 DEAA O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccco1 467306 IHKPASBGIOPSIR-LBPRGKRZSA-N 314.341 2.441 0 50 DEAA Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)n3nccc32)on1 1067816 VDQLEBLHPLOENV-VIFPVBQESA-N 300.240 2.333 0 50 DEAA CC(C)(C)NC(=O)COc1ccc(CNC[C@@H]2CCCO2)cc1 4488513 JBKJEGKNOTVWMW-INIZCTEOSA-N 320.433 2.249 0 50 DEAA COCCN1C(=O)c2ccc(C(=O)Nc3ccccc3)cc2C1=O 4869251 JNGNFIYKMQTPDK-UHFFFAOYSA-N 324.336 2.181 0 50 DEAA Cc1ccc(N(CCCC(=O)N2CCCC2)S(C)(=O)=O)cc1 4986323 BUVLKTWPKBSQPB-UHFFFAOYSA-N 324.446 2.164 0 50 DEAA COc1ccc(C2=NO[C@@H](C(=O)N3CCCCC3)C2)cc1OC 6738555 FOOQVERKCSFGOK-MRXNPFEDSA-N 318.373 2.209 0 50 DEAA CCCCN1C[C@@H](C(=O)Nc2nnc(C(C)(C)C)s2)CC1=O 8271180 ZBHRHYHBSLECGZ-JTQLQIEISA-N 324.450 2.423 0 50 DEAA Cc1ccn2c(=O)cc(CSc3nnc(C)s3)nc2c1 8673372 SJQLBIISRNGGTK-UHFFFAOYSA-N 304.400 2.455 0 50 DEAA Cc1ccccc1CNc1nc2[nH]c(C)c(Cl)c(=O)n2n1 101215520 KVCNBDSVVPWDPJ-UHFFFAOYSA-N 303.753 2.300 0 50 DEAA Cc1cccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C 9142014 MUMQRYFLPLDZMZ-UHFFFAOYSA-N 311.341 2.491 0 50 DEAA COc1ccc2[nH]c(C(=O)N[C@@H]3CCC[C@@]3(C)CO)cc2c1 225543233 WTDQPDCBPGDLOC-WBVHZDCISA-N 302.374 2.457 0 50 DEAA Cc1nnc(CNC(=O)c2ccc(NC(=O)C3CCC3)cc2)o1 55053970 ZOLSDHXCHWVKEF-UHFFFAOYSA-N 314.345 2.047 0 50 DEAA Cc1ccc(CN2CCN(Cc3cccnc3)C[C@H]2CCO)o1 104373632 ABRJVLKYKWLNTK-QGZVFWFLSA-N 315.417 2.052 0 50 DEAA CCn1ncnc1CN1CC[C@@H](c2sccc2C)[C@H](O)C1 65394493 NXJAIMAOUXPCTK-CHWSQXEVSA-N 306.435 2.018 0 50 DEAA O=c1[nH]c2cc3c(cc2cc1CN1CCC[C@H](CO)C1)CCC3 67975647 OFBHTJKYCWAEHZ-ZDUSSCGKSA-N 312.413 2.221 0 50 DEAA C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCc2c1cnn2CCO 252467546 RDYXXOHYLCXHQF-SNPRPXQTSA-N 320.437 2.131 0 50 DEAA CC(C)N(C)C(=O)NCC(=O)Nc1cccc2cccnc12 252537274 KVVBWRXOFCGQAY-UHFFFAOYSA-N 300.362 2.223 0 50 DEAA O=C1CCC(C(=O)NCC2(c3cccc(F)c3)CCCC2)=NN1 219441469 HJSYOPHSGLMJJA-UHFFFAOYSA-N 317.364 2.020 0 50 DEAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](N3CCCC3)C2)c1 229804204 WSSLODVWLBAHSB-BPQIPLTHSA-N 314.429 2.495 0 50 DEAA C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)N[C@H](C)C[C@H](O)c1ccco1 253370248 OFCDZPUMDSUEHF-MRLBHPIUSA-N 308.422 2.469 0 50 DEAA CCS[C@@H](C)C(=O)N1CCN(Cc2ccc(C)cc2)C(=O)C1 77385500 IIAWVPNQUCHXRW-AWEZNQCLSA-N 320.458 2.307 0 50 DEAA CN1CCN(C(=O)C2CCC(F)(F)CC2)C[C@H]1c1ncc[nH]1 328627754 NAXAZNIXWLVPLG-LBPRGKRZSA-N 312.364 2.050 0 50 DEAA O=C(N[C@H](CO)Cc1ccccc1)N[C@H]1COc2ccccc21 153219115 LVLNORAUYRRGAY-HOCLYGCPSA-N 312.369 2.023 0 50 DEAA O=C(CN1CCC2(CC1)OCCO2)Nc1cccc(Cl)c1 14193212 KTHVANRXJOGMAQ-UHFFFAOYSA-N 310.781 2.117 0 50 DEAA C[C@@]1(c2ccccc2)CCCN(C(=O)CCS(C)(=O)=O)C1 79099556 SRAMLJHNJFIRJY-MRXNPFEDSA-N 309.431 2.001 0 50 DEAA CC(=O)Nc1ccc(-c2nccn2CCN2CCCC2=O)cc1 71735876 PNSNBXQVWMESOU-UHFFFAOYSA-N 312.373 2.131 0 50 DEAA CNC(=O)c1ccc(Cl)c(NC(=O)Nc2ccn(C)n2)c1 156260455 OPPIKGZNVOZJHQ-UHFFFAOYSA-N 307.741 2.077 0 50 DEAA COc1cc(OC)c2ncnc(N3CC[C@H](CCCO)C3)c2c1 450959700 LJRJIDKISKLGST-LBPRGKRZSA-N 317.389 2.246 0 50 DEAA CCOc1ccc(CNC(=O)[C@H]2CCCN(C)C2)cc1OCC 71375498 XVWSBZQOIDUUEK-HNNXBMFYSA-N 320.433 2.442 0 50 DEAA C[C@@H]1C[C@H](C(=O)O)CN(c2cc(N3CCCCC3)ncn2)C1 263078314 BCGVHGZOKFRTHF-OLZOCXBDSA-N 304.394 2.014 0 50 DEAA CNc1ccnc(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)n1 82157162 LQJOKQYQULVWMN-QGZVFWFLSA-N 317.437 2.136 0 50 DEAA Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c(F)c1 337134692 CYYWCOQZQNXQKA-NUEKZKHPSA-N 307.365 2.136 0 50 DEAA COc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1OC 284731445 TWDYISLNPDETIK-ARFHVFGLSA-N 321.417 2.066 0 50 DEAA CCCN(C)c1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)NC)cc1 241630894 PMGKOIPPVLSHRU-CVEARBPZSA-N 317.433 2.177 0 50 DEAA O=C(CNC[C@H]1CCCO1)Nc1ccc(Br)cc1 17052282 ZGITYRGWNAXOBE-GFCCVEGCSA-N 313.195 2.156 0 50 DEAA Cc1cnn([C@H]2CCN([C@@H]3CCc4ccccc4NC3=O)C2)c1 289687648 BBXHCQKBRHEIKW-DOTOQJQBSA-N 310.401 2.392 0 50 DEAA CC(C)CN(CCC(=O)O)C(=O)c1ccc2c(c1)CCC(=O)N2 195237240 MHVHFCRJEZAZLJ-UHFFFAOYSA-N 318.373 2.144 0 50 DEAA COCc1noc(CNC(=O)c2ccc3c(c2)CCCC3)n1 222349999 XBZOTZSGHJZWTP-UHFFFAOYSA-N 301.346 2.025 0 50 DEAA C[C@@H](NC(=O)c1cc(Br)ccc1O)[C@@H]1CCOC1 227862153 JAKGMWIBWKKEKK-RKDXNWHRSA-N 314.179 2.310 0 50 DEAA CN(C)C(=O)CCCC(=O)Nc1ccc2nc(S)oc2c1 160741174 UQCNDPXHFFWQOI-UHFFFAOYSA-N 307.375 2.314 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)C1 178262006 RBYDIKBOLSNPAT-CYBMUJFWSA-N 312.325 2.421 0 50 DEAA COCC[C@@]1(C(=O)O)CCCN(C(=O)NC2CCCCC2)C1 91829492 YKERIRMNAIKQEA-INIZCTEOSA-N 312.410 2.232 0 50 DEAA CC(C)(C)n1cc(NC(=O)c2cccc(-n3ccnn3)c2)cn1 179377206 YWPTWZOWOOOCRD-UHFFFAOYSA-N 310.361 2.471 0 50 DEAA O=C(c1cnc(-c2cccnc2)nc1)N1CCC[C@]2(CCOC2)C1 91351264 UTSMWKOCIRMBOP-SFHVURJKSA-N 324.384 2.181 0 50 DEAA Cc1ccc2nc(COCc3nc([C@@H]4CCOC4)no3)[nH]c2c1 96148136 NZUKJIVTJVSGMH-LLVKDONJSA-N 314.345 2.475 0 50 DEAA Cc1c[nH]c(CNc2nccc(-c3ccccn3)n2)c(C)c1=O 96152025 HUBQTCJGRGKXGU-UHFFFAOYSA-N 307.357 2.456 0 50 DEAA O=C(NCCCc1ccccn1)[C@@H](c1cccnc1)N1CCCC1 95369747 SPPOIQDVLQIJIZ-GOSISDBHSA-N 324.428 2.363 0 50 DEAA O=C([C@@H]1COc2ccccc2C1)N1CCC(c2ncon2)CC1 91644001 ZVSRCRCAZGMZMM-AWEZNQCLSA-N 313.357 2.027 0 50 DEAA C[C@H](NC(=O)Nc1cccc2c1CCC2)c1nnc(N)s1 95528808 LIYNPDCVUROJAG-QMMMGPOBSA-N 303.391 2.492 0 50 DEAA O=C1CC[C@]2(CCOC2)CN1Cc1csc(N2CCCC2)n1 91602975 XYDNNSQJHWYTOP-INIZCTEOSA-N 321.446 2.272 0 50 DEAA C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)C1(C)CCNCC1 96139637 YWOGWLJFVCJXCG-CQSZACIVSA-N 303.450 2.190 0 50 DEAA CCN(Cc1ccc(C(=O)NC)o1)Cc1nc(C(C)C)no1 244594076 DGAGAUZZEUDAKQ-UHFFFAOYSA-N 306.366 2.168 0 50 DEAA Cc1ncsc1C(=O)N1CCC[C@H](CC(C)(C)C(N)=O)C1 622636244 YAYZGZHGWLAMAK-LLVKDONJSA-N 309.435 2.205 0 50 DEAA C[S@](=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 299746509 XVMSDNKOVXIZMQ-YTEVENLXSA-N 323.414 2.141 0 50 DEAA CC(C)Cn1ccnc1NC(=O)[C@@H]1CN(C)C[C@H]1C(F)(F)F 299745970 UJISWNOPCJFAAX-GHMZBOCLSA-N 318.343 2.218 0 50 DEAA Cc1cc(C(=O)N[C@@H]2CCNC2=O)sc1-c1ccccc1 534580354 ZSZFPMCZGYSGOW-GFCCVEGCSA-N 300.383 2.342 0 50 DEAA Cc1n[nH]c(C2CC2)c1C(=O)N[C@H](c1nccn1C)C(C)C 299758019 JYICPFGWAWUGKI-ZDUSSCGKSA-N 301.394 2.456 0 50 DEAA Cc1c(NC(=O)NC[C@@H]2COCCO2)cccc1N1CCCC1 299761868 ZNMZTVPXXZKIJL-CQSZACIVSA-N 319.405 2.132 0 50 DEAA COc1ccc(C)cc1NC(=O)NCCSc1nc(C)n[nH]1 299786563 VHIYIRAGZUMZKO-UHFFFAOYSA-N 321.406 2.344 0 50 DEAA CNC(=O)c1cccc(NC[C@@H]2CCCN3CCCC[C@H]23)n1 823836543 BHMLHBMBHPCKMY-DZGCQCFKSA-N 302.422 2.118 0 50 DEAA O=C1NCC2(CN(Cc3cccc4c3oc3ccccc34)C2)N1 828305117 DQPNOEXZNJZFTC-UHFFFAOYSA-N 307.353 2.453 0 50 DEAA CCCc1nnc(S)n1CC(=O)N1CC[C@H](C)C[C@@H](C)C1 163470680 RBYCRVRAAJPFOV-NWDGAFQWSA-N 310.467 2.414 0 50 DEAA CCOC[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccccc3)C2)C1 408519521 FCBSGUHGPNQMSU-CVEARBPZSA-N 302.418 2.398 0 50 DEAA CO[C@](C)(C(=O)Nc1ncc(CCO)s1)c1ccccc1F 408517294 FVVOWWKDKBAMED-HNNXBMFYSA-N 324.377 2.317 0 50 DEAA COc1ccc(O[C@H](C)CNC(=O)N[C@@H]2CCO[C@H](C)C2)cc1 271215897 FBAHASYVQFPOAK-MGPQQGTHSA-N 322.405 2.329 0 50 DEAA COc1ccc(O[C@H](C)CNC(=O)N[C@H]2CCO[C@H](C)C2)cc1 271215896 FBAHASYVQFPOAK-MCIONIFRSA-N 322.405 2.329 0 50 DEAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 275367120 OWNRXWVNZSUACK-ZFWWWQNUSA-N 310.357 2.161 0 50 DEAA Cc1ccc2c(c1)N([C@H]1CCN(c3cc(C)nn3C)C1=O)CC2 170058108 PKYCLFZHAXLFAQ-HNNXBMFYSA-N 310.401 2.205 0 50 DEAA C[C@H](OCC1CC1)C(=O)NC1CCC(O)(c2cccnc2)CC1 170083132 KDVFRWBHUUHVDV-BELGNNRLSA-N 318.417 2.143 0 50 DEAA CSc1ccsc1C(=O)NCc1cnc(N(C)C)nc1 170595735 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CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)OC)cc2)CC1=O 8270182 BIXRTKKCBFEMQM-ZDUSSCGKSA-N 318.373 2.060 0 50 DEAA CCCCN1C[C@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O 8271269 ODMJJVKFERHCRR-SNVBAGLBSA-N 310.423 2.249 0 50 DEAA Cc1c(C(=O)O)sc2ncnc(N[C@@H]3CN4CCC3CC4)c12 55403300 QFPFLYPAXUNOPB-SNVBAGLBSA-N 318.402 2.204 0 50 DEAA CNc1ncccc1CN1CCN(C(=O)c2ccccc2)CC1 55200089 XTIPDRGLUTWNOE-UHFFFAOYSA-N 310.401 2.081 0 50 DEAA CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100293290 ZFURNLHIJVEJAT-GVARAGBVSA-N 314.341 2.106 0 50 DEAA Cc1cccc(NC(=O)CN2CCN(c3ccccn3)CC2)c1C 20417798 UOXOPGWBRMYHGL-UHFFFAOYSA-N 324.428 2.459 0 50 DEAA O=C(Nc1cnc2n1CCCC2)c1ccc(Cn2ccnc2)o1 67695384 CGGWHFXNOHXTOC-UHFFFAOYSA-N 311.345 2.310 0 50 DEAA Cc1cccc(N2CCC(NCCSc3ncn[nH]3)CC2)c1 67805596 VUULYKXVNXPUHV-UHFFFAOYSA-N 317.462 2.464 0 50 DEAA O=C(O)c1nc2ccc(I)cn2c1Cl 4051300 RQDBDTJYUKQYFO-UHFFFAOYSA-N 322.489 2.291 0 50 DEAA CN(C)c1cnc(C(=O)Nc2cc(C3CCCC3)nn2C)cn1 329284973 GHRCPHINHPHKFB-UHFFFAOYSA-N 314.393 2.186 0 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CN(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C2CCC2)cn1 287054869 WTTLCLKIKQXEHR-AWEZNQCLSA-N 309.435 2.101 0 50 DEAA COCc1n[nH]c([C@H]2CCCCN2Cc2nc(C)cs2)n1 289673532 HFHHIZXKVMRKAD-LLVKDONJSA-N 307.423 2.443 0 50 DEAA Cn1cnnc1-c1cccc(NC(=O)C(F)(F)C(F)F)c1 175950672 HAVBOAPTUQAHJV-UHFFFAOYSA-N 302.231 2.321 0 50 DEAA CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 225644047 AHSBJGJCIWJIHG-TUVASFSCSA-N 301.342 2.403 0 50 DEAA CCn1nc(CO)c2c1CCN(C(=O)N[C@H](C)CCC(C)C)C2 426727574 YLRMNDKVVHHTCF-CYBMUJFWSA-N 322.453 2.288 0 50 DEAA CCCN(Cc1nccn1C)c1cc([C@H]2CCOC2)ncn1 426589953 JNXPVIYOGUEHAU-ZDUSSCGKSA-N 301.394 2.131 0 50 DEAA O=C(CO[C@H](c1ccccc1)C(F)(F)F)N1CCCNCC1 220156095 JLJIDCIPYZBDRT-CQSZACIVSA-N 316.323 2.129 0 50 DEAA O=C(CN1Cc2ccccc2C1)N1CCC[C@H](c2ncc[nH]2)C1 426653047 YBTPKNFVPAXRRI-INIZCTEOSA-N 310.401 2.132 0 50 DEAA O=C1Nc2ccccc2NC12CCN([C@H]1CCSC1)CC2 82099874 VTUIIKAEMPKTDC-LBPRGKRZSA-N 303.431 2.391 0 50 DEAA Cc1n[nH]c(C)c1[C@@H](Nc1nccc(-c2ccccn2)n1)C(=O)O 96140592 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COc1ccc(C(=O)CCCC(=O)N[C@@H]2CCN[C@@H](C)C2)cc1 262973414 XWRHGZKXMXISNB-DZGCQCFKSA-N 318.417 2.305 0 50 DEAA CCc1ccc(CN2CCC(CN3CCOCC3)CC2)nc1 216027679 XAZGAYGIHBOJPQ-UHFFFAOYSA-N 303.450 2.188 0 50 DEAA CN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 130395670 JMUWOMRCTAYMKO-JKSUJKDBSA-N 323.481 2.461 0 50 DEAA O=S(=O)(NCc1cncc(F)c1)[C@@H]1C[C@H]1c1ccccc1 1365737008 OBUUNFFHXPCULU-LSDHHAIUSA-N 306.362 2.196 0 50 DEAA COC(=O)N[C@@H](C)C(=O)N1CCC(Oc2ccc(C)cc2)CC1 82109007 JNRLPKFTLOYVJP-ZDUSSCGKSA-N 320.389 2.109 0 50 DEAA O=C(c1ccccc1N1CCCCC1)N1CC[C@](F)(CO)C1 338752619 PRJIRISRKKPAOC-QGZVFWFLSA-N 306.381 2.223 0 50 DEAA NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cccc2)cc1 177776682 NVYNJDOAGCEJTH-HOTGVXAUSA-N 311.385 2.251 0 50 DEAA O=C(c1noc2c1CCCC2)N1CCOC[C@H]1CC(F)F 286762912 PUDQXSZNNMHVNU-SECBINFHSA-N 300.305 2.050 0 50 DEAA CSCCC(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 223491348 JSQAPBVDMICQJP-KGLIPLIRSA-N 313.394 2.231 0 50 DEAA Cc1ccc(-c2cccc(C(=O)N3CCCC[C@H]3CN)c2)nn1 426389512 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O=C(CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)NCc1cccs1 299745116 WGPBCXGSVRCFEW-XBFCOCLRSA-N 322.430 2.082 0 50 DEAA CCN1C[C@H](NC(=O)c2csc3ccccc23)[C@@H](OC)C1 534587247 KZVXYGMWBZIMPX-KBPBESRZSA-N 304.415 2.350 0 50 DEAA COc1cc(OC)nc(NC[C@@H]2CCN(C3CCCC3)C2)n1 534646571 IOGOHGWBZUYBJT-LBPRGKRZSA-N 306.410 2.170 0 50 DEAA O=C(C[C@H]1CCOC1)N1CCCN(Cc2ccc(F)cc2)CC1 377780522 MKWADIWRCZCQKB-MRXNPFEDSA-N 320.408 2.287 0 50 DEAA O=C(C[C@H]1CCCOC1)NCc1noc(-c2ccccc2)n1 299784645 MOLHNEQZWAIDSX-GFCCVEGCSA-N 301.346 2.170 0 50 DEAA Cc1ncn(C)c1C(=O)NC[C@H]1CCCN(C2CCCC2)C1 299757525 IYTLUYRQDWNXQB-CQSZACIVSA-N 304.438 2.113 0 50 DEAA CC(C)Cc1cc(C(=O)N[C@@H](c2nccn2C)C2CC2)on1 299757638 IDTXTIAQABDFAO-CQSZACIVSA-N 302.378 2.488 0 50 DEAA Cc1ncsc1C(=O)Nc1cccc(NC(=O)CN(C)C)c1 823676166 NPSNDNDUSWZXPE-UHFFFAOYSA-N 318.402 2.204 0 50 DEAA O=C1OC[C@H]2CN(Cc3nc(-c4ccccc4)cs3)CCN12 494659191 NFBUFDHHIWCHCE-CYBMUJFWSA-N 315.398 2.447 0 50 DEAA CNc1nc(C(=O)NCCCn2ccnc2C(C)C)cs1 824100887 CJWULRRIDIQRDQ-UHFFFAOYSA-N 307.423 2.325 0 50 DEAA NC[C@H]1CCN(C(=O)NCc2cc(Cl)ccc2Cl)C1 670461298 UEFFKXVIRJMTRT-SECBINFHSA-N 302.205 2.484 0 50 DEAA Cc1nc(C)c(CC(=O)N[C@H](C)c2nncn2C(C)C)s1 670437329 YGVZAIZZJHQWLH-SNVBAGLBSA-N 307.423 2.352 0 50 DEAA COc1ccc2c(c1)N(C(=O)Cc1ncc(C)s1)CCO2 1412622127 QPQGIUHAMNAHBO-UHFFFAOYSA-N 304.371 2.428 0 50 DEAA C[C@H]1C[C@H](O)CN1C(=O)c1cccc(Br)c1F 384808756 APEGOUVKNAEARN-YUMQZZPRSA-N 302.143 2.184 0 50 DEAA O=S(=O)(NC1Cc2ccccc2C1)c1cccc(Cl)c1O 1423901557 VFVSGXDTGOKQLJ-UHFFFAOYSA-N 323.801 2.491 0 50 DEAA Cc1cc(CC(=O)N2CCN[C@@H](c3ccc(Cl)cc3)C2)on1 1434235099 CQLJGXYUOSVFLX-OAHLLOKOSA-N 319.792 2.352 0 50 DEAA CC1=C(C)C[C@H](C(=O)NS(=O)(=O)c2ccc(F)cn2)CC1 408504770 ZBFBBDLPJWELEW-LLVKDONJSA-N 312.366 2.162 0 50 DEAA NC(=O)c1ccc(C(=O)N2CCC[C@H](c3ccccn3)C2)cc1 408518378 DZBOXGOYFJQWBL-HNNXBMFYSA-N 309.369 2.200 0 50 DEAA CC1(C)C[C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)C(C)(C)O1 272167338 GDUDAJMCCIEYJU-JTQLQIEISA-N 319.327 2.364 0 50 DEAA CCCNC(=O)C1CCN(c2nc(C)nc3c2CCCC3)CC1 272948513 YGQRRNNOKIXKTI-UHFFFAOYSA-N 316.449 2.406 0 50 DEAA CCn1ccnc1[C@H]1OCC[C@@H]1Nc1nn2cc(C)nc2s1 275678836 WCZHUDPLMPUNHD-QWRGUYRKSA-N 318.406 2.258 0 50 DEAA c1ccc(CN2CCN(CCO[C@@H]3CCCCO3)CC2)cc1 170594540 WUVQSCIHEKPTDV-GOSISDBHSA-N 304.434 2.347 0 50 DEAA Cc1[nH]nc2ncc(C(=O)N(C)CCOc3ccccc3)cc12 170621664 VRENOXSZGLJIRC-UHFFFAOYSA-N 310.357 2.417 0 50 DEAA C[C@H](CNC(=O)c1ccc2ncccc2c1)N1CCCCC1=O 170606198 YCNPEHFBQYSKIS-CYBMUJFWSA-N 311.385 2.366 0 50 DEAA Cc1nccc([C@@H]2CCCN(c3c(C)c(C)nc4ncnn34)C2)n1 674262799 FFIDOOBSWRLDSE-CQSZACIVSA-N 323.404 2.224 0 50 DEAA CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCCc2cn[nH]c2)C1 584907052 BKMRZPUUSRPRMH-ZBFHGGJFSA-N 306.454 2.359 0 50 DEAA Cc1cnn(C)c1NC(=O)Nc1cccc(CCC(=O)O)c1 656605622 XCLLUOZSSBHVHP-UHFFFAOYSA-N 302.334 2.390 0 50 DEAA COC[C@H](C)n1cc(C(=O)NCCc2ccc(C)cn2)c(C)n1 1615002891 XDKRZWSYTHUWRN-ZDUSSCGKSA-N 316.405 2.075 0 50 DEAA CC(=O)c1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1 611210 SYVZLYNAACETDM-UHFFFAOYSA-N 304.346 2.260 0 50 DEAA Cc1ncnc(C)c1C(=O)N1CCCN(C2CCCC2)CC1 1506398474 DLGSKSVHOMHAFF-UHFFFAOYSA-N 302.422 2.184 0 50 DEAA COc1nc(NC2CCN(Cc3cccnc3)CC2)ncc1F 1704312824 BNOWXBGUWJKLET-UHFFFAOYSA-N 317.368 2.096 0 50 DEAA Cc1n[nH]c(C)c1CN1CCC(c2ccn(C)c(=O)c2)CC1 1772819958 YMFLDCPNAJPISY-UHFFFAOYSA-N 300.406 2.105 0 50 DEAA CSCCN1CCC(NC(=O)c2ccc(F)c(O)c2)CC1 1772710961 UXHIDAUJNKEGCF-UHFFFAOYSA-N 312.410 2.089 0 50 DEAA COc1cc(OC)nc(N2CCC3(C=C(C)CCO3)CC2)n1 1772703189 JXQKSTTUGRKGGK-UHFFFAOYSA-N 305.378 2.199 0 50 DEAA O=C(NC1CCC1)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 12438945 POVSAESKCRIPKI-CYBMUJFWSA-N 304.365 2.233 0 50 DEAA CC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)s1 13944317 NTWNHBKAKCXSNW-LLVKDONJSA-N 316.386 2.325 0 50 DEAA CC(C)c1cc(CN2CCC(O)(c3ccccn3)CC2)n[nH]1 19148549 HTBPHXFKZOROSK-UHFFFAOYSA-N 300.406 2.412 0 50 DEAA O=C(c1ccc2[nH]nnc2c1)N1CCO[C@@H](c2ccccc2)C1 19791221 AHRWREYRVKOTHQ-MRXNPFEDSA-N 308.341 2.172 0 50 DEAA CC[C@H](c1ccnn1C)n1ccnc1-c1cnn2cccnc12 1857686350 RXROVIRBNVPBAM-CYBMUJFWSA-N 307.361 2.326 0 50 DEAA CCc1ccc(-c2csc3ncn(CC(N)=O)c(=O)c23)cc1 131709 JGRCIIDXPKTMKD-UHFFFAOYSA-N 313.382 2.173 0 50 DEAA COC[C@H]1CN(c2cc(C)nc(-c3cccs3)n2)CCO1 408521234 MUATZCCHZSDNJM-GFCCVEGCSA-N 305.403 2.365 0 50 DEAA CCOC(=O)[C@H]1CCCN(C[C@H](O)COc2ccccc2C)C1 4248008 IKTWWBOPIQJMLJ-HOTGVXAUSA-N 321.417 2.010 0 50 DEAA O=C(CCc1nc[nH]n1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 429088521 SPHALDLILPDWJO-LDYMZIIASA-N 308.744 2.202 0 50 DEAA COc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)nn1 329117102 IWJVYUHEDDLZHJ-CYBMUJFWSA-N 316.336 2.993 0 50 DEAA C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(=O)n(C)n1 332519313 LKXKMBREZPSWJE-WDEREUQCSA-N 315.348 2.067 0 50 DEAA O=C(O)[C@@H]1CCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 238069623 SIWNVNZDRMRWDF-ZDUSSCGKSA-N 318.304 2.099 0 50 DEAA COc1ccc(CNC(=O)NC[C@H]2CCCS2)cc1OC 134082881 WSWIQODGJWHTPM-GFCCVEGCSA-N 310.419 2.399 0 50 DEAA O=C(O)C1(C(=O)N2CCC(Cc3cccc(F)c3)CC2)CC1 154806503 KJEHHXPKUVEWNP-UHFFFAOYSA-N 305.349 2.472 0 50 DEAA C[C@@H](C[S@](C)=O)N(C)C(=O)Nc1cnc(C(C)(C)C)nc1 158644864 VYUOKUTXMLNUOH-CHNSCGDPSA-N 312.439 2.005 0 50 DEAA COC[C@H](N)C(=O)N(C1CC1)C1CC(c2ccccc2C)C1 262499520 INYYOXWSMYKIDS-PGEKIEPBSA-N 302.418 2.206 0 50 DEAA O=C(NCCN1C(=O)Cc2ccccc21)c1occ2c1CCC2 585081710 KYUTXWFHQSMKBJ-UHFFFAOYSA-N 310.353 2.087 0 50 DEAA CC(C)(CCCO)CNS(=O)(=O)c1ccc(C(F)F)o1 585115151 OKGGVKTZFSDWAT-UHFFFAOYSA-N 311.350 2.294 0 50 DEAA Cc1ccc(CNC(=O)c2cc3n(n2)CCCC3=O)cc1F 905535966 GCVNVOOOQZIXEN-UHFFFAOYSA-N 301.321 2.237 0 50 DEAA COc1ncc(C(=O)N2C[C@H](C)Oc3cc(F)c(F)cc32)cn1 906239050 UGXDOUQTHWZQCK-QMMMGPOBSA-N 321.283 2.191 0 50 DEAA N=c1[nH]cncc1C(=O)OC[C@@H]1CCC[C@@H](C(F)(F)F)C1 1875267188 TZNMMAKPEPZIPW-RKDXNWHRSA-N 303.284 2.415 0 50 DEAA CO[C@H](C)CN1CCC(=O)N(Cc2cc3ccccc3[nH]2)C1=O 1875293467 RGOWKDNKROWUEE-GFCCVEGCSA-N 315.373 2.357 0 50 DEAA CN(C)C/C=C/C(=O)N(C)CCN(C)c1cccc(Cl)c1 1875379069 MNHOFNWISIMYCB-RMKNXTFCSA-N 309.841 2.352 0 50 DEAA CC1(C)CN(C(=O)[C@@H]2CCCO[C@H]2c2cc[nH]n2)CCS1 886048114 UGLMQYIPSSTLFH-DGCLKSJQSA-N 309.435 2.231 0 50 DEAA C[C@@]1(C2CC2)COCCN1C(=O)c1ccc(-c2cn[nH]c2)cn1 890588658 FJEPCVADQADNLX-KRWDZBQOSA-N 312.373 2.113 0 50 DEAA O=C(NCC1(F)CCOCC1)N1C[C@@H]2CC[C@]2(C(F)(F)F)C1 1776007428 BWNATPVJUPOBGJ-GWCFXTLKSA-N 324.318 2.489 0 50 DEAA CCC(O)(CC)CN(C)C(=O)c1ccc2c(O)nc(C)nc2c1 899148860 WICNEKNFKOWIFU-UHFFFAOYSA-N 317.389 2.267 0 50 DEAA Brc1ccc2c(c1)[C@@H](NCCn1cncn1)CCO2 381649413 AQLRYOQDXQOMCQ-LBPRGKRZSA-N 323.194 2.154 0 50 DEAA O=C1Nc2ccc(Br)cc2[C@]1(O)Cc1ccccn1 81527 APILDSXOVHTVRI-CQSZACIVSA-N 319.158 2.227 0 50 DEAA COc1ccc(C(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)cc1 352120 PHHUCEOHRVEGIE-GFCCVEGCSA-N 302.252 2.168 0 50 DEAA C[C@@H](C(=O)N1CCCCCC1)N(c1ccccc1)S(C)(=O)=O 355717 FKHVHCPPLRDLQB-AWEZNQCLSA-N 324.446 2.244 0 50 DEAA CCCN1C(=O)[C@](O)([C@H]2CC(=O)CC(C)(C)O2)c2ccccc21 616278 WNOOZNWADQQYDA-CRAIPNDOSA-N 317.385 2.158 0 50 DEAA c1ccc(-c2cncc(N3CCN(c4cnccn4)CC3)n2)cc1 346083274 QZLCFMCSZDDFLM-UHFFFAOYSA-N 318.384 2.260 0 50 DEAA Cc1ccc(CNC(=O)CS(=O)(=O)c2ccccc2)cc1 4814378 KALSLLVMWCACLA-UHFFFAOYSA-N 303.383 2.085 0 50 DEAA Cc1c(C(=O)Nc2nccs2)nnn1-c1ccccc1F 4938541 FXVQOSYWEMEOOZ-UHFFFAOYSA-N 303.322 2.424 0 50 DEAA COC[C@H](C)N1C[C@@H](C(=O)Nc2cc(C)ccc2C)CC1=O 4998770 AZPABJAEUJQRPH-KBPBESRZSA-N 304.390 2.125 0 50 DEAA O=C(NCc1ccccc1CO)C(=O)c1ccc(Cl)s1 225443772 PTMZUOIQHVYSBV-UHFFFAOYSA-N 309.774 2.393 0 50 DEAA Cc1cccc(C)c1OCCNC(=O)N1CCN2CCC[C@H]2C1 171902468 AROOCJKOOLSLPE-INIZCTEOSA-N 317.433 2.172 0 50 DEAA CCN(Cc1nc(COC)no1)C(=O)c1onc2ccccc12 55393192 WOBPEPKAGNTENL-UHFFFAOYSA-N 316.317 2.020 0 50 DEAA C[C@H](CNC(=O)c1cc(=O)c2ccccc2[nH]1)Oc1cccnc1 67886550 NNNJQSJGCPNGHS-GFCCVEGCSA-N 323.352 2.120 0 50 DEAA O=C(O)[C@@H]1CC(=O)N(c2ccc(CCc3ccccn3)cc2)C1 65381009 URCDFJUNCRZYKL-CQSZACIVSA-N 310.353 2.304 0 50 DEAA COc1cc(Cl)cc(C(=O)N2CCC3(CC2)CNC(=O)C3)c1 65406079 SAIWZJIRJHIXMH-UHFFFAOYSA-N 322.792 2.091 0 50 DEAA C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@H](C(=O)O)C1 136167836 FGGXAJBRSYYHME-KGLIPLIRSA-N 305.374 2.415 0 50 DEAA CN1CCC2(CCCN(C(=O)C(=O)c3ccco3)CC2)CC1 67654991 NGKVJXDAXUBSJQ-UHFFFAOYSA-N 304.390 2.187 0 50 DEAA CCc1ncc2c(n1)CN(C(=O)c1ccc3[nH]c(C)nc3c1)C2 67804656 VEVVGBHOGPDHDC-UHFFFAOYSA-N 307.357 2.380 0 50 DEAA CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC 1544798 FFNWMBDISAYHDC-UHFFFAOYSA-N 300.786 2.429 0 50 DEAA biogenic,in-vivo C[C@@H]1CC[C@H](NC(=O)NC[C@@H](CO)Cc2ccccn2)[C@H](C)C1 252512426 QKONPVYATXHSLH-AIANPOQGSA-N 319.449 2.357 0 50 DEAA COCC[C@H](C)N[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 328605066 MEHGOBWVVFROLL-MELADBBJSA-N 310.442 2.004 0 50 DEAA CC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 230113969 LJTBCKBVIMEDIW-HZPDHXFCSA-N 323.414 2.221 0 50 DEAA Cc1nn(CN2CCO[C@@H]3CCCC[C@H]32)c(=O)c2ccccc12 230210629 GHUYEEMWEKXEHY-IAGOWNOFSA-N 313.401 2.306 0 50 DEAA CC(C)(C)c1cc2ncn(C[C@@H]3CCC(=O)N3)c(=O)c2s1 32597888 HCGHZYJMXGNYOF-VIFPVBQESA-N 305.403 2.034 0 50 DEAA O=C(CC1(C(=O)O)Cc2ccccc2C1)NC[C@H]1CCSC1 280638348 MLGHHPUDKCMQPO-GFCCVEGCSA-N 319.426 2.116 0 50 DEAA Cc1nnc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)n1C1CC1 253394437 FQOSZWXZEIWTAR-HZPDHXFCSA-N 316.380 2.368 0 50 DEAA O=C([C@@H]1C[C@@]12CCOC2)N(Cc1ccncc1)C[C@@H]1CCCO1 329676122 UQTYHZXQSURKID-XYJFISCASA-N 316.401 2.016 0 50 DEAA O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1ccc2nc(S)oc2c1 151528533 CKNGGNOZEJCWIS-KJWJVKQFSA-N 318.398 2.253 0 50 DEAA Cc1cccc([C@H](CNC(=O)c2cn(C)nc2C)N(C)C)c1 71576240 YNBRJAQHUXXPAA-INIZCTEOSA-N 300.406 2.070 0 50 DEAA COc1cc(CN2CC[C@@H](c3nccn3C)C2)cc2c1OCO2 368133695 JZAICQBEGRGOEQ-CYBMUJFWSA-N 315.373 2.147 0 50 DEAA Cc1ccc(-n2cnnc2)c(C(=O)N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)c1 333043070 FIGICEPDWFGNJE-NXNVCVFFSA-N 320.396 2.470 0 50 DEAA CCO[C@@H]1C[C@H](N(C)C(=O)C2CCC(C(N)=O)CC2)C12CCC2 127665029 LDLKMISKUZGNJC-PFSRBDOWSA-N 322.449 2.084 0 50 DEAA O=C(CCc1n[nH]c2c1CCCC2)N1CCC2(CCCO2)CC1 71750369 FKQAQBNCVGEZLM-UHFFFAOYSA-N 317.433 2.393 0 50 DEAA Cc1nc(CNC(=O)N2CC[C@H](Cc3ccccc3)C2)no1 173568929 GHPFINLNDKZNBR-CQSZACIVSA-N 300.362 2.152 0 50 DEAA Cc1cn2c(n1)[C@@H](CNc1ncncc1Br)CCC2 378236098 RTIWVMAAIDAXNI-SNVBAGLBSA-N 322.210 2.734 0 50 DEAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2ccc(C)nc2)c1 282303172 BKEFNLZIZKODOP-NVXWUHKLSA-N 312.369 2.347 0 50 DEAA CCc1cc(C)c(C(=O)NC[C@H](C(=O)O)C2CCOCC2)o1 455879466 RXBSFRYRZQPLBR-ZDUSSCGKSA-N 309.362 2.008 0 50 DEAA CCCc1cc(C(N)=O)c(NC(=O)C[C@@H](C)CC(=O)O)s1 17032495 LSMHQHAZNHMPNM-MRVPVSSYSA-N 312.391 2.239 0 50 DEAA Cc1c[nH]cc1C(=O)N[C@H](C)c1ccc(OCC(=O)O)cc1 263205084 ZAIQVSJTUDXCNE-LLVKDONJSA-N 302.330 2.278 0 50 DEAA CC(C)n1cc([C@@]2(O)CCN(C/C=C/c3ccccc3)C2)nn1 285671651 ZFLMGYQXIRBCME-AHKGRUIUSA-N 312.417 2.466 0 50 DEAA CC[C@H](NC(=O)N1CCC[C@H](n2cncn2)C1)c1ccncc1 175330097 DOUIJSNQZANOJH-GJZGRUSLSA-N 314.393 2.171 0 50 DEAA Cc1cnc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)cn1 82096328 VLSXQGSLTCGZTK-OAHLLOKOSA-N 312.373 2.001 0 50 DEAA Cn1cnnc1CCC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 426379922 RPNURPBVBZLSPW-OAHLLOKOSA-N 312.417 2.400 0 50 DEAA NCCc1nnc(SC[C@H]2CCOC2)n1-c1ccc(F)cc1 426474098 FEACTRDFISBFOR-NSHDSACASA-N 322.409 2.036 0 50 DEAA Cc1noc(C)c1-c1ccc([C@@H](O)CN2CCOCC2)cc1 20905926 XFQMSCCWOAQHFP-INIZCTEOSA-N 302.374 2.324 0 50 DEAA O=C(CCCc1nc(-c2cccnc2)no1)NCc1ccoc1 426411521 QGAYEWOBLIUQRY-UHFFFAOYSA-N 312.329 2.364 0 50 DEAA COc1cc(N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)ncn1 91793722 PJHQJDINJUCFSX-HUUCEWRRSA-N 302.422 2.186 0 50 DEAA COCCC(=O)N1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 91526172 NEKDGBKPURLBQR-SFHVURJKSA-N 324.465 2.300 0 50 DEAA CC1(C)CN(C(=O)CCc2n[nH]c3c2CCCC3)CC[C@]1(C)O 91364839 CGIFZFAGVGPWEL-SFHVURJKSA-N 319.449 2.231 0 50 DEAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc2cn[nH]c12 237980910 VWTWBZLTAOOWLY-BPNCWPANSA-N 313.357 2.421 0 50 DEAA COc1ccc(/C=C/C(=O)N2CC[C@@](C)(C(=O)O)C2)cc1F 237306107 ZRTHTJFTSWPZGO-MQDFFIGUSA-N 307.321 2.171 0 50 DEAA O[C@@H]1CCCOC12CCN(c1ncc(Cl)cc1F)CC2 95359769 JIWZRNVTALTOLM-GFCCVEGCSA-N 300.761 2.384 0 50 DEAA CCC[C@H]1C=CCN1C(=O)Nc1ccccc1S(=O)(=O)NC 97717142 PWTJVZLOSUWUJC-LBPRGKRZSA-N 323.418 2.167 0 50 DEAA Cc1cnn(CCCN2CCC([C@@H](O)c3ccccn3)CC2)c1 244817204 SWADIKHCTYVHGJ-GOSISDBHSA-N 314.433 2.422 0 50 DEAA CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCCn1cccn1 253408525 KUPGUSGRPUNXBB-IAGOWNOFSA-N 318.465 2.386 0 50 DEAA biogenic Cc1n[nH]c(C)c1CC(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 252553142 VGJYFDLTWHBSQI-OZVIIMIRSA-N 319.430 2.259 0 50 DEAA CCCN1CC[C@@H](CNC(=O)c2cccc3c2CCC3=O)C1 534582458 JNUBSRIPCQUNDP-ZDUSSCGKSA-N 300.402 2.277 0 50 DEAA O=C(CSC12CC3CC(CC(C3)C1)C2)NCCn1cncn1 534656647 YZGGUYBWDFLBOW-UHFFFAOYSA-N 320.462 2.096 0 50 DEAA CC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 270390159 XWHMUMIKBFSAHD-MRXNPFEDSA-N 312.373 2.212 0 50 DEAA O=C(O)CC[C@H]1CN(Cc2cccnc2)CC[C@H]1N1CCCC1 299785210 JRBDYQZTOFVTKO-DLBZAZTESA-N 317.433 2.233 0 50 DEAA Cc1nc(-c2cccc(C(=O)N[C@H](C)c3cnn(C)c3)c2)n(C)n1 584897491 UULZNFKZAVZUMF-LLVKDONJSA-N 324.388 2.015 0 50 DEAA Cc1cc(C)n(-c2cccc(CN(C)CCn3cnnc3)c2)n1 670456218 UYWZYLBKAPCRCM-UHFFFAOYSA-N 310.405 2.213 0 50 DEAA CON(C)C(=O)c1cc(Br)c(Br)o1 44069107 NHVQYVKJJONFAB-UHFFFAOYSA-N 312.945 2.438 0 50 DEAA in-vitro CCOC(=O)c1nc(NC(=O)c2ccc3c(c2)OCO3)oc1C 1361417616 JOWVSQXZEGSBLP-UHFFFAOYSA-N 318.285 2.141 0 50 DEAA COc1cc(C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)ccn1 952979459 NXVDFTGLQUOVFR-UHFFFAOYSA-N 309.329 2.436 0 50 DEAA CCn1ncnc1CN[C@H]1CCCN(Cc2cccs2)C1 952973802 HUQGCAYSHJAMMX-ZDUSSCGKSA-N 305.451 2.114 0 50 DEAA C[C@@H]1CCCCN(C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)C1 408331073 LBXDFUDOTQWAJH-GFCCVEGCSA-N 324.384 2.438 0 50 DEAA Cn1cc(C[C@@H]2CCN(C[C@H](O)c3ccc(F)cc3)C2)cn1 304550012 UVVIPRRYNYIWOS-GUYCJALGSA-N 303.381 2.157 0 50 DEAA Cc1nc(O)ccc1C(=O)N1CC[C@@]2(C1)OCc1ccccc12 186439168 NLSBJYSPHXENDG-SFHVURJKSA-N 310.353 2.367 0 50 DEAA Cc1cnccc1NC(=O)N[C@H]1CCO[C@@H](c2cncn2C)C1 276091344 WAOPOAIHMKDZTK-SWLSCSKDSA-N 315.377 2.165 0 50 DEAA CO[C@H]1C[C@H](NC(=O)Cc2ccc(C(=O)O)cc2)C12CCC2 634806437 BFPVKRHYHWULFI-KBPBESRZSA-N 303.358 2.001 0 50 DEAA Cc1nnc(CC(=O)N2CC[C@H](Cc3ccccc3)C2)s1 669137053 RIQVISPPOAIYFB-CQSZACIVSA-N 301.415 2.480 0 50 DEAA C[C@@H](C(=O)N1CCO[C@](C)(c2ccccc2)C1)c1ccnn1C 581482518 JLWBKVXIZUFADT-KDOFPFPSSA-N 313.401 2.298 0 50 DEAA C=CC(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 585133958 KIJWMEBISYGTJN-LLVKDONJSA-N 303.312 2.445 0 50 DEAA O=C(c1ccccc1)[C@@H]1CCCN1S(=O)(=O)N1CCCCC1 585114525 HLCISVAYJGAQPG-HNNXBMFYSA-N 322.430 2.064 0 50 DEAA Nc1cc(-c2noc([C@H]3CCCN3Cc3ccccc3)n2)ncn1 585120275 DBMXJENZVWPPBQ-CQSZACIVSA-N 322.372 2.446 0 50 DEAA Cc1nnc(CN[C@@H]2CCO[C@H]2c2cnn(CC3CC3)c2)s1 661071076 DSOULEWXSVXJIP-HIFRSBDPSA-N 319.434 2.073 0 50 DEAA O=C(Cc1ccco1)N1C[C@@](O)(C(F)(F)F)c2cccnc21 1615606225 VEYPGSOMNGNTLU-ZDUSSCGKSA-N 312.247 2.014 0 50 DEAA O=C(O)[C@@H]1C[C@@H](NC(=O)N2CC(C3CC3)C2)c2ccccc21 1615613916 CDXQLVFIIQDPNE-HUUCEWRRSA-N 300.358 2.351 0 50 DEAA CCn1cccc1C(=O)N1CCOc2ccccc2[C@H]1C(=O)O 1615827574 OIPQIUSNMKXBDS-HNNXBMFYSA-N 314.341 2.169 0 50 DEAA Cc1cc(C(N)=O)c(N(C)CC[C@H](C)N2CCCC2)nc1C 1506404773 ITQRHCNYBRTRJL-ZDUSSCGKSA-N 304.438 2.108 0 50 DEAA CN1C[C@@H]2C[C@H](N(C)Cc3cc(C4CC4)on3)C[C@@H]2CC1=O 1704326569 HLWOQAKQGONDLW-VNHYZAJKSA-N 303.406 2.241 0 50 DEAA Cc1ncc(Cl)c(N2CCN(c3ncnc(C)c3C)CC2)n1 1772706249 AMLZIPGLYMZVQK-UHFFFAOYSA-N 318.812 2.172 0 50 DEAA CCc1ccc(NC(=O)N2CCC(CO)(CN(C)C)CC2)cc1 1772701708 RINJIMIBOPRFPM-UHFFFAOYSA-N 319.449 2.417 0 50 DEAA COc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1 12163937 XGCLYNKFUBFALV-UHFFFAOYSA-N 312.325 2.303 0 50 DEAA COc1ccc2[nH]c(=O)c(-c3nccn3[C@H]3CCCNC3)cc2c1 1857677789 DIZQUPSYHAFFFB-ZDUSSCGKSA-N 324.384 2.325 0 50 DEAA COc1cc(Br)ccc1C(=O)N1CCC(N)CC1 211205238 GAFSGHQTQQMKHU-UHFFFAOYSA-N 313.195 2.021 0 50 DEAA Cc1cc(F)cc(C)c1C(=O)NC[C@@H]1CCCCS1(=O)=O 613436699 RTMAVDMJEVFEIS-ZDUSSCGKSA-N 313.394 2.140 0 50 DEAA O=C(N[C@H]1CCc2ccccc2OC1)c1ncc(F)cc1F 338047103 XYAHAASHGDBAFO-LBPRGKRZSA-N 304.296 2.483 0 50 DEAA CCN(Cc1cccc(F)c1)C(=O)CN1CCCC[C@]1(C)CO 348225177 SPIDATZSHPOKDU-GOSISDBHSA-N 322.424 2.411 0 50 DEAA 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Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(c2cccc(Cl)c2)C1 534670904 DKFYVVVFAXWGHW-NSHDSACASA-N 319.796 2.023 0 50 DEAA O=C(CSC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCNC1=O 534646697 MRQLRQMPCIOJAO-ZZTKBFGJSA-N 322.474 2.083 0 50 DEAA CCCn1ncnc1[C@H](C)NC(=O)Nc1ccnn1CC(C)C 299797113 OWGXJRSTXVREMF-LBPRGKRZSA-N 319.413 2.423 0 50 DEAA O=C(c1cncs1)N1CCN(C2Cc3ccccc3C2)CC1 299776539 CPAUTKIVJVWSIU-UHFFFAOYSA-N 313.426 2.068 0 50 DEAA Cc1cnc(CN2CCC[C@@H](CNC(=O)c3ccsc3)C2)[nH]1 825116709 JNDYMZIRUZZVEP-ZDUSSCGKSA-N 318.446 2.422 0 50 DEAA CO[C@H]1COCC[C@@H]1NC(=O)c1csc(-c2ccccc2)n1 584895235 ZVDGBNPWCIFFSX-JSGCOSHPSA-N 318.398 2.344 0 50 DEAA CC1=NO[C@](C)(C(=O)NCC2CCN(C3CCCC3)CC2)C1 584887070 FCOQWTMZVNSWOM-KRWDZBQOSA-N 307.438 2.312 0 50 DEAA COCC1(CNC(=O)c2ccc(SCCO)cc2)CCC1 670445144 OCDNQCKHOQCZJF-UHFFFAOYSA-N 309.431 2.318 0 50 DEAA CSCC(=O)N1CCC[C@@H](CNC(=O)c2cccs2)C1 952970059 UATFUFOXBXLZQN-NSHDSACASA-N 312.460 2.080 0 50 DEAA Cc1c(C(=O)N2CCOC[C@@H]2C(=O)O)oc2c(Cl)cccc12 268977138 KOQAYPPHRCNDSE-LLVKDONJSA-N 323.732 2.320 0 50 DEAA CCc1nn(C)c(OC)c1CNC(=O)[C@@H]1CCCO[C@@H]1C(C)C 408474313 PRAWOSFVIGNSCM-IUODEOHRSA-N 323.437 2.059 0 50 DEAA Cc1nc(C2CCN(c3nc(N)nc4c3CCCC4)CC2)no1 95352518 KHMAWSBCQQPHDK-UHFFFAOYSA-N 314.393 2.013 0 50 DEAA Cc1ccc([C@H](NS(=O)(=O)CC2CCCC2)C(=O)O)cc1 275042444 HDLWUJPLGRJQKW-AWEZNQCLSA-N 311.403 2.230 0 50 DEAA CC1(C)CN(C(=O)NCC[S@](=O)C(C)(C)C)CC(C)(C)O1 188076100 KONYVLMAZGXAMD-NRFANRHFSA-N 318.483 2.133 0 50 DEAA CCCc1cc(C(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)no1 583244916 PDQQUCJZBDAXFY-LRDDRELGSA-N 308.378 2.037 0 50 DEAA Cn1cnnc1CN1CCC[C@H](Cn2cnc3ccccc32)C1 584933371 OUQHKYDCCOGRMV-AWEZNQCLSA-N 310.405 2.077 0 50 DEAA O=C(Nc1cnn(-c2ccccc2)c1C(F)F)[C@@H]1COCCO1 585090827 PILLEOVRJOHMHH-LBPRGKRZSA-N 323.299 2.164 0 50 DEAA Cc1ccc([C@H](C(=O)Nc2cnn3c2NCCC3)N(C)C)cc1 1506419373 ZPNZZGQRLKPRBY-OAHLLOKOSA-N 313.405 2.249 0 50 DEAA Cc1c(O)cccc1C(=O)N(CCO)Cc1ccc(F)cc1 1506428027 XCJCTGNTMSTCPQ-UHFFFAOYSA-N 303.333 2.474 0 50 DEAA COc1nc(N(C)Cc2cc(-c3cccnc3)no2)ncc1F 1529187721 YJZDDHBWBXFKEJ-UHFFFAOYSA-N 315.308 2.311 0 50 DEAA Cc1cc(F)ccc1C(=O)N(CCN(C)C)Cc1[nH]cnc1C 1704332570 STOCFTCHBWJQFL-UHFFFAOYSA-N 318.396 2.370 0 50 DEAA CN(C)CCN(Cc1cnc[nH]1)C(=O)C1(c2ccccc2)CC1 1772701269 JWUILIADIOZLIE-UHFFFAOYSA-N 312.417 2.032 0 50 DEAA CCc1ccc(NC(=O)N2C[C@@H]3COCC[C@]3(CO)C2)cc1 1772705741 PJVRLHPHWPCMNR-RHSMWYFYSA-N 304.390 2.112 0 50 DEAA CCN(CC)CCNC(=O)c1cn(C2CCCCCC2)nn1 12031210 IGJDHLCIKAMEBY-UHFFFAOYSA-N 307.442 2.245 0 50 DEAA O=C(CCc1cn[nH]c1)N1CCO[C@H](CCc2ccccc2)C1 12432636 XVAIINPHIKHHAM-QGZVFWFLSA-N 313.401 2.203 0 50 DEAA C[C@@H](O)CNCCNCc1ccccc1OCc1ccccc1 19370700 JRXOPIQMXNGUJE-MRXNPFEDSA-N 314.429 2.326 0 50 DEAA OC[C@H](O)Cn1ccnc1-c1ccc2cccc(Cl)c2n1 1857692459 FXEUQAUPSPKKSK-LLVKDONJSA-N 303.749 2.105 0 50 DEAA COC[C@]1(C)CC(=O)N(CN2CCC[C@@H]2c2cccc(C)n2)C1 225426993 QYRWOAVJVJJOLB-SJLPKXTDSA-N 317.433 2.369 0 50 DEAA COc1cc(C)ccc1OCC(=O)N1CCC[C@](C)(O)CC1 317834235 BTDFVOXCQVGROC-KRWDZBQOSA-N 307.390 2.146 0 50 DEAA CCCn1cc(CN2CCC[C@@H]2CN(C(C)=O)C2CC2)cn1 328628496 HIIFVMVIFMSZFF-QGZVFWFLSA-N 304.438 2.268 0 50 DEAA O=C(O)CN(C(=O)Cc1ccccc1C(F)(F)F)C1CC1 238075463 PCGWPDTWYSFDHK-UHFFFAOYSA-N 301.264 2.324 0 50 DEAA Cc1ccc(C2=NO[C@H](CNC(=O)[C@@H]3CCCO3)C2)cc1C 242346975 ZKTAUZUFJNHUKE-HOCLYGCPSA-N 302.374 2.092 0 50 DEAA Cc1nc(CCC(=O)N2CCN[C@H](C)C2)oc1-c1ccccc1 155087132 SWMIGZXYQCZSRF-CYBMUJFWSA-N 313.401 2.403 0 50 DEAA COc1cc(C(=O)NCCc2nc(C(=O)O)cs2)ccc1C 262327255 RXWKDEBDZTYVIM-UHFFFAOYSA-N 320.370 2.131 0 50 DEAA CCc1cc(CC)nc(N2CCCN(C(=O)C3CC3)CC2)n1 376463736 VWMWASLUPJLKDP-UHFFFAOYSA-N 302.422 2.050 0 50 DEAA CCc1cc(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)[nH]n1 263942105 JFHSSFWBLDLQKI-GFCCVEGCSA-N 303.366 2.360 0 50 DEAA Cc1ncccc1CNC(=O)Nc1cnn(-c2ccccn2)c1 1200918917 KEFJTZVKLWUMCC-UHFFFAOYSA-N 308.345 2.292 0 50 DEAA CC[C@H]1OCCC[C@@H]1C(=O)N1CC(O)(c2ccc(F)cc2)C1 802624062 CANRRYDXYQRMHE-LSDHHAIUSA-N 307.365 2.061 0 50 DEAA CCn1nc(C)c(CN2CCO[C@H](c3ccc(F)cc3F)C2)n1 824215687 RQYHHIUOYNZECK-INIZCTEOSA-N 322.359 2.458 0 50 DEAA O=C(c1c(F)ccc2c1OCO2)N1CCC[C@H]1Cn1cccn1 932115755 TWMKIFQYKGLGEV-NSHDSACASA-N 317.320 2.056 0 50 DEAA COC(=O)/C=C/CNC(=O)[C@]1(c2ccc(F)cc2)CC1(C)C 1875273031 XNWBFVHERJYGOU-LAQIPUCWSA-N 305.349 2.339 0 50 DEAA Cc1nnc([C@H](C)NC(=O)Cc2cnc3c(C)cccn23)s1 1875272189 WIEOQHNYBSXQNC-JTQLQIEISA-N 315.402 2.223 0 50 DEAA CCCCCc1cn(C2CN(C(=O)C[C@H]3CCCOC3)C2)nn1 1875323623 NFLZRKSCZFPFNB-CQSZACIVSA-N 320.437 2.211 0 50 DEAA Cc1cc(NC[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)nc(C2CC2)n1 888094150 AJXSOSKIXXKHNC-JSGCOSHPSA-N 314.393 2.279 0 50 DEAA Cn1nnnc1N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 895905521 KYKHYTMRNHSAMT-NSHDSACASA-N 306.801 2.192 0 50 DEAA CCOC(=O)[C@H]1CC[C@H](NCCn2cccn2)C(F)(F)CC1 1775997715 KKTYOHAEKWDQCP-STQMWFEESA-N 315.364 2.230 0 50 DEAA CC[C@@H](C(=O)N(C)C[C@@H](C)c1nnn[nH]1)c1ccc(F)cc1 124517254 TZQYBFKVQIZOQV-ZWNOBZJWSA-N 305.357 2.095 0 50 DEAA COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccccc1OC 71154 JIACUYZECGHBGS-ZDUSSCGKSA-N 306.387 2.003 0 50 DEAA CN1CC[C@H](O)[C@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 2356142530 WQQVCLCGRQZZRD-MSOLQXFVSA-N 324.424 2.205 0 50 DEAA CCCN1Cc2nnc(-c3c(C)nc4ccccn34)n2[C@H](C)C1=O 2356155206 BTOJEDWGQPWKCU-GFCCVEGCSA-N 324.388 2.214 0 50 DEAA Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 6699980 CQPXNIYLWXKLOC-UHFFFAOYSA-N 308.359 2.091 0 50 DEAA Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc2c(c1)ncn2C 133088589 FDODDXHRZBQZRF-HNNXBMFYSA-N 323.400 2.383 0 50 DEAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1[C@@H]1CC=CCC1 100554126 QVVHVHAKOYPDKY-GFCCVEGCSA-N 305.374 2.456 0 50 DEAA CC[C@@H]1C[C@H](C(=O)N2CCc3ccccc3[C@H]2CO)CCO1 225325131 QKZUINWPHIHZJO-BFYDXBDKSA-N 303.402 2.310 0 50 DEAA O=C(NC[C@H]1CCCCN1C1CC1)c1cc(-c2ccco2)[nH]n1 225496129 ZXKTZZUASSRNNF-CYBMUJFWSA-N 314.389 2.416 0 50 DEAA CC(C)Cn1ncc(NC(=O)NC[C@@H](N)C2CC2)c1C(F)F 415359157 JSFHJOYCPRCTRO-SNVBAGLBSA-N 315.368 2.336 0 50 DEAA O=C(NC[C@@H]1COCCO1)Nc1ccccc1OC(F)(F)F 56576440 INCGUTMQWGSGIQ-SECBINFHSA-N 320.267 2.122 0 50 DEAA CC(C)(C)c1ccc(N(CC(=O)NC2CC2)S(C)(=O)=O)cc1 10328830 ZYVMQDDJFOHPQM-UHFFFAOYSA-N 324.446 2.029 0 50 DEAA CC(C)C(=O)NCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 67804423 GYWMNYDFFJBAAZ-AWEZNQCLSA-N 324.808 2.012 0 50 DEAA COc1ccc([C@@H](NC(=O)Cc2ncc[nH]2)C(F)(F)F)cc1 1362530023 JJSZLTHLXBFMTA-CYBMUJFWSA-N 313.279 2.381 0 50 DEAA O=C1c2cccnc2CN1C[C@H](c1cccnc1)N1CCCC1 65530662 WWIRUILSEOLKRD-QGZVFWFLSA-N 308.385 2.270 0 50 DEAA O=C(CN1CC[C@H]2CCCC[C@H]2C1)NC(=O)NCc1ccco1 252444084 DEESLUCJZOYXNB-KGLIPLIRSA-N 319.405 2.118 0 50 DEAA CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@H](N)C1 253426926 BYBAUSKAUWDQAY-WBVHZDCISA-N 321.440 2.233 0 50 DEAA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC2CCC2)c(C)n1C 219218940 CGNRGXPXIXLIKJ-IAGOWNOFSA-N 320.433 2.346 0 50 DEAA Cc1nc(NC[C@H](C)Oc2cccnc2)c2c(C)nn(C)c2n1 72432068 ZOBQYDJUNGQQEU-JTQLQIEISA-N 312.377 2.255 0 50 DEAA CCN(C)[C@@H](C(=O)N[C@H]1CCc2nccn2C1)c1ccccc1 257365245 KREBRVUSFIZFIY-DOTOQJQBSA-N 312.417 2.007 0 50 DEAA CC(C)(C(=O)N[C@H]1CCCOC1)c1ccc2c(c1)OCCO2 171677732 BAKKYQVJTLBOKT-ZDUSSCGKSA-N 305.374 2.031 0 50 DEAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1ncnn1C(C)(C)C 331470584 MGSUSALAIWIIIC-RBSFLKMASA-N 322.453 2.049 0 50 DEAA CC(C)n1cnc(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)c1 366966103 LAIRFJVGTOHNQL-AWEZNQCLSA-N 315.421 2.292 0 50 DEAA CN(C(=O)[C@H]1CCCN(CC(F)(F)F)C1)c1cccnc1 172190544 GKNGOYSBNCLEGX-NSHDSACASA-N 301.312 2.319 0 50 DEAA O=C(O)[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2)CN(CC2CC2)C1 71747996 WRFWZZYFBFFEKH-STQMWFEESA-N 320.364 2.197 0 50 DEAA CC1(C)[C@@H](NC(=O)c2sccc2Br)C[C@H]1O 128820278 QPNDNUPZFSOZAO-JGVFFNPUSA-N 304.209 2.400 0 50 DEAA CC1(C)CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 72115694 VXUXMTYEKDOBJH-UHFFFAOYSA-N 311.403 2.269 0 50 DEAA COC[C@@]1(C(=O)O)CCCN(C(=O)c2ccc3c(c2)CCC3)C1 262852715 HYSSGWKKHDABLJ-GOSISDBHSA-N 317.385 2.129 0 50 DEAA COc1ccccc1[C@H]1CCCN1C(=O)c1cc2n(n1)CCO2 377927539 WCLKHRWPLMBDBL-CQSZACIVSA-N 313.357 2.261 0 50 DEAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2[nH]ccc2C)c1 282394888 HGPDPUUPAVQGDY-UKRRQHHQSA-N 300.358 2.280 0 50 DEAA O=C(O)[C@@H]1CCCCN1C(=O)c1cnc2ccc(F)cc2c1 263430218 NERQMHOPVYSOPF-AWEZNQCLSA-N 302.305 2.453 0 50 DEAA O=C(O)c1cccc(Nc2nc(NCCO)c3ccccc3n2)c1 41149954 XWCQYKBMOWIWNP-UHFFFAOYSA-N 324.340 2.476 0 50 DEAA biogenic CN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccsc1 82115052 ODISJOXBJBMUKS-UHFFFAOYSA-N 300.343 2.465 0 50 DEAA COCCN1CC[C@@H](CN(C)C(=O)c2sccc2Cl)C1 221377908 WGMHISFEAVAPHY-NSHDSACASA-N 316.854 2.442 0 50 DEAA O=C(c1conc1-c1ccccc1)N1CCC[C@H](c2nc[nH]n2)C1 426465070 CDEWTIFSBKZGMF-ZDUSSCGKSA-N 323.356 2.480 0 50 DEAA CN1CC[C@@H](N(C)C(=O)NCc2cc3cc(F)ccc3[nH]2)C1 426567089 OQDAAPRKTWVOOF-CQSZACIVSA-N 304.369 2.153 0 50 DEAA C[C@H]1c2cc(F)ccc2CCN1C(=O)NCCc1cnc[nH]1 426428964 MUODCBXKMLZUFW-NSHDSACASA-N 302.353 2.420 0 50 DEAA Cc1cc(C)n([C@H]2CCN(CC(C)(C)CN3CCOCC3)C2)n1 97742902 SPSDQSVCARDOSZ-KRWDZBQOSA-N 320.481 2.105 0 50 DEAA COCc1nc(CN2C[C@@](C)(c3ccccc3)CCC2=O)no1 91932002 KTENTCBMXRJTGL-KRWDZBQOSA-N 315.373 2.296 0 50 DEAA C[C@H](NC(=O)Nc1cn[nH]c1)c1ccc(N2CCOC2=O)cc1 140860842 ILNPSGNEMCEHPO-JTQLQIEISA-N 315.333 2.249 0 50 DEAA CCCCc1c(C)nc(N)nc1NC[C@@H](O)c1ccccn1 91695172 AVLWLJOIHNOEBK-CQSZACIVSA-N 301.394 2.250 0 50 DEAA O[C@H]1CCCOC12CCN(c1ncc(Cl)cc1F)CC2 95359770 JIWZRNVTALTOLM-LBPRGKRZSA-N 300.761 2.384 0 50 DEAA Cc1cc(C)nc(CNC(=O)[C@H](c2ccccc2C)N(C)C)n1 95359842 CWRWPQNAHYGPBB-KRWDZBQOSA-N 312.417 2.321 0 50 DEAA CCCn1cnnc1CN(C)c1ncnc2cccc(F)c12 91444851 LYEVGEZMFKNTJY-UHFFFAOYSA-N 300.341 2.407 0 50 DEAA CC1(C)[C@H](CNC(=O)c2ccnn2C2CCOCC2)C1(F)F 619383761 HUNWKCOQIMYTSR-LBPRGKRZSA-N 313.348 2.256 0 50 DEAA C[C@H](CCNC(=O)CCC(=O)N1CCCCCC1)n1ccnc1 252488547 IUOUVFQRYZSNRO-OAHLLOKOSA-N 320.437 2.133 0 50 DEAA OC[C@H]1[C@H]2[C@@H]3CC[C@@H]4[C@@H]3[C@@H]3[C@@H]([C@@H]4O)[C@@H]4[C@H]5CCC[C@H]5[C@@H]1[C@H]4[C@H]23 257355379 AKYMTYCUHLPLQZ-BUHRABHOSA-N 300.442 2.396 0 50 DEAA Cc1ccccc1CC1(N[C@H](C)CNS(=O)(=O)C2CC2)CC1 534671682 QZIYDNWBMPLITL-CQSZACIVSA-N 322.474 2.130 0 50 DEAA Nc1nc(CCNC(=O)C[C@H]2CCc3ccccc32)cs1 584897075 DMAWORORHNRPKH-GFCCVEGCSA-N 301.415 2.504 0 50 DEAA COC(=O)c1ccc([C@@H]2CC(=O)Oc3c2oc(C)cc3=O)cc1 824193715 WLZIRPMAPBVXLM-LBPRGKRZSA-N 314.293 2.176 0 50 DEAA biogenic Nc1n[nH]c([C@H]2CCCN(CCCc3c(F)cccc3F)C2)n1 585136624 NFOCORBLSRMHAW-NSHDSACASA-N 321.375 2.477 0 50 DEAA Cc1nc(CN2CCN(c3ncccc3Cl)CC2)n(C)c1C 670466596 WGUYSIGHMSPKGW-UHFFFAOYSA-N 319.840 2.408 0 50 DEAA CCn1cnnc1CN(C)[C@H]1CCN(c2ccc(F)cc2)C1 670440460 QVZPLHRSWPBMNE-HNNXBMFYSA-N 303.385 2.148 0 50 DEAA Cc1cc(C)nc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)c1 1412698996 FQLCKNULZBBOBH-QMMMGPOBSA-N 313.283 2.326 0 50 DEAA Cc1cccc(NS(=O)(=O)c2cccn3c(C)nnc23)c1 62591998 XWHJQBBVGTVLDK-UHFFFAOYSA-N 302.359 2.147 0 50 DEAA in-vitro OC[C@@H]1CCCCN1CCCNC1CCC2(CCNCC2)CC1 952982141 FNICMRFRVYYHFH-SFHVURJKSA-N 323.525 2.125 0 50 DEAA CC(C)(C)NC(=O)NCc1nncn1CCc1ccccc1 952970484 CWQYJKIBZMRPSI-UHFFFAOYSA-N 301.394 2.119 0 50 DEAA C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]c1=O)[C@H]1CCCOC1 1362336722 DYIROUOMGLOTGY-MNOVXSKESA-N 318.348 2.212 0 50 DEAA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2cc(C)no2)c1 952991456 PSZPEEFKDJICOS-UHFFFAOYSA-N 316.361 2.044 0 50 DEAA COc1cccc2c1OC[C@H](Nc1ncc(F)c(OC)n1)C2 952869571 JPXJFNGTHDSWKL-SNVBAGLBSA-N 305.309 2.049 0 50 DEAA C[C@H]1C[C@H](C)N(C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)C1 408217847 FZEBEZOQKINIIO-QWRGUYRKSA-N 310.357 2.046 0 50 DEAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC2(F)F)cc1Cl 408491815 IKXMIUQSZYSMLY-QMMMGPOBSA-N 309.721 2.109 0 50 DEAA O=C(COc1ccccc1)N[C@H]1CCCO[C@@H]1c1ccncc1 275685587 SEBUPFVKMWNIMI-FUHWJXTLSA-N 312.369 2.497 0 50 DEAA C[C@H](C(=O)NCc1ccncc1)C1CN(C(=O)OC(C)(C)C)C1 170600143 MORHIUWBCHNBJP-LBPRGKRZSA-N 319.405 2.201 0 50 DEAA CC[C@@H](NC(=O)COc1ccc(Cl)c2cccnc12)C(=O)O 190910550 TYVJTKHKHLGMTN-LLVKDONJSA-N 322.748 2.246 0 50 DEAA COC(=O)CCc1ccc(NC(=O)NCc2cocn2)cc1 584906776 BKESGOYIKQKRMG-UHFFFAOYSA-N 303.318 2.102 0 50 DEAA Cc1[nH]nc(Cl)c1CN(C)CC(C)(C)CN1CCOCC1 585117064 QCEBHKIENQDJQE-UHFFFAOYSA-N 314.861 2.162 0 50 DEAA O=C(c1ccccc1-n1ccnn1)N1CCSc2ccncc21 191963836 OPPUTGVLFPXTNL-UHFFFAOYSA-N 323.381 2.415 0 50 DEAA Cc1ncsc1C(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21 653328559 KILDCFXFWQUMNR-RYUDHWBXSA-N 302.355 2.495 0 50 DEAA CCOC(=O)c1cnn2ccc(NC(=O)[C@H]3CCCCO3)cc12 1615605408 LWZMTNXEIMYWHH-CQSZACIVSA-N 317.345 2.019 0 50 DEAA CCN(CCOc1cccc(C)c1)Cc1nc(COC)no1 1529191347 XBURGKFEPUYLTE-UHFFFAOYSA-N 305.378 2.425 0 50 DEAA CC(=O)NCCC(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1529141889 SECDWLQHUZJCBK-SJORKVTESA-N 318.417 2.137 0 50 DEAA O[C@@H]1CCC[C@@]12CCCN(Cc1nc(-c3ccco3)no1)C2 1704326437 DTZATDJYTWTQSL-CJNGLKHVSA-N 303.362 2.457 0 50 DEAA O=S1(=O)C=C[C@@H]2ON=C(c3c(Cl)cccc3Cl)[C@@H]21 5063137 ZIMMRAPYLIQKNA-GZMMTYOYSA-N 304.154 2.407 0 50 DEAA CO[C@H](C)CS(=O)(=O)N1CCCC[C@H]1c1nccs1 242339215 ZGATUJAQOSNJNR-MNOVXSKESA-N 304.437 2.035 0 50 DEAA CN1CCCN(C(=O)c2cc(Br)cs2)CC1 13323804 XUUUEFRJUHSIRJ-UHFFFAOYSA-N 303.225 2.288 0 50 DEAA O=C1C[C@H]2N(Cc3c(F)cccc3Cl)CC[C@]23OCCN13 1857728571 HYFNZJMCJXOFBI-HIFRSBDPSA-N 310.756 2.012 0 50 DEAA 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215035044 XOPUBUICIBPLOW-UHFFFAOYSA-N 313.449 2.314 0 50 DEAA Cc1ccnc(-c2noc(CN3C(=O)c4ccccc4C3=O)n2)c1 355904985 UCFDTOJDSZSGCZ-UHFFFAOYSA-N 320.308 2.236 0 50 DEAA Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cc(C)c1F 253396338 NOTUHGWBQNCFJE-ARFHVFGLSA-N 321.392 2.445 0 50 DEAA CO[C@H]1CCC[C@@H]1NC(=O)c1cc(F)cc2nc(S)[nH]c12 130510715 HEACABBWJFNGRC-ONGXEEELSA-N 309.366 2.288 0 50 DEAA COc1ccccc1C/C(C)=C/C(=O)N1C[C@H](C)N[C@H](C)C1 153564353 OPPOSUJSARBPEZ-JBBMIMBXSA-N 302.418 2.393 0 50 DEAA Cc1ccc(CNC(=O)[C@@H]2CCCN2C2CCOCC2)cc1F 153744098 BYQZURSHNLREII-KRWDZBQOSA-N 320.408 2.394 0 50 DEAA O=C([C@@H]1CC[C@H](N=c2cc[nH]c3ccncc23)C1)N1CCCC1 366624057 PWFNQNZLYSOINB-KGLIPLIRSA-N 310.401 2.255 0 50 DEAA C[C@@H]1Cc2cccc3c(=O)c(C(=O)NCc4ccccn4)cn1c23 33089078 XNWMIBLDRMJSDS-GFCCVEGCSA-N 319.364 2.444 0 50 DEAA Cc1nc2ncccn2c1C(=O)NC[C@H]1CCc2ccccc2O1 215224569 MUJKEQQYVGFZMO-CQSZACIVSA-N 322.368 2.161 0 50 DEAA Cn1ccnc(N2CCC[C@@H](Oc3ccccc3Cl)C2)c1=O 370982039 IJTSPUJIVSEGRY-GFCCVEGCSA-N 319.792 2.482 0 50 DEAA O=C(Cc1cc(F)ccc1F)N[C@H]1c2ccccc2C[C@H]1O 130927386 FUGLMZOXXOVQEP-WBVHZDCISA-N 303.308 2.282 0 50 DEAA CO[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)c2csnn2)C12CCC2 334130128 SWCAXGGFWJEXJF-ADEWGFFLSA-N 310.423 2.198 0 50 DEAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCCCCC1 262388391 ZLEHVMGDAQQKLO-KKUMJFAQSA-N 308.422 2.107 0 50 DEAA O=C(Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@H](CO)C1 76047530 LBZOLKYYPSCXMN-ZDUSSCGKSA-N 317.389 2.050 0 50 DEAA CCc1ncc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)cn1 72426902 LLAGEJUVSQVKIY-UHFFFAOYSA-N 321.384 2.497 0 50 DEAA O=C(CCCN1CCCC1)NCc1ccccc1-n1ccnc1 222824508 ZFMHSTXHCULPML-UHFFFAOYSA-N 312.417 2.365 0 50 DEAA Cc1cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)co1 285016616 ZWCUJWXQLUGRDG-XJKSGUPXSA-N 316.405 2.134 0 50 DEAA O[C@]1(Cn2ccnn2)CCCN(Cc2ccc(Cl)c(F)c2)C1 285500475 NADDHNRMCPEBEH-OAHLLOKOSA-N 324.787 2.098 0 50 DEAA O=C(COC[C@@H]1CCCCO1)NCCc1nc2ccccc2o1 222973036 KAVCGJVQJUFYEL-ZDUSSCGKSA-N 318.373 2.072 0 50 DEAA Cc1nc(C)n(CCCNC(=O)[C@@H]2CCc3ccccc3C2)n1 222557655 MGOJNQFOFHVUOV-QGZVFWFLSA-N 312.417 2.206 0 50 DEAA C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2cn[nH]c2)CC1 175556529 JJXKTDWOTLUWQF-GFCCVEGCSA-N 302.353 2.068 0 50 DEAA COCc1n[nH]c([C@@H]2CCCCN2C(=O)c2cccc(C)n2)n1 288955868 AOXHOSNEQJBVNH-ZDUSSCGKSA-N 315.377 2.022 0 50 DEAA NC[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 178580067 ZNSAZLMMSFFLCG-CYBMUJFWSA-N 322.836 2.195 0 50 DEAA COc1ccc(CNC(=O)[C@@H]2CCCCCN2C)c(F)c1F 97155745 UXTWQIOPAHMZKG-LBPRGKRZSA-N 312.360 2.464 0 50 DEAA Cc1nccn1-c1ccccc1Cn1cc([C@H]2CCOC2)nn1 91585557 KMKZKAHVESUFML-HNNXBMFYSA-N 309.373 2.324 0 50 DEAA Cc1cc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)ccc1F 230067035 JCZIFCHVUQCSDD-CABCVRRESA-N 313.394 2.466 0 50 DEAA O=C(CCC(F)(F)F)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 243893593 ASQDLDDVZIWADW-KWBADKCTSA-N 302.296 2.352 0 50 DEAA CC(=O)Nc1ccccc1NC(=O)CN(C)C1CCSCC1 244716086 LIDCGAUSCSXLRC-UHFFFAOYSA-N 321.446 2.411 0 50 DEAA Cc1cccc(COCC(=O)NC2CCC(C(=O)O)CC2)c1 621535867 RGMQCPALBXWNKC-UHFFFAOYSA-N 305.374 2.271 0 50 DEAA COCc1nc(C)c(CNC(=O)C[C@H](C)n2cccn2)s1 534651803 XISKUYHPJAWRSR-JTQLQIEISA-N 308.407 2.062 0 50 DEAA Cc1cc(C[C@H](C)NC(=O)N(C)C2Cc3ccccc3C2)n[nH]1 269215249 BVWMMOOMDLJFIJ-LBPRGKRZSA-N 312.417 2.458 0 50 DEAA Oc1cccc(CN2CCN(C3CSCCSC3)CC2)c1 584892371 XCOJFYGKMBJGDE-UHFFFAOYSA-N 324.515 2.358 0 50 DEAA Cc1nccn1CCCNC(=O)c1ccc(CN2CCCC2)o1 670473320 OZVSMFSJPRNQNJ-UHFFFAOYSA-N 316.405 2.200 0 50 DEAA Cc1ccc(C(=O)NCC(C)C)cc1NC(=O)[C@@H]1CCCO1 952868013 WGGSIEHFUKROKH-HNNXBMFYSA-N 304.390 2.498 0 50 DEAA CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NOc1ccccc1 408517317 GRXYXEXLAZJYRJ-WCQYABFASA-N 324.352 2.444 0 50 DEAA CCC1(N2CCOCC2)CCN([C@H](CC(C)C)C(=O)O)CC1 629506096 UPQPNGKALCJGNB-OAHLLOKOSA-N 312.454 2.063 0 50 DEAA Cc1nc(NC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)oc1C 275543872 OKEFGWNDXVVVAW-QWHCGFSZSA-N 319.365 2.067 0 50 DEAA Cc1noc(C)c1CCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 170619128 RSYBUOUTWBHNQY-IKARSPCKSA-N 300.358 2.031 0 50 DEAA CCc1ccc(C(=O)N2CCC(Cn3cncn3)CC2)c(O)c1 189984333 KKLGBDKTOLHNHS-UHFFFAOYSA-N 314.389 2.099 0 50 DEAA C[C@@H](O)Cc1cn(Cc2ccc(Br)c(F)c2)nn1 722017059 SQGUCLDIXNHZPG-MRVPVSSYSA-N 314.158 2.151 0 50 DEAA O=C(Cc1noc([C@H]2CCn3ccnc3C2)n1)Nc1ccccc1 193176186 VNBLAPMRABEVCF-LBPRGKRZSA-N 323.356 2.177 0 50 DEAA Nc1ccc2c(N3CCC(Cc4ccccn4)CC3)ncnc2n1 585079901 ORIPXDJJEUWKFS-UHFFFAOYSA-N 320.400 2.461 0 50 DEAA Cc1noc(C)c1[C@H](C)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 659204093 MRYMFJXMVQAUJE-QMMMGPOBSA-N 320.349 2.050 0 50 DEAA CC(C)Oc1cncc(C(=O)N2CC[C@]3(CCCNC3)C2)c1 1614997972 RIAIWGVSZFETJU-KRWDZBQOSA-N 303.406 2.085 0 50 DEAA Cc1ccc(OCCC(=O)NCc2ccc[n+]([O-])c2)cc1C 1615586820 SMYGMLFWGHUNOI-UHFFFAOYSA-N 300.358 2.022 0 50 DEAA C[C@H](NC(=O)N1C[C@H]2CCCN2C(=O)[C@H]1C)c1ccc(F)cc1 1772701866 SCLGGDYRTQKSNT-YWPYICTPSA-N 319.380 2.291 0 50 DEAA Cc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccsc2)C1 11911763 PJWRNQXPQPYPLQ-LLVKDONJSA-N 311.432 2.348 0 50 DEAA COCC(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 12297721 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CN(C)c1ccncc1C(=O)N1CCC[C@H](OCC2CC2)C1 364451185 YIAKIECXNSNXOJ-AWEZNQCLSA-N 303.406 2.179 0 50 DEAA Cc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(C(N)=O)cc1)O2 370482376 ARFNRYNHRCROSN-MRXNPFEDSA-N 310.353 2.426 0 50 DEAA Cc1cc(F)ccc1C(=O)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1 910616434 UKYYCFDFFXYZDC-OFKYTCTHSA-N 321.348 2.276 0 50 DEAA CN[C@@H]1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)C1 911657711 YAHXAVNVEGYBTP-MRVPVSSYSA-N 307.703 2.188 0 50 DEAA Cn1ccc(-c2nc(N3CCOCC3)cc3ccccc23)cc1=O 1240977988 HAKSVEXNFJHOOK-UHFFFAOYSA-N 321.380 2.437 0 50 DEAA CCc1cc(CNS(=O)(=O)C[C@H]2CCCCC2(F)F)n[nH]1 830579158 VWKGQPAOVDSHDH-SNVBAGLBSA-N 321.393 2.217 0 50 DEAA CC(C)Cc1ccccc1CN1CCC[C@@H](S(N)(=O)=O)C1 930173705 LBSKAGJAKAXFEM-MRXNPFEDSA-N 310.463 2.138 0 50 DEAA COC(=O)/C=C/CCNC(=O)c1nc(C(C)C)ncc1Cl 1875312198 WOHLNRZIRCTJLB-GQCTYLIASA-N 311.769 2.103 0 50 DEAA CN(C)C/C=C/C(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 1875375923 VMCHCZDRONCQKA-FYXZTFBWSA-N 324.428 2.346 0 50 DEAA COc1ccc([C@H](NC(=O)N[C@@H]2C[C@@H]2C(F)F)C2CC2)cn1 888100055 BZLISSWQMWYYDN-DMDPSCGWSA-N 311.332 2.494 0 50 DEAA CCOC(=O)[C@H]1CC[C@@H](NCCn2cccn2)C(F)(F)CC1 1775997714 KKTYOHAEKWDQCP-QWHCGFSZSA-N 315.364 2.230 0 50 DEAA CCCCNC(=O)N1CCn2c(nnc2C(F)(F)F)[C@@H]1C 1775993715 VUUUVSKGZRKZHV-QMMMGPOBSA-N 305.304 2.183 0 50 DEAA CC[C@H](Oc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 2325710613 HAKUIADTFNKBAX-HOTGVXAUSA-N 312.369 2.187 0 50 DEAA Cc1cc(CN2CCC([C@@H](O)C(=O)O)CC2)sc1Cl 2325787792 WXVGZLZDSVMXAT-LLVKDONJSA-N 303.811 2.367 0 50 DEAA C[C@H]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2Cl)c2ncnn21 2325805452 JGAMTKPYXLXNLB-WRWORJQWSA-N 316.752 2.244 0 50 DEAA Cc1nn(C)c(C)c1CN1CCO[C@@H](c2cccc(O)c2)C1 126730348 WSTZTXNSEZFHQX-QGZVFWFLSA-N 301.390 2.316 0 50 DEAA C[n+]1cn(C[C@H](O)COC[C@H]2CC=CCC2)c2ccccc21 98641 KSRLZNAOMZZHQH-HOTGVXAUSA-N 301.410 2.200 0 50 DEAA COC(=O)C[C@]1(O)c2ccccc2C(=O)N1Cc1ccccc1 101113 SQXUFNXWXDGSII-SFHVURJKSA-N 311.337 2.051 0 50 DEAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(C)c1 395982 SRMVGGPGKWZHCA-AWEZNQCLSA-N 304.346 2.195 0 50 DEAA CC(=O)N1C(=O)/C(=C2\SC(=S)N=C2O)c2ccccc21 1832490 DPLJMGLEZQNAFR-KTKRTIGZSA-N 304.352 2.279 0 50 DEAA O=C(O)c1c(N2CCNCC2)noc1-c1ccc(Cl)cc1 2356161244 MJAMDVYECWUSHF-UHFFFAOYSA-N 307.737 2.103 0 50 DEAA NS(=O)(=O)c1ccc(NC(=O)CCCc2ccccc2)cc1 2773977 SOPVAMAPMVBKDC-UHFFFAOYSA-N 318.398 2.295 0 50 DEAA COC(=O)CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2828684 IWIFZZZFGQKQOQ-ZETCQYMHSA-N 306.145 2.050 0 50 DEAA CC(C)(C)OC(=O)N1CCN(Cc2ccccc2C(=O)O)CC1 4253586 WXSZBPULTHYGJD-UHFFFAOYSA-N 320.389 2.438 0 50 DEAA CC1(C)CC(O)CC(C)(C)N1C[C@H](O)COc1ccccc1 4993670 PPWJWBNGFTXWOM-HNNXBMFYSA-N 307.434 2.440 0 50 DEAA Cc1cccc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 6726066 WFCVEBDIWSFAIT-UHFFFAOYSA-N 312.369 2.115 0 50 DEAA COc1nccc2c(NS(=O)(=O)C[C@H](C)OC)cccc12 414459241 ZFLPXMDWHPDDEB-JTQLQIEISA-N 310.375 2.020 0 50 DEAA CCCS(=O)(=O)N1CCN([C@H](C)CCc2ccccc2)CC1 54967129 BOTUBIHVRHCMSX-MRXNPFEDSA-N 324.490 2.365 0 50 DEAA O=C(Nc1nnc(-c2cccs2)s1)N[C@H]1CCCNC1 55309669 HCGLQPCLJJPTEW-QMMMGPOBSA-N 309.420 2.140 0 50 DEAA CC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 23280351 NIQFXVZXLBMCCN-UHFFFAOYSA-N 302.296 2.249 0 50 DEAA CCCCc1nc(CN2CCC[C@H]2[C@H]2CCCN2C(C)=O)no1 247916857 FXJGRAGWKIWKPW-LSDHHAIUSA-N 320.437 2.388 0 50 DEAA COc1ccc2c(C(=O)N(C)C)cc(-c3cnn(C)c3)nc2c1 63832836 MGNJGDIGNRNFNU-UHFFFAOYSA-N 310.357 2.346 0 50 DEAA C[C@@H]1CNCCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 124627515 VZVZHTRSKXFTGQ-LLVKDONJSA-N 316.323 2.338 0 50 DEAA CCn1cnnc1CCNC(=O)[C@@H](C)Oc1cc(C)ccc1C 63870094 SZGVWTNRSLSOTA-CQSZACIVSA-N 316.405 2.041 0 50 DEAA C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](c3nncn3C)C2)C1 229189688 BRXVGTRRXXWLGD-MCIONIFRSA-N 305.426 2.283 0 50 DEAA NC(=O)CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66851123 AAPMHIQDLFETSY-GFCCVEGCSA-N 303.189 2.242 0 50 DEAA O=C(C[C@@]1(O)C(=O)Nc2c(Cl)cccc21)c1ccccn1 32095860 KIZYWXOQFQSECD-HNNXBMFYSA-N 302.717 2.148 0 50 DEAA Cc1ncsc1CCC(=O)NCc1cn2c(n1)SCC2 65373117 BYBSLJRUHQQUPD-UHFFFAOYSA-N 308.432 2.003 0 50 DEAA CCN1CC[C@H](N(C)c2ncc(Br)cn2)[C@@H](C)C1 229925590 XACZYYVGJUCUPY-JQWIXIFHSA-N 313.243 2.406 0 50 DEAA O=C(O)CCCCN1CCC[C@@H](C(=O)NC2CCCCC2)C1 374710681 OONUXQGSTJLCHS-CQSZACIVSA-N 310.438 2.402 0 50 DEAA C[C@H](c1nnnn1C1CC1)N1CC[C@H](n2ncc3ccccc32)C1 330152519 MDABIGRJZAINET-DOMZBBRYSA-N 323.404 2.366 0 50 DEAA CC[C@@H]1CN(Cc2cnc3ccc(C)cn23)CCN1CCOC 120979822 WFUXSQKQUYDBOF-MRXNPFEDSA-N 316.449 2.185 0 50 DEAA O=C1NCCN(CCCO[C@@H]2CCCCO2)[C@H]1c1cccs1 253392420 UMSRATOYNCTINE-CABCVRRESA-N 324.446 2.154 0 50 DEAA C[C@H]1CN(C(=O)c2c(F)cccc2Br)C[C@H](C)N1 122438136 JGCGJVGKKNUWNF-IUCAKERBSA-N 315.186 2.411 0 50 DEAA CCn1nnc(C)c1CN1C[C@H](N2CCCC2)C[C@@H]1C(C)C 1363852678 QBWBHZLLSBLOMK-HZPDHXFCSA-N 305.470 2.301 0 50 DEAA CN(Cc1ncon1)C(=O)c1nc(-c2ccccc2)cs1 328589542 GYLXRESNWPHVIJ-UHFFFAOYSA-N 300.343 2.465 0 50 DEAA CN(C[C@H]1CCn2ccnc2C1)C(=O)c1ccc(Cl)cn1 328630288 PSUQJHLLDBNNQK-NSHDSACASA-N 304.781 2.266 0 50 DEAA CSc1ccc2c(c1)CCN(C(=O)c1ccc(=O)n(C)c1)C2 215954149 PCSIEZSNPHUPRT-UHFFFAOYSA-N 314.410 2.306 0 50 DEAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(F)cc(Cl)c1 219762502 YCEBGDPWNIFUDI-DGAVXFQQSA-N 313.756 2.259 0 50 DEAA O=C1CC[C@@H](CNc2cc(-c3ccccc3)nc3ccnn23)N1 72165616 LHQBWMQWLDNIPB-ZDUSSCGKSA-N 307.357 2.087 0 50 DEAA Cc1cc(CC(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)no1 368136515 VZSQXKWQASUZOW-CQSZACIVSA-N 302.378 2.497 0 50 DEAA C[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)CCN1C 239654180 BMVAHWIWUBVGBQ-HOTGVXAUSA-N 303.450 2.359 0 50 DEAA COc1ncccc1C(=O)Cn1c(=O)sc2ccccc21 241126137 JJUQXZLENHBBRV-UHFFFAOYSA-N 300.339 2.350 0 50 DEAA CCOC(=O)C(Br)(Br)Br 14769484 ZZUKBDJWZXVOQG-UHFFFAOYSA-N 324.794 2.388 0 50 DEAA biogenic O=C(Cn1cccn1)N1CCC[C@@H](COc2ccc(F)cc2)C1 77470443 YEGOMNPCNKQBKE-CQSZACIVSA-N 317.364 2.340 0 50 DEAA Cc1nc(C)c([C@@H](C)N(C)C(=O)CNC[C@H]2CCCO2)s1 237405197 YFTVMKWGWTYKQN-DGCLKSJQSA-N 311.451 2.048 0 50 DEAA CNCCc1ccccc1C(=O)NCCc1ccccc1OC 261903971 PFZDNIGGUNMHMS-UHFFFAOYSA-N 312.413 2.430 0 50 DEAA COc1ncc(Cl)c(N2CCC[C@@H](N3CCCC3=O)CC2)n1 334117845 ISFUSYHNBDMFIK-LLVKDONJSA-N 324.812 2.120 0 50 DEAA COc1ccc(C(=O)CCC(=O)N2CCC[C@@](C)(O)CC2)cc1 216102447 VXQHWPMBSMWYKU-GOSISDBHSA-N 319.401 2.422 0 50 DEAA O=C(c1cnc(C2CC2)nc1)N(CCO)CC1CCCCC1 450757041 LUBJHDQHRNVMGD-UHFFFAOYSA-N 303.406 2.369 0 50 DEAA O=C(O)C[C@H]1COCCN1C(=O)c1cccc(-c2ccoc2)c1 263228298 AMTMAFYELRRPKX-HNNXBMFYSA-N 315.325 2.262 0 50 DEAA Cn1ccnc1[C@H](Nc1ncc(Cl)cn1)C1CCOCC1 284563422 MKKIUKQCACGGFQ-GFCCVEGCSA-N 307.785 2.443 0 50 DEAA COc1cc(C)c(C(=O)N2CCC[C@]2(C)C(=O)O)cc1OC 263535646 OLKUKIGDUDGKFW-MRXNPFEDSA-N 307.346 2.092 0 50 DEAA CCCn1ncnc1[C@@H](C)NC(=O)c1nn(CC)cc1Cl 426526869 MQMYSCLOCSTQQK-SECBINFHSA-N 310.789 2.049 0 50 DEAA Nc1nc(CCCNC(=O)c2nccc3ccccc23)cs1 426546205 NWEHJNTVFULHED-UHFFFAOYSA-N 312.398 2.636 0 50 DEAA CC1(C)CN(C(=O)CCS(C)(=O)=O)C[C@@H]1c1ccccc1 91444464 CNDXUPLFOYUPMI-CQSZACIVSA-N 309.431 2.073 0 50 DEAA O=C1C[C@H](c2nc(-c3ccncc3)no2)CN1Cc1cccnc1 96141496 KCZYXOGGFWKHCF-AWEZNQCLSA-N 321.340 2.043 0 50 DEAA CN(C)[C@H](C(=O)NCCc1cccnc1)c1ccccc1F 95367736 NKORIEBUPYFXRT-INIZCTEOSA-N 301.365 2.182 0 50 DEAA Cc1cnn([C@H]2CCN(C(=O)c3ncoc3C(F)(F)F)C2)c1 615064599 DFYZLODEUWLBJY-VIFPVBQESA-N 314.267 2.286 0 50 DEAA CN1CCCC[C@@H]1CCC(=O)NCC1(Cn2cccn2)CC1 95391620 CVEAGSHAWAULHR-OAHLLOKOSA-N 304.438 2.044 0 50 DEAA Cc1cc(NC(=O)NC2CCOCC2)ccc1N1CCCC1=O 97295171 DJEJDXJJWJMZPH-UHFFFAOYSA-N 317.389 2.422 0 50 DEAA CNC[C@H]1CCN(C(=O)C2(c3ccc(C)c(OC)c3)CC2)C1 178991291 HPWZAULGODABQB-CQSZACIVSA-N 302.418 2.103 0 50 DEAA CC(C)(C)c1noc(CNC(=O)[C@H]2COc3ccccc3C2)n1 95499292 BOQRQIXBNYAKRA-GFCCVEGCSA-N 315.373 2.235 0 50 DEAA COc1ccccc1OC1CN(C(=O)[C@H](C)n2cc(C)cn2)C1 91468396 IBNXLKMBWGODJD-ZDUSSCGKSA-N 315.373 2.051 0 50 DEAA CC[C@@H](C(=O)NC1CCCC1)N(C)CCn1nc(C)cc1C 244787718 QCIWHAIBDXTUGD-INIZCTEOSA-N 306.454 2.269 0 50 DEAA COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@H]3C2)cc1 244817220 SWKUSIMPZAFGBJ-KSSFIOAISA-N 318.417 2.261 0 50 DEAA C[C@@H](NC(=O)CN1CCC[C@H](C(=O)O)C1)c1ccccc1Cl 294308349 XWGPQJGGQQGZFN-NEPJUHHUSA-N 324.808 2.314 0 50 DEAA CCc1onc(C)c1NC(=O)[C@@H]1CCCO[C@H]1c1nccn1C 622833484 COYCRCSADZVFLD-BXUZGUMPSA-N 318.377 2.385 0 50 DEAA COC[C@H](C)NC(=O)c1ccc(-c2cnn(C)c2C(C)=O)cc1 534586704 NMBPOLZLSMDAJS-NSHDSACASA-N 315.373 2.054 0 50 DEAA C[C@@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)C1CC1 262131691 LMQRHFSNPKGEBH-MEBBXXQBSA-N 300.358 2.326 0 50 DEAA CCCn1cc(NC(=O)NCc2cc(CC(C)C)no2)nn1 299760824 PEFGOABRYUJQKO-UHFFFAOYSA-N 306.370 2.196 0 50 DEAA CN1CCC[C@]2(CCCN(S(=O)(=O)CC3CCCC3)C2)C1 823778014 YVISAYCMXPCUFJ-INIZCTEOSA-N 314.495 2.314 0 50 DEAA O=C(c1ccc2c3c([nH]c2c1)CCCC3)N1C[C@@H](O)[C@H](F)C1 952971559 UNMZOTGAPGPVTD-CZUORRHYSA-N 302.349 2.202 0 50 DEAA NCCOc1cccc(CC(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 1565511219 AXBCQOLHAIOUCK-MSOLQXFVSA-N 310.397 2.239 0 50 DEAA CC1(C)OC(=O)c2c(C(=O)NC[C@H]3CCCOC3)cccc21 408522451 JJFUSPJIIXIANZ-LLVKDONJSA-N 303.358 2.249 0 50 DEAA CCN(CC)Cc1ccc(CNC(=O)c2cccc(N)n2)cc1 272341994 PCJPHURKURYZPL-UHFFFAOYSA-N 312.417 2.436 0 50 DEAA CN1CCN(C(=O)C2=CCCCCC2)C[C@@H]1c1nccn1C 275331138 ACAYWQPEKKBBKD-OAHLLOKOSA-N 302.422 2.126 0 50 DEAA CN1C[C@@H](NC(=O)NCc2ccc(C3CCC3)cc2)CCC1=O 277076467 LXCLQKXRLLQRTE-INIZCTEOSA-N 315.417 2.374 0 50 DEAA Cc1cnn([C@@H]2CCCN(C(=O)NC[C@H]3CCC(C)(C)O3)C2)c1 188176743 DLXJTRSKNPTWJF-HUUCEWRRSA-N 320.437 2.496 0 50 DEAA C[C@H]1OCCN(C(=O)C(=O)Nc2ccc(F)cc2Cl)[C@@H]1C 190039460 SEDARXFDQBUCHH-RKDXNWHRSA-N 314.744 2.053 0 50 DEAA Cn1cc([C@@H]2CCN(CC3CCC4(CC3)OCCO4)C2)cn1 190237233 NVONXHKIWUUOBT-OAHLLOKOSA-N 305.422 2.143 0 50 DEAA CN(Cc1cn(C(C)(C)C)nn1)C[C@H]1COc2ccccc2O1 191177443 SIEVBHJGKCJYQY-AWEZNQCLSA-N 316.405 2.305 0 50 DEAA CNC(=O)[C@]1(COC)CCCN1Cc1cccc(Cl)c1F 643764792 DXSGSCIGMIGBCX-OAHLLOKOSA-N 314.788 2.206 0 50 DEAA O=C(NCc1ccnc(N2CCCCC2)c1)Nc1cnns1 192338445 NCPMIAVGEGHPLZ-UHFFFAOYSA-N 318.406 2.245 0 50 DEAA O[C@@]1(c2cnn[nH]2)CCCN(Cc2ccc(F)c(Cl)c2)C1 583617501 FUZBFBNCFVUBMO-AWEZNQCLSA-N 310.760 2.081 0 50 DEAA C[C@H](CC(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21)n1ccnc1 653326784 KZSJWWBGDZLINT-BYCMXARLSA-N 313.357 2.264 0 50 DEAA Cc1cnn(-c2cccc(N3CCC(F)(F)[C@H](CO)C3)n2)c1 1615001803 GQXYEAOELVBNST-LBPRGKRZSA-N 308.332 2.030 0 50 DEAA CSc1ccccc1CC(=O)O[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)C(=O)O[C@H]31 1615571345 JMEDWHNPSVWDDR-UPBMQRFZSA-N 318.394 2.444 0 50 DEAA Cc1nsc(Br)c1C(=O)N[C@@H](C)C[C@H](C)O 1776006369 OSTAFJTXTAOPLO-WDSKDSINSA-N 307.213 2.103 0 50 DEAA O=C(O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 72021 XXTGKIRVFYJOKQ-MDWZMJQESA-N 311.293 2.271 0 50 DEAA Cc1nc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)cn1C 1857728827 NRQHSMCHDOCVIF-AWEZNQCLSA-N 316.405 2.493 0 50 DEAA Cc1nc(N2CCCc3ccccc3C2)sc1S(N)(=O)=O 225777945 NXUUUDZCLKXMHR-UHFFFAOYSA-N 323.443 2.052 0 50 DEAA Cc1ccccc1[C@H](C)NC(=O)NCc1nc(N(C)C)no1 225853660 YNONLZQXSXKZAR-NSHDSACASA-N 303.366 2.004 0 50 DEAA CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC(C)CC2)cc1 4280273 DDRZTQYNAAAJIL-INIZCTEOSA-N 306.406 2.117 0 50 DEAA COc1ccccc1C[C@H](CNC(=O)C1[C@H]2CCC[C@H]12)C(=O)O 237261472 GRHZSGVFZCPMAX-RDBSUJKOSA-N 317.385 2.101 0 50 DEAA O=C(NCc1nc(C2CC2)n[nH]1)N1CC[C@H](C2CCCC2)C1 333762553 POZJUUWMMDUZCC-ZDUSSCGKSA-N 303.410 2.404 0 50 DEAA CCO[C@H]1C[C@H](NC(=O)NCC[C@@H]2COc3ccccc3O2)C1 660923031 NIKODPDBGQYBRM-MGPQQGTHSA-N 320.389 2.083 0 50 DEAA CSC(C)(C)CNCc1ccc(S(N)(=O)=O)c(Cl)c1 585087292 VXDUZXNRWLYACV-UHFFFAOYSA-N 322.883 2.219 0 50 DEAA CCc1nc([C@@H]2CCCN2Cc2noc3c2COCC3)no1 929439141 JFPVVXSOHZDDFK-LBPRGKRZSA-N 304.350 2.030 0 50 DEAA C[C@H]1Cc2cc(C(=O)NC3CCC(C(=O)O)CC3)ccc2O1 851598735 DIFIXQHGRSIPLV-IFQILLTASA-N 303.358 2.383 0 50 DEAA CCc1nnc([C@H]2CCCN(C(=O)C3CCC(O)CC3)[C@H]2C)o1 952852701 NJNCOXARPXHOSW-ABXWRUBCSA-N 321.421 2.278 0 50 DEAA CCN(CC)[C@H]1CCN(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)N3C)C1 1875295430 XUVBTASBZGYVRM-YVSFHVDLSA-N 322.497 2.127 0 50 DEAA O=C(OCCc1cnc(O)nc1)[C@H](CC(F)F)C1CCC1 1875307756 ULFVXZMRZYENQO-LLVKDONJSA-N 300.305 2.339 0 50 DEAA COc1cc(C)c(C(=O)N[C@@H]2C[C@]2(C)OC(C)C)cc1C(=O)O 1875319332 XTCGXWAPCHYNEE-PBHICJAKSA-N 321.373 2.388 0 50 DEAA CC(C)n1[nH]cnc1=NC(=O)c1cccc(C(F)(F)F)c1O 899164731 CUSYXNVPEACSDC-UHFFFAOYSA-N 314.267 2.258 0 50 DEAA O=C(Nc1cc(Cl)cc(Cl)c1)N1CCOC[C@@H](CO)C1 96164556 HARIZUWEUWTBQE-SECBINFHSA-N 319.188 2.466 0 50 DEAA Cn1nc(C(F)F)cc1C(=O)N[C@H]1C[C@H](O)c2ccccc21 2325757513 DUVKDKNTHRGHIO-GWCFXTLKSA-N 307.300 2.266 0 50 DEAA CO[C@@H]1CC[C@@H]1CC(=O)N1CCN(c2cccc(F)c2)CC1 2325804642 BGXFRCBLKIAFJI-CZUORRHYSA-N 306.381 2.289 0 50 DEAA NC(=O)c1ccccc1NC(=O)c1cc2ccccc2oc1=O 76861 BIQPPWGNMNMSJR-UHFFFAOYSA-N 308.293 2.144 0 50 DEAA biogenic Cc1ccnc(NS(=O)(=O)c2ccc(-n3cccc3)cc2)n1 85343 POFAVSCRATUWML-UHFFFAOYSA-N 314.370 2.377 0 50 DEAA Cc1ccc(N2C[C@@H](C(=O)NCc3cccnc3)CC2=O)cc1 367249 IPCXAZSEWGYCGJ-HNNXBMFYSA-N 309.369 2.059 0 50 DEAA Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccco2)cc1C 1851423 YSJJFCNJFRHWRY-UHFFFAOYSA-N 315.325 2.052 0 50 DEAA C[C@]1(O)CCOC2(CCN(Cc3cc(C4CC4)on3)CC2)C1 2356153768 UJXZNJVZTRZABI-INIZCTEOSA-N 306.406 2.448 0 50 DEAA CCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 4998630 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312.417 2.380 0 50 DEAA Cc1nn(C(C)C)cc1CN1CCO[C@@H](c2cnn(C)c2)C1 281486694 GBPSJMVPFUWFKK-MRXNPFEDSA-N 303.410 2.079 0 50 DEAA COc1ccc(/C(C)=C/C(=O)N2CCC[C@H](C(=O)O)C2)cc1 128556748 WLRNZLWTFYPUSZ-WONIAPNHSA-N 303.358 2.422 0 50 DEAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1csc(CN)n1 237499395 QUGNYTVVWOXUPL-LLVKDONJSA-N 316.430 2.083 0 50 DEAA CCCCc1nc(CN2CCn3nc([C@H](C)O)cc3C2)c[nH]1 219800464 UWKAHKROHRXCAT-LBPRGKRZSA-N 303.410 2.018 0 50 DEAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1cccnc1 237978701 QPHIJDNDOJJXFY-BSAHJYFCSA-N 300.358 2.339 0 50 DEAA Cn1cncc1[C@@H]1C[C@H](NC(=O)COC2CCCCC2)CCO1 338228653 LDTBMKAMTYAOSH-CJNGLKHVSA-N 321.421 2.106 0 50 DEAA Cn1ncnc1CCNC(=O)C1(c2ccccc2)CCCCC1 222280102 UYCIHTFAJCRLFQ-UHFFFAOYSA-N 312.417 2.376 0 50 DEAA O=C(c1conc1-c1ccccc1)N1CCC[C@@H](c2nc[nH]n2)C1 426465069 CDEWTIFSBKZGMF-CYBMUJFWSA-N 323.356 2.480 0 50 DEAA Cc1ccc(CN2CCC[C@@H](c3ccnn3CC(=O)O)C2)o1 426580952 JVIGYBUSYWEUGM-CYBMUJFWSA-N 303.362 2.249 0 50 DEAA COCCN1CCC(CN(C)c2nccc(C(C)C)n2)CC1 91562843 UUOQPLGLYKLJHF-UHFFFAOYSA-N 306.454 2.395 0 50 DEAA Cc1nc(C)n(CCNC(=O)c2ccc3cccc(F)c3n2)n1 91781381 FDAFJBGHPNBJPA-UHFFFAOYSA-N 313.336 2.012 0 50 DEAA COCC1(C(=O)NCCNC(=O)c2ccccc2Cl)CCC1 97600924 BYMNCENWKFOIPF-UHFFFAOYSA-N 324.808 2.003 0 50 DEAA O=C(NCCSc1ncn[nH]1)Nc1cccc2c1CCC2 95508755 ZYJBLBVHVRRWME-UHFFFAOYSA-N 303.391 2.207 0 50 DEAA COc1cccc(N2CCN(CCSC(C)C)CC2=O)c1 91793714 GFRVOOGZZYWKSU-UHFFFAOYSA-N 308.447 2.485 0 50 DEAA Cn1nc(C2CC2)nc1CS(=O)(=O)C[C@@H]1CC[C@H]2C[C@H]2C1 621995468 BLJQNJYWANSAHN-KGYLQXTDSA-N 309.435 2.044 0 50 DEAA O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)[C@H]1C[C@H]1C(=O)O 299752914 VYWCPWCTWAUFBL-IVZWLZJFSA-N 305.227 2.266 0 50 DEAA Cn1cc(CCCN2CC[C@H](n3cnc4c3CCCC4)C2)cn1 299740426 ZRHLKGSRXNEKRU-INIZCTEOSA-N 313.449 2.375 0 50 DEAA COc1ccc(CCCNC(=O)N2C[C@H]3CC[C@@H](C2)NC3)cc1 534586967 FMJGARYWRNQPAK-HOTGVXAUSA-N 317.433 2.021 0 50 DEAA CCn1ncc(CNC(=O)N(C)Cc2ccnc(C)c2)c1C 534588345 PLXXKPSCRFZLEH-UHFFFAOYSA-N 301.394 2.256 0 50 DEAA CC(=O)N1CCC[C@H](CNC(=O)c2ccc(C)n2C(F)F)C1 299762892 CXMQSFVXIHVIAX-GFCCVEGCSA-N 313.348 2.180 0 50 DEAA CCCN1CCC[C@@]2(CCCN2C(=O)c2csc(C)n2)C1=O 1940198270 ZPOGOKCWNRZITJ-MRXNPFEDSA-N 321.446 2.459 0 50 DEAA Cc1ccccc1COC1CN(C(=O)CCCc2cn[nH]c2)C1 299794531 JUIRCHQUDHLALD-UHFFFAOYSA-N 313.401 2.468 0 50 DEAA Cc1ccc2nc(CNC(=O)c3nn(C)cc3Cl)[nH]c2c1 825206901 XHHZJTHAVUYVFF-UHFFFAOYSA-N 303.753 2.188 0 50 DEAA CCc1noc(C)c1C(=O)NCCc1cn2ccsc2n1 670473414 UNSQZGCZQNRLEN-UHFFFAOYSA-N 304.375 2.227 0 50 DEAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc(F)c[nH]2)C3)n1 685943132 RURQVBWRVPPIGM-BONVTDFDSA-N 304.325 2.039 0 50 DEAA CCn1c(C)cc2cc(NC(=O)CCS(C)(=O)=O)ccc21 952983131 OOELJWWSFCLRFU-UHFFFAOYSA-N 308.403 2.343 0 50 DEAA Cc1cnccc1N1CCCN(C(=O)c2c(C)noc2C)CC1 952987227 TWPQLCLNEPSPAC-UHFFFAOYSA-N 314.389 2.347 0 50 DEAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)[C@@H](C)C(F)(F)F 408042674 HTWRQPYTCNHREA-GMSGAONNSA-N 305.300 2.125 0 50 DEAA CCc1nn(C)cc1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C 408473918 RXJIKUMHRBYWMC-CHWSQXEVSA-N 313.405 2.089 0 50 DEAA O=C(NC[C@H]1CCCOC1)c1ncc(Br)s1 408514487 YVBKCOSOZSPKFZ-SSDOTTSWSA-N 305.197 2.062 0 50 DEAA C[C@H](c1nc(CN2C(=O)NC(C)(C)C2=O)no1)c1cccs1 273878032 AQQDGIJIUAPKPA-QMMMGPOBSA-N 320.374 2.113 0 50 DEAA CCc1nnc(S)n1CCNC(=O)c1sccc1C1CC1 170644956 FUIWAISZXDSXBX-UHFFFAOYSA-N 322.459 2.498 0 50 DEAA O=C(NCc1ccc(F)cn1)N1CCCC[C@@H]1c1cc[nH]n1 672951823 IIFYPHHKFRLCFQ-CQSZACIVSA-N 303.341 2.381 0 50 DEAA CCn1ccnc1[C@H](NC(=O)c1cc(C)on1)C1CCOCC1 581899705 FJQTYUIFGRMUMF-CQSZACIVSA-N 318.377 2.097 0 50 DEAA CC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 585091916 HJBYRHHAARVPHN-VXGBXAGGSA-N 306.328 2.188 0 50 DEAA CCn1cc(S(=O)(=O)Nc2ccnc(Cl)c2F)nc1C 585128641 JFJBEAQDHVNGTD-UHFFFAOYSA-N 318.761 2.200 0 50 DEAA O=C(O)c1coc(N2CCC(c3ncc4n3CCCC4)CC2)n1 649398762 HDWRHLOLRGFFRC-UHFFFAOYSA-N 316.361 2.290 0 50 DEAA Cc1nccc(NC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)n1 682437531 KREUMEHZDUONEF-YJFSRANCSA-N 301.268 2.079 0 50 DEAA Cc1ccnc(CN(C)Cc2ccc(OCC(=O)O)cc2)c1 652501996 GCJKWDFFQKIHHF-UHFFFAOYSA-N 300.358 2.485 0 50 DEAA CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C/C=C/C(=O)OCC)C1 1615586223 OXCZLFFREPFNOW-FSQQNCNXSA-N 310.438 2.123 0 50 DEAA COc1cc(NC(=O)C(C)(C)Cc2ccc(O)cc2)nn1C 1646593478 LUVCQYURKSWYDU-UHFFFAOYSA-N 303.362 2.342 0 50 DEAA C[C@H](Cc1ccsc1)NC(=O)N[C@]1(C)CC(C)(C)OC1=O 1646631429 ZXKQAOWKJMDBIN-MEBBXXQBSA-N 310.419 2.463 0 50 DEAA O=C(c1ccc2scnc2c1)N1CCNC(=O)C12CCCC2 1506414921 IYSGTTQHGKYXIK-UHFFFAOYSA-N 315.398 2.181 0 50 DEAA O=C(O)[C@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1c1ccccc1 216394884 WGKPXJFQCYHAKW-SJORKVTESA-N 324.380 2.341 0 50 DEAA Cc1cccc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1F 1704339038 BVPVGQUZISADEI-CRAIPNDOSA-N 320.408 2.053 0 50 DEAA CCC(=O)NCc1nnc(SCc2ccc(F)cc2)n1C 11969773 LRUWXBIJLNOOON-UHFFFAOYSA-N 308.382 2.273 0 50 DEAA O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCCC1 13011255 JUOIBIRCPDBRJI-UHFFFAOYSA-N 322.430 2.097 0 50 DEAA CC(C)c1nc(CNC(=O)c2ccc(N3CCCC3)nc2)no1 15063771 BVWFGKBWJKWULF-UHFFFAOYSA-N 315.377 2.118 0 50 DEAA COc1ccc(NC(=O)CCSc2nnc(N)s2)cc1 17087053 JFPKPCIBCXHSJD-UHFFFAOYSA-N 310.404 2.250 0 50 DEAA CN(Cc1cc(-c2ccccc2)no1)C[C@@H](O)C1CCNCC1 1857666375 ZTDCZXAZFMZBLS-GOSISDBHSA-N 315.417 2.134 0 50 DEAA CCOC(=O)CN1CCc2c(-c3ccccc3)nn(C)c2CC1 1857680100 BHANYNDWMCDRCV-UHFFFAOYSA-N 313.401 2.051 0 50 DEAA Cc1noc(CN2CCc3[nH]nc(-c4ccccc4)c3CC2)n1 1857701959 UCDRWCAJNAGCBK-UHFFFAOYSA-N 309.373 2.369 0 50 DEAA C[C@@H](C(=O)NS(=O)(=O)c1cccc(F)c1F)C(C)(F)F 816029325 AXNZSNZYXNAUMM-LURJTMIESA-N 313.272 2.061 0 50 DEAA COc1c(C(=O)O)cc(-c2ncc(F)cn2)c(OC)c1OC 1875251154 OAAKZFZJCYCWTM-UHFFFAOYSA-N 308.265 2.007 0 50 DEAA CNC(=O)[C@@H]1CCCCN1C(=O)c1coc2ccc(OC)cc12 331964643 MEGHBGWLOIWYAU-AWEZNQCLSA-N 316.357 2.182 0 50 DEAA CCc1ccc([C@H](C)CC(=O)N2CCO[C@@H](C(=O)O)C2)cc1 236974470 QNJPACPAWIUBQF-IUODEOHRSA-N 305.374 2.055 0 50 DEAA O=C(O)C[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCO1 238049749 TVSJKASFCTUMFK-VIFPVBQESA-N 317.263 2.021 0 50 DEAA COc1ccc(OC)c(COC[C@@H](O)CN2CCCCC2)c1 12420180 BTZOVTNBAOTDQK-HNNXBMFYSA-N 309.406 2.067 0 50 DEAA O=C(NCc1cscn1)NC1CCN(c2nccs2)CC1 252501872 UJVLEPMOMMDSEC-UHFFFAOYSA-N 323.447 2.068 0 50 DEAA C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C)c2ccccc21 264953470 YIULOKIZEWHKDW-ZDUSSCGKSA-N 315.417 2.164 0 50 DEAA COc1cccn2ncc(C(=O)NC(C)(C)[C@@H]3CCCCO3)c12 828308825 VIDCPJCZURFZTB-AWEZNQCLSA-N 317.389 2.420 0 50 DEAA COC[C@@H]1COCCN1C(=O)Nc1cc(C)cnc1OC(C)C 931584638 VFILKDQGLSOEJE-CYBMUJFWSA-N 323.393 2.056 0 50 DEAA Cc1nc(Cn2cc([C@H](O)Cc3ccccc3)nn2)cs1 849142070 OSNYJVVCVNYWRX-OAHLLOKOSA-N 300.387 2.367 0 50 DEAA CC(=O)c1[nH]c2ccccc2c1C(=O)N[C@H]1C[C@@H](O)C1(C)C 1875278287 NLBKPPWENVXDKM-QWHCGFSZSA-N 300.358 2.260 0 50 DEAA COc1c(CN[C@H](C)C2(O)CCOCC2)oc2ccccc12 1875285717 XDOSDMGKKTVPHF-GFCCVEGCSA-N 305.374 2.461 0 50 DEAA Cn1ccc(=Nc2ccccc2NC(=O)CC2(CN)CCC2)[nH]1 1875319774 RCZMIUFKDKTMGJ-UHFFFAOYSA-N 313.405 2.043 0 50 DEAA Cn1cc(CN2CCC(OCCO)CC2)c(C2CCCC2)n1 892192232 OWAXYRSRTREOGH-UHFFFAOYSA-N 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2.452 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 237952241 IXEZRRQHSSSWJP-SSDOTTSWSA-N 305.227 2.391 0 50 DEAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Cc1ccon1 330193886 OLYZUYAOKBVBJD-NSHDSACASA-N 315.377 2.070 0 50 DEAA CCc1ccc(CN(C)C(=O)[C@H](O)c2ccc(F)cc2)nc1 215220012 ZDZFZYDUJLNIEV-MRXNPFEDSA-N 302.349 2.475 0 50 DEAA O=S(=O)(c1cnc2ccsc2c1)N1CCC(F)(F)C1 331954028 ZVVYSRDFSPRIRY-UHFFFAOYSA-N 304.343 2.326 0 50 DEAA CCn1c(CN2CCO[C@H](C)[C@H]2C(=N)O)nc2cc(F)ccc21 332303409 ZXHVRQCZCYJRST-BMIGLBTASA-N 320.368 2.320 0 50 DEAA CNc1ccccc1C(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1 333163617 OJSGGAITWJQFIQ-CXAGYDPISA-N 304.390 2.138 0 50 DEAA O=C(O)[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)c2ccccc21 177483442 YVMQMQUIWPKQAZ-CZUORRHYSA-N 309.321 2.205 0 50 DEAA Cc1nn(C(C)C)cc1CN[C@H]1CCCN(c2ccnn2C)C1 239782394 CODHSQHFSFWWPD-INIZCTEOSA-N 316.453 2.265 0 50 DEAA C[C@@H]1CCCN(CCCNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)C1 241121787 JDWGEVKLRGRJMV-YYIAUSFCSA-N 323.481 2.365 0 50 DEAA 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DEAA C[C@H](c1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1)C(F)(F)F 454415540 SSVDKYGHEKDRGQ-SKDRFNHKSA-N 314.307 2.442 0 50 DEAA Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](CC(F)F)C(=O)O 262954118 IRPAKFAOXBQVSA-JTQLQIEISA-N 324.283 2.488 0 50 DEAA O=C(O)[C@@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc2c(c1)CCO2 263009014 LIDICOXNCNJQKS-KHJVZFFJSA-N 313.353 2.076 0 50 DEAA N[C@H]1CCC[C@H]1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 237879671 MAGHUEVQSKSUDX-ZBFHGGJFSA-N 312.417 2.396 0 50 DEAA Cn1cncc1CNC[C@H]1CCCN(Cc2cccs2)C1 237933851 KLGHNNXRWZITRU-CQSZACIVSA-N 304.463 2.483 0 50 DEAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1cc(F)c(F)cc1F 263226895 QDAGMKATCSIUHX-RKDXNWHRSA-N 315.291 2.358 0 50 DEAA CC(=O)N1CC[C@@H](NC(=O)c2oc(-c3ccccc3)nc2C)C1 159847925 COQNVWPYWDAERS-CQSZACIVSA-N 313.357 2.001 0 50 DEAA COc1ccc(CNC(=O)N[C@@H](C(C)C)[C@@H](CO)C(C)C)nc1 458708379 SRIBGUQYSIMOHH-HOTGVXAUSA-N 323.437 2.179 0 50 DEAA O=C1C[C@@H](Cc2ccc(-c3nn[nH]n3)cc2)CN1c1ccccc1 222810067 ZEMXLORYZPIVCG-CQSZACIVSA-N 319.368 2.462 0 50 DEAA NC(=O)CN1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1 426518923 GHOYFNXTLAOSOH-SFHVURJKSA-N 307.482 2.230 0 50 DEAA O=C(CCCOc1ccccc1)N1CCC[C@H](c2ncn[nH]2)C1 221265455 HIOFUWADKQESGP-AWEZNQCLSA-N 314.389 2.370 0 50 DEAA CC(C)C(=O)Nc1cc(NC(=O)N2CC[C@H](CN)C2)ccc1F 426562854 IAPQKURSMYLKLA-LLVKDONJSA-N 322.384 2.233 0 50 DEAA CCCCc1nc(C)cc(NCCNC(=O)[C@@H]2CC2(C)C)n1 426621767 QYWHVBYLXDHUPM-ZDUSSCGKSA-N 304.438 2.702 0 50 DEAA O=C(c1cc(Cl)c[nH]c1=O)N(Cc1ccncc1)C1CC1 220502262 KXJIYKUAGXKEEF-UHFFFAOYSA-N 303.749 2.228 0 50 DEAA CCN(CCNC(=O)N1CCCC[C@H]1CO)c1cccc(C)c1 426465200 MXBBZHJVPCKRKI-KRWDZBQOSA-N 319.449 2.378 0 50 DEAA COc1cc(/C=C/C(=O)N2CC[C@@H](CN)C2)cc(Cl)c1OC 178567142 VLCUJUHWMHWJDH-PCAWENJQSA-N 324.808 2.178 0 50 DEAA O=C(NCc1c[nH]nc1-c1cccs1)c1n[nH]c2c1CCC2 426373860 UNSRFXMOYBOJSS-UHFFFAOYSA-N 313.386 2.280 0 50 DEAA NC(=O)c1cc2c(nc1C[C@@H]1COc3ccccc3C1)CCC2 91914971 NPOSNSVZEQSGGT-GFCCVEGCSA-N 308.381 2.463 0 50 DEAA Cc1nn(C)c2nc(NCCCCCN3CCOCC3)sc12 95505242 PMFZMTPFTOZADP-UHFFFAOYSA-N 323.466 2.253 0 50 DEAA Cc1nc([C@@H](C)NC(=O)c2c[nH]nc2-c2cccc(F)c2)n[nH]1 91452782 KWIHDCYPIDSLRR-MRVPVSSYSA-N 314.324 2.133 0 50 DEAA COc1cccc2c1OC[C@@H](C(=O)NCCc1cscn1)C2 91562911 XRFWPHXEZKALLE-LBPRGKRZSA-N 318.398 2.062 0 50 DEAA CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CN(C)C[C@@H]1C1CC1 91846746 RWUYUUDQXZBZHI-CVEARBPZSA-N 318.465 2.172 0 50 DEAA FC(F)(F)c1ccnc(N[C@@H]2CCCN(c3cnccn3)C2)n1 95387237 RIPVSHMGUOLHAZ-SNVBAGLBSA-N 324.310 2.366 0 50 DEAA CN(C)[C@@H](C(=O)NCCc1nccs1)c1cccc(F)c1 95375118 OCQKJZFDBBETIH-CQSZACIVSA-N 307.394 2.244 0 50 DEAA CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)CC1 244719092 LWRUCBQIXMSZEY-BETUJISGSA-N 321.421 2.475 0 50 DEAA CSc1ncc(CN2CCCN(C(=O)C3CCC3)CC2)cn1 244626516 FNFJBQTZRQXACD-UHFFFAOYSA-N 320.462 2.033 0 50 DEAA COc1cc2c(cc1CNC(=O)N1CC[C@@H](N(C)C)C1)CCC2 534587828 LGYBDRKMZVZSFI-MRXNPFEDSA-N 317.433 2.029 0 50 DEAA O=C(O[C@@H]1CCNC1=O)c1sc(Br)cc1Cl 2325810118 VVYNFNOCSANDBV-RXMQYKEDSA-N 324.583 2.209 0 50 DEAA CC(C)C[C@@H](NC(=O)c1ncoc1C1CC1)c1ncnn1C 534631132 NABAAZCLJFJXCF-LLVKDONJSA-N 303.366 2.198 0 50 DEAA Cc1n[nH]c(C2CC2)c1C(=O)NC[C@@H]1Cc2ccccc2CN1C 299786953 OHHZBRMYVCEUIA-INIZCTEOSA-N 324.428 2.382 0 50 DEAA O=C(NCCOc1cccc2cccnc12)[C@H]1CCCCO1 299784544 MHEVQIMJJPRHMU-OAHLLOKOSA-N 300.358 2.299 0 50 DEAA O=C(NC[C@@H]1COc2ccccc2O1)c1cccc2c1COC2 1940197788 QSUKZEVFTJFUPJ-CYBMUJFWSA-N 311.337 2.287 0 50 DEAA O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)O)C2)c1cccs1 299786055 PAPBAQCQTKHRIR-LURJTMIESA-N 322.367 2.287 0 50 DEAA O=C1C[C@@H](C(=O)N2CCOc3ccccc3C2)C2(CCCC2)O1 584901134 CNQAUDBDECUBSJ-AWEZNQCLSA-N 315.369 2.284 0 50 DEAA O=C(OCCc1nn[nH]n1)C1CCC(c2ccccc2)CC1 585136219 WOVODSVZUBKIRK-UHFFFAOYSA-N 300.362 2.259 0 50 DEAA CS(=O)(=O)CCN1CCC(Oc2cccc(Cl)c2)CC1 670448626 LFRUBNDJYSUDIZ-UHFFFAOYSA-N 317.838 2.228 0 50 DEAA COCCc1nc(Cc2ccccc2OC)n(-c2ccncc2)n1 670440747 HEAPSHCRGNZMSP-UHFFFAOYSA-N 324.384 2.451 0 50 DEAA CCCc1noc(-c2nc(-c3ccc4c(c3)OCO4)no2)n1 169759368 QBQLVOWPKOHWNE-UHFFFAOYSA-N 300.274 2.468 0 50 DEAA COc1nccc(C(=O)N2CCC(OCC3CCCC3)CC2)n1 1361742173 CWFDIUGXXFLEEG-UHFFFAOYSA-N 319.405 2.297 0 50 DEAA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2O)c2cc(Cl)ccc2n1 1565531307 KDPYVRMKWGXVLJ-GJZGRUSLSA-N 320.776 2.076 0 50 DEAA Cn1ncc(C(F)(F)F)c1CNc1ncccc1C(=O)O 629767062 GKRWYMWLUMCCLO-UHFFFAOYSA-N 300.240 2.144 0 50 DEAA C[C@H](Nc1nn2c(=O)ccnc2s1)c1ccc(Cl)cn1 170619618 CDKQUINOONLFSA-ZETCQYMHSA-N 307.766 2.373 0 50 DEAA Cc1cc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)n(C)n1 170617166 JNQJIFJIWVUACC-UHFFFAOYSA-N 310.716 2.098 0 50 DEAA CO[C@H](C)[C@H](C)NC(=O)NC1CCN(c2ccccc2)CC1 188880237 SJIPKZYQIFEDKC-UONOGXRCSA-N 305.422 2.378 0 50 DEAA Cc1ccc(C)c([C@H]2CCCN2C(=O)Cn2nc(C)oc2=O)c1 639962032 GLFTWMAYGQBMMI-OAHLLOKOSA-N 315.373 2.125 0 50 DEAA C[C@]1(c2ccccc2)CC(=O)N(C[C@H](O)CC(F)(F)F)C1=O 189423418 DNNWGZRKQKBNEK-BXUZGUMPSA-N 315.291 2.017 0 50 DEAA CCOc1cc(NC2CCN(C(=O)N(C)C(C)C)CC2)ncn1 190892767 VOKUWXAOLQVLJX-UHFFFAOYSA-N 321.425 2.212 0 50 DEAA COC[C@@]1(C(N)=O)CCCN1Cc1ccc2nc(C)ccc2c1 643764202 QUTPVDWCRVACHC-GOSISDBHSA-N 313.401 2.010 0 50 DEAA Cc1ccc2ncnc(N3CC[C@H](c4cc(O)nc(O)n4)C3)c2c1 585092798 ODAOPMRXZIVQOR-NSHDSACASA-N 323.356 2.133 0 50 DEAA C[C@@]1(C(=O)O)CCCN1Cc1ccc(Cl)cc1-n1cncn1 652480378 CULDEKODMZEYPK-HNNXBMFYSA-N 320.780 2.360 0 50 DEAA NS(=O)(=O)C1(CNCc2ccc3ccccc3c2)CCC1 1616038376 KLYVGDADPVLCAZ-UHFFFAOYSA-N 304.415 2.141 0 50 DEAA CC1=C(C(=O)N2CC(Oc3cccc(Cl)c3)C2)OCCO1 1506401392 ZMHJCAJREIAWPF-UHFFFAOYSA-N 309.749 2.208 0 50 DEAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)cc1 212786618 LSFBMQWGJADIDQ-SJORKVTESA-N 312.413 2.468 0 50 DEAA CSc1nc(N)cc(NCc2n[nH]c3c2CCCCC3)n1 1529153864 WCRDYEPXMWUXNV-UHFFFAOYSA-N 304.423 2.385 0 50 DEAA O=C(CCc1ccsc1)N[C@@H]1COC[C@H]1Cc1ccncc1 1529091659 OVPOJPWPDVPDKT-HZPDHXFCSA-N 316.426 2.450 0 50 DEAA COC(=O)c1n[nH]cc1NC(=O)c1cccc(Br)c1 357210599 ZXLYYMYXZGLYMY-UHFFFAOYSA-N 324.134 2.211 0 50 DEAA Cc1nnsc1CN(C)Cc1ncc(Br)cn1 931863521 HFCXYUWQNYFBPI-UHFFFAOYSA-N 314.212 2.031 0 50 DEAA CCOc1cc2c(cc1CN(CCO)Cc1ncc[nH]1)CCC2 1704336415 HMHOWVNLCMNSQD-UHFFFAOYSA-N 315.417 2.292 0 50 DEAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)CCc1ccsc1 1704353812 SODZMQJJTSOIMU-UHFFFAOYSA-N 320.462 2.303 0 50 DEAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccc(F)c(O)c3)CC2)C1 1704337401 WDQBNKPDGSEAMQ-MRXNPFEDSA-N 323.364 2.068 0 50 DEAA CC1(C)CC(CC(=O)N2CCC[C@H]2C2(O)CC2)CC(C)(C)N1 1772804324 MRBSEHUFGKAENY-AWEZNQCLSA-N 308.466 2.449 0 50 DEAA Cc1cc([C@H]2CCCCCN2S(=O)(=O)N2CCCC2)on1 12159356 PJBINKPSENUXTR-CYBMUJFWSA-N 313.423 2.241 0 50 DEAA O=C1CC[C@@H](C(=O)N2CCCO2)CN1CCCc1ccccc1 12455686 YOZSOYOQDROOGI-MRXNPFEDSA-N 316.401 2.022 0 50 DEAA O=C(Nc1ccnn1C1CCN(C2CCC2)CC1)[C@H]1CCOC1 15079009 OHSLZRZLXBJRDI-ZDUSSCGKSA-N 318.421 2.048 0 50 DEAA Cc1ccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CN(C3CC3)CCO2)s1 225433168 ZCDLJILGRRAACM-RRFJBIMHSA-N 320.458 2.139 0 50 DEAA CCCn1nc(C)c(C(=O)NCc2cc(C(=O)O)c(C)o2)c1C 225550843 ZKLUJHUPVPCSPN-UHFFFAOYSA-N 319.361 2.440 0 50 DEAA FC(F)(F)Cc1noc(CN2CCC(c3ncc[nH]3)CC2)n1 331885252 GWBSUGWHTHLJBD-UHFFFAOYSA-N 315.299 2.277 0 50 DEAA CCOC(=O)C1=C(NCc2ccc(OC)cc2)CCOCC1 642882524 HKDQGPQABFHGBK-UHFFFAOYSA-N 305.374 2.412 0 50 DEAA O=C(O)c1ccc(Cl)c(CN2CCC[C@H](n3cncn3)C2)c1 652409947 FHFSLXXVAQHXML-ZDUSSCGKSA-N 320.780 2.467 0 50 DEAA CCN1CCC[C@H](NC(=O)Nc2cnc3c(c2)CCCC3)C1=O 930768911 QTXQWKZIOLVRLD-HNNXBMFYSA-N 316.405 2.093 0 50 DEAA Cc1ccc(C(=O)N2CCO[C@@H](c3ncon3)C2)c2ncccc12 935328964 FQFKHBGIIPUMAZ-CQSZACIVSA-N 324.340 2.140 0 50 DEAA CO[C@@H]1CCC[C@H]1NC(=O)NC(C)(C)CC(=O)OC(C)(C)C 1875275232 HEUGIEJKNLZAIT-VXGBXAGGSA-N 314.426 2.364 0 50 DEAA Cn1nc(C(=O)N2CCC(O)(C3CCC3)CC2)c2c1CCCC2 884975452 MZIRLNCCGVFRHT-UHFFFAOYSA-N 317.433 2.066 0 50 DEAA COc1ccccc1C1(c2noc([C@H]3OCC[C@H]3CN)n2)CC1 888078314 IWJCZSSZIHMGEZ-FZMZJTMJSA-N 315.373 2.194 0 50 DEAA CC1=NNC(=O)[C@H]1CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 888100252 YTHSPHMDOLLLRK-OAGGEKHMSA-N 313.401 2.199 0 50 DEAA C[C@H](CC(=O)N1CC(C)(N2CCOCC2)C1)c1ccc(F)cc1 1775992408 SAFLGMUBTPERJW-CQSZACIVSA-N 320.408 2.252 0 50 DEAA COc1cccc([C@H](CN)NC(=O)c2ccc3c(c2)CCN3)c1 2325792375 XOQNTXRALVJRBE-KRWDZBQOSA-N 311.385 2.093 0 50 DEAA COc1cc2c(-c3ccc4c(c3)n(C)c(=O)n4C)cn(C)c2cn1 2325862644 BASYMTGVNYSGNS-UHFFFAOYSA-N 322.368 2.439 0 50 DEAA O=C(N[C@]1(CCO)CCOC1)c1ccc(C(F)F)c(F)c1 935681779 SYRABUDDUAQWRL-CQSZACIVSA-N 303.280 2.035 0 50 DEAA COC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCC2 433638 OFGAHJNMSKPAHS-UHFFFAOYSA-N 317.370 2.456 0 50 DEAA S=C(NCc1ccc(-n2cccn2)cc1)NC[C@H]1CCCO1 2778399 FCNOBOOBOKNBIW-OAHLLOKOSA-N 316.430 2.015 0 50 DEAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)c(C)c1 3865031 CVPVJQPGFMVOBQ-CYBMUJFWSA-N 311.403 2.097 0 50 DEAA C[C@@H]1CCC[C@H](C(=O)O[C@H](C)C(=O)NCc2ccccn2)C1 225856598 ROVOKUVCYYJKGH-MCIONIFRSA-N 304.390 2.456 0 50 DEAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCN(CCO)CC1 22455256 GIDLZVYGGALBFA-ZDUSSCGKSA-N 316.367 2.246 0 50 DEAA C[C@H](N)C(=O)NCc1cccnc1Oc1ccc(F)cc1F 67805366 UJKUHMOJMZFIAO-VIFPVBQESA-N 307.300 2.116 0 50 DEAA CC(C)Cc1noc(CN(C)[C@@H](C)C(=O)Nc2nccs2)n1 65461978 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Cc1csc2c(=O)n(C[C@H](CO)Cc3ccco3)cnc12 584900813 KNAMGRBPFGCQIA-LLVKDONJSA-N 304.371 2.211 0 50 DEAA Cc1cc2cc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@H]3N(C)C)ccc2o1 1074572177 HEIPOTOMAYWEFG-ORQFMDKSSA-N 314.385 2.189 0 50 DEAA c1ccc2c(N3CCN(C[C@@H]4CCCOC4)CC3)ncnc2c1 670438629 OYKITGAXQQIPLZ-HNNXBMFYSA-N 312.417 2.178 0 50 DEAA O=C(CCc1nn[nH]n1)N1CCC[C@H]1c1ccccc1Cl 630784475 INVSMJGNMBPHIN-LBPRGKRZSA-N 305.769 2.149 0 50 DEAA O=C(Cc1cc(F)c(F)cc1F)N1CCCC2(C1)OCCO2 170591013 NKLNULDREUBPPZ-UHFFFAOYSA-N 315.291 2.012 0 50 DEAA COc1ccc(NC(=O)CN2C[C@H](C3CC3)O[C@H](C)C2)cc1 279435416 YDFQIQLNUBMATK-MLGOLLRUSA-N 304.390 2.133 0 50 DEAA Cn1nc(C(=O)N2CC(C)(C)OC(C)(C)C2)cc1OC(F)F 188990467 WRZCWLLEPRPORZ-UHFFFAOYSA-N 317.336 2.051 0 50 DEAA CCCOc1ccc(CNC(=O)c2ccc(=O)n(C)c2)c(C)c1 189443981 WAGDRDBZCYKKGB-UHFFFAOYSA-N 314.385 2.413 0 50 DEAA CC[C@]1(C)CN(C(=O)NC[C@@H](C)Cn2ccnc2C)CCO1 190436014 NVAWVZCGHQRMDK-CZUORRHYSA-N 308.426 2.038 0 50 DEAA CCC1(CC)CN(C(=O)C2(NC(N)=O)CC2)c2ccccc21 678075122 QWTXVJIEPADGHM-UHFFFAOYSA-N 301.390 2.292 0 50 DEAA Cc1cccc2nc(CCNC(=O)CCc3ccncc3)cn12 585089933 VLVYUCYNWQFRLM-UHFFFAOYSA-N 308.385 2.329 0 50 DEAA O=C(NC[C@@H]1CCCOC1)c1cncn1-c1ccc(F)cc1 193659357 UGMUDWZCMDRVSR-LBPRGKRZSA-N 303.337 2.168 0 50 DEAA CCCc1nnc(N2CCC[C@H]2C(=O)NCc2ccco2)s1 195574388 CPBDJMYKGBHGLB-LBPRGKRZSA-N 320.418 2.369 0 50 DEAA CC[C@H]1CC[C@@H](C)N(C(=O)c2cccc(S(=O)(=O)NC)c2)C1 1614425721 GRKSJAMKXNKNAS-OLZOCXBDSA-N 324.446 2.245 0 50 DEAA COc1ccc(CN2CCN3[C@H](COC[C@H]3C3CC3)C2)c(F)c1 1615733556 IHOZSDOYTGEIBR-YJBOKZPZSA-N 320.408 2.129 0 50 DEAA Nc1nc(Cl)c(N)c(NCCc2cc3ccccc3[nH]2)n1 1642468403 HENFUSSTUSPUBV-UHFFFAOYSA-N 302.769 2.430 0 50 DEAA CCN1CC[C@H](CN2CCN(CCc3ccccc3)CC2)C1 1506399781 IQVRFQBIBWCRJQ-IBGZPJMESA-N 301.478 2.189 0 50 DEAA COCc1nnc(NC(=O)/C=C/c2ccc(OC)cc2)s1 465625 ZDBDAHUKXKRYCL-VMPITWQZSA-N 305.359 2.345 0 50 DEAA COC(=O)c1ccc(NC(=O)C(C)(C)Br)c(O)c1 1772715487 YDHCWLAVPRGFIT-UHFFFAOYSA-N 316.151 2.291 0 50 DEAA CC1(C)Cc2c(sc3nc(N4N=N4)nc(NCCO)c23)CO1 5425635 JGKJWRKJELBFCY-UHFFFAOYSA-N 320.378 2.049 0 50 DEAA Cn1ccnc1CN1CCC[C@H](CCC(=O)N2CCCC2)C1 12305767 FSEXOUILWCNUPA-OAHLLOKOSA-N 304.438 2.035 0 50 DEAA Cc1cccc(CN[C@@H]2CC(=O)N(CCc3ccccc3)C2)n1 12440434 RTHFGFJVJCAKTB-GOSISDBHSA-N 309.413 2.323 0 50 DEAA Cc1ccc(-c2nnc(CS[C@H]3CCS(=O)(=O)C3)o2)o1 12462516 HGSFKRQBAVZTIE-VIFPVBQESA-N 314.388 2.058 0 50 DEAA CCOc1cc(Cl)c(/C=C2/NC(=O)NC2=O)cc1OCC 15224784 JIADKIGOGCWLQQ-BJMVGYQFSA-N 310.737 2.318 0 50 DEAA CSc1ccc(C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 19112430 BOIBMPNJJJBEKT-GFCCVEGCSA-N 313.444 2.263 0 50 DEAA C[C@H]1CN(C(=O)c2csc3ccccc23)C[C@@H](C)N1CCO 408520468 GVOOFABGBHRXAG-BETUJISGSA-N 318.442 2.428 0 50 DEAA Cc1nnc([C@H]2CN(C(=O)c3[nH]ccc3C3CC3)C[C@@H](C)O2)o1 619282990 RRUIAMNQAUQULU-NOZJJQNGSA-N 316.361 2.186 0 50 DEAA COc1cccc(N2C[C@H](NC(=O)C3CCCCC3)CC2=O)c1 4497089 RIHHFQFNIQBUDM-CQSZACIVSA-N 316.401 2.497 0 50 DEAA C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@H]1C(=O)O 237594618 XPVVSAHMNKEQCD-FZMZJTMJSA-N 324.808 2.408 0 50 DEAA COc1cccc(OC)c1CNC1CCN([C@@H]2CCOC2)CC1 585093581 DMDYFVIRJGVROR-OAHLLOKOSA-N 320.433 2.047 0 50 DEAA CCOC(=O)[C@H](NC(=O)c1ccn(C)n1)C1CCCCCC1 594190548 ANHHHROSTSEURQ-CQSZACIVSA-N 307.394 2.052 0 50 DEAA CC[C@H](C(=O)O)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 908773016 VGCRRECQNKOHHB-ZDUSSCGKSA-N 320.320 2.250 0 50 DEAA Cc1[nH]nc2c1CCCN2Cc1nc(CC(F)(F)F)no1 934314634 ZJBDWPHWOXRRSI-UHFFFAOYSA-N 301.272 2.159 0 50 DEAA Cc1nc2ncnn2c(N2CCN(C3CCCC3)[C@@H](C)C2)c1C 952994701 UCNZMUYYPCGXED-LBPRGKRZSA-N 314.437 2.194 0 50 DEAA Cn1cncc1C1CCN(C(=O)NC[C@@H]2CCC(C)(C)O2)CC1 1875277143 LVZUOANCUYXNAT-AWEZNQCLSA-N 320.437 2.267 0 50 DEAA Cc1ccc([C@@H](C)C(=O)NS(=O)(=O)[C@H](C)c2ccccn2)o1 1875285689 WJCYNRIXLABYEU-VXGBXAGGSA-N 322.386 2.294 0 50 DEAA CCN(C(=O)c1sncc1Br)c1cnn(C)c1 1875392751 ROIIVIPLBYRUJO-UHFFFAOYSA-N 315.196 2.306 0 50 DEAA O=C1CCN1c1cccc(Nc2ncnc3c2nnn3C2CC2)c1 1875367525 KXEMAQPRUJBJDC-UHFFFAOYSA-N 321.344 2.037 0 50 DEAA COC1(CC(=O)N2CCc3cc(F)c(C(=O)O)cc3C2)CCC1 1775999684 WGAWGZDGBUFXAO-UHFFFAOYSA-N 321.348 2.368 0 50 DEAA Cc1nccn1CCCC(=O)N[C@@]1(CO)CC2CCC1CC2 1775993170 CADVWGOBNMCQMS-VMBOVVBDSA-N 305.422 2.029 0 50 DEAA COc1cc2c(cc1OC)N(C(=O)C[C@@H]1C[C@@H](N)C1(C)C)CC2 2325799649 NCRIBFACRDZZPH-BLLLJJGKSA-N 318.417 2.356 0 50 DEAA COc1cccc(C2=CCN([C@H](C[C@H](C)O)C(=O)O)CC2)c1 2325803355 BPQMSXRIVHAUQL-BLLLJJGKSA-N 305.374 2.008 0 50 DEAA OC[C@H]1CCCN1CCc1cn(-c2cccc3ccccc23)nn1 2325816629 LTPWWCVAFSHKLY-QGZVFWFLSA-N 322.412 2.420 0 50 DEAA COC(=O)c1ccc(Oc2nc(SC)nc(N(C)C)n2)cc1 107359 SQDUHNNBULODLI-UHFFFAOYSA-N 320.374 2.238 0 50 DEAA COc1ccc([C@H]2SCC(=O)N2CCCN(C)C)cc1OC 122889 RDQTVBHSBQKXSB-MRXNPFEDSA-N 324.446 2.230 0 50 DEAA COc1ccc(Nc2nc(N)nc(CN3CCCCC3)n2)cc1 1245916 PVHJDJWPRZUURH-UHFFFAOYSA-N 314.393 2.192 0 50 DEAA in-vitro OC[C@]1(Cc2ccccc2)CN(C2CCSCC2)CC[C@H]1O 2356139282 OUEFBUUHXPYYSJ-MSOLQXFVSA-N 321.486 2.170 0 50 DEAA Cc1coc(C)c1C(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 412581518 BXRPZFVMSUBDML-SFHVURJKSA-N 312.369 2.166 0 50 DEAA COc1ccccc1OC1CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 102467578 ALTKXUNSTHIZBX-ZSHCYNCHSA-N 302.418 2.004 0 50 DEAA CS[C@@H](C(=O)N1CSC[C@@H]1C(=O)N(C)C)c1ccccc1 415152107 BIKXALCTBZJHDG-CHWSQXEVSA-N 324.471 2.080 0 50 DEAA CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCCC1 29134970 DAZSWUUAFHBCGE-KRWDZBQOSA-N 302.418 2.382 0 50 DEAA in-vitro COc1ccc(CCC(=O)NC[C@@H]2CCCN(C(C)=O)C2)cc1 20455720 GPOXIQLOHIJFKH-INIZCTEOSA-N 318.417 2.003 0 50 DEAA O=C(O)c1ccccc1NS(=O)(=O)CCc1cccs1 357076724 PHNZOUKBGRCKDH-UHFFFAOYSA-N 311.384 2.431 0 50 DEAA O=C(Cc1c[nH]c2ncccc12)NCc1cc(Cl)ccn1 355881978 RCYZMPNFWYKETI-UHFFFAOYSA-N 300.749 2.470 0 50 DEAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1cccc2[nH]ncc12 328621629 HXPYSAQMCCUJOG-GFCCVEGCSA-N 309.373 2.094 0 50 DEAA COC(=O)[C@@H]1C[C@H](O)[C@@H](N2CCC(=Cc3ccccc3)CC2)C1 229859335 NDMKNCINCILARU-BZSNNMDCSA-N 315.413 2.478 0 50 DEAA Cc1nc([C@@H](C)N(C)CCCS(=O)(=O)N(C)C)c(C)s1 77454517 OQFWYCWNNXKSRG-SNVBAGLBSA-N 319.496 2.034 0 50 DEAA COc1cc(CN2CCN3CCC[C@@H]3[C@H]2C)cc2c1OCO2 39408749 GSPDPXFEAVMOBG-TZMCWYRMSA-N 304.390 2.092 0 50 DEAA NC(=O)c1noc(CN2CCCC[C@H]2c2ccc(F)cc2)n1 72164305 LLXLBAKQPRUMKE-LBPRGKRZSA-N 304.325 2.035 0 50 DEAA Cc1ccc(Cl)cc1C(=O)N1CCOC[C@H](CN(C)C)C1 219563810 GRUIHPZZMQTYBK-CYBMUJFWSA-N 310.825 2.299 0 50 DEAA CCc1nccc(CN2CCC([C@H](O)c3ccccn3)CC2)n1 216541081 DPCXDCUTTYKYHG-SFHVURJKSA-N 312.417 2.380 0 50 DEAA O=S1(=O)CC[C@]2(CCCN(c3ccnc4ccncc34)C2)C1 333662578 HGCRKKRHOGEMBI-INIZCTEOSA-N 317.414 2.035 0 50 DEAA O=C(NCc1cnc2cnccn12)[C@H]1CCc2ccccc2C1 219963926 PPXKCKXKFJUCCB-HNNXBMFYSA-N 306.369 2.151 0 50 DEAA O=C(NCC[C@H]1CC1(F)F)Nc1cn(Cc2ccccc2)nn1 606444966 RHHMYNKDIVAFBG-LBPRGKRZSA-N 321.331 2.493 0 50 DEAA C[C@@H]1CN(C(=O)C2CCC(O)CC2)CCN1c1ccccc1F 241316944 LWHCQURTFFCVBY-WLYUNCDWSA-N 320.408 2.414 0 50 DEAA CC(C)c1nc2n(n1)CCC[C@@H]2Nc1ncnc(N)c1Cl 225481176 IYZWCOPIAYJOKA-QMMMGPOBSA-N 307.789 2.374 0 50 DEAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1nccc2ccccc12 285457336 LGJKWODXDWSERT-YOEHRIQHSA-N 322.368 2.228 0 50 DEAA O=C(O)[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)c2ccccc21 177479415 KEPHYJSMALTUHV-KGLIPLIRSA-N 309.321 2.378 0 50 DEAA O=C(O)[C@H]1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)C1 178261999 RBYDIKBOLSNPAT-ZDUSSCGKSA-N 312.325 2.421 0 50 DEAA CSc1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cc1 97632132 VMQQQGSBTMKBAC-UHFFFAOYSA-N 315.446 2.200 0 50 DEAA COc1ncccc1NC(=O)N(C)CCc1c(C)n[nH]c1C 96153424 FADPNLVQKVOSGH-UHFFFAOYSA-N 303.366 2.137 0 50 DEAA NC[C@H]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)C1 178527411 OMHXKVSUFGXONM-LLVKDONJSA-N 319.792 2.074 0 50 DEAA NC[C@H]1CCN(C(=O)/C=C/c2csc(Br)c2)C1 178543858 FHZYIFJEGTWBQT-TXXBHVLJSA-N 315.236 2.331 0 50 DEAA Cc1nc(NCCCc2c(C)noc2C)cc([C@H]2CCOC2)n1 426526719 AFPJAVBXUVTZDE-AWEZNQCLSA-N 316.405 2.938 0 50 DEAA CCc1nnc(N2CCN(c3ccc(C(C)=O)cc3)CC2)o1 91468527 SAEKXQYKWXMJGU-UHFFFAOYSA-N 300.362 2.161 0 50 DEAA CC[C@@H](NC(=O)CCN1Cc2ccccc2C1)[C@H]1C[C@H](O)C1 244873261 WMUZVTODGXTAPA-BRWVUGGUSA-N 302.418 2.058 0 50 DEAA c1ccc(-c2noc([C@@H]3CCCN(CCn4cncn4)C3)n2)cc1 244853025 VDWZCEXFEJRFKV-OAHLLOKOSA-N 324.388 2.208 0 50 DEAA O=C(CCc1cnccn1)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244872788 WEIMXDNKZWVDDT-PVXIVEMSSA-N 317.414 2.099 0 50 DEAA CC(C)(C)C[C@@H](NC(=O)CN1CCCC1=O)c1cccnc1 534658203 SQHXFVRIIVLAPV-CQSZACIVSA-N 303.406 2.298 0 50 DEAA CCN(C)C(C)(C)CNC(=O)N[C@@H](C)[C@H](O)c1ccccc1 534577277 KODQGCODAWDMAW-ZFWWWQNUSA-N 307.438 2.138 0 50 DEAA O=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCCO1 299761514 TWXGWRASZCQRQT-MRXNPFEDSA-N 316.401 2.108 0 50 DEAA Cc1nc(CNC(=O)CSc2nnc(C)s2)cs1 670449166 CXUQSWGZQFXLTN-UHFFFAOYSA-N 300.434 2.020 0 50 DEAA NC1(C(=O)Nc2ccccc2OC[C@H]2CCCO2)CCCC1 952986988 DDAGFHNEVGKWQB-CYBMUJFWSA-N 304.390 2.454 0 50 DEAA COCCC1(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](N)C2)CC1 408520140 MMTAYCZHQSEFIS-HOTGVXAUSA-N 320.408 2.286 0 50 DEAA N[C@@H]1CC[C@H](C(=O)N2CCO[C@H](c3ccccc3Cl)C2)C1 269209283 BKSWMVZLQHKEOY-ZOWXZIJZSA-N 308.809 2.367 0 50 DEAA 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2.286 0 50 DEAA O=C(NCCCCO)c1nccnc1SCc1ccccc1 585122001 JQEQXYCFNXAMCS-UHFFFAOYSA-N 317.414 2.271 0 50 DEAA O=C1CS(=O)(=O)N(Cc2cc(C3CC3)no2)c2ccccc21 902661687 QDDYVWCMFFQKEF-UHFFFAOYSA-N 318.354 2.085 0 50 DEAA CC(C)N1CCC[C@H]1C(=O)Nc1cccc(-n2ccnc2O)c1 930320609 ZTEBJLNVYVOHSJ-HNNXBMFYSA-N 314.389 2.389 0 50 DEAA CC(C)(C)n1cnc(C(=O)Nc2cccc(CCC(=O)O)c2)n1 844155886 ZILUDXRWIHNJHA-UHFFFAOYSA-N 316.361 2.303 0 50 DEAA CCCCn1nc(-c2nc[nH]n2)nc1[C@@H]1CCCc2n[nH]cc21 1875335768 GJJFXEAHQUIQSY-SNVBAGLBSA-N 312.381 2.055 0 50 DEAA Cn1cc(C[N@@]2C[C@H]2COc2cnc3ccc(F)cc3c2)cn1 1875379479 RGHFCMWLIHZSJJ-NYHFZMIOSA-N 312.348 2.371 0 50 DEAA Cc1nccnc1CNC(=O)c1sc(C(F)(F)F)nc1C 1875312744 SJPQRQZISDJJIA-UHFFFAOYSA-N 316.308 2.499 0 50 DEAA CCn1cc(-c2n[nH]cc2C(=O)N2CCCC[C@H](F)C2)cn1 1776002547 SNXNSUHEOCOFHL-LBPRGKRZSA-N 305.357 2.257 0 50 DEAA O=S1(=O)CC[C@@H](NCc2ccc(Cl)c3cccnc23)C1 130156682 QHAHSRMOHPHPHU-LLVKDONJSA-N 310.806 2.165 0 50 DEAA CCc1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1 44227 MNUAXBGRHKXLFB-UHFFFAOYSA-N 309.321 2.451 0 50 DEAA C[C@H](NC(=O)Nc1cnn(Cc2ccccc2)c1)[C@H]1CCOC1 341235150 KXPWBZTYFZBDNM-ZFWWWQNUSA-N 314.389 2.478 0 50 DEAA C[C@H](NC(=O)Nc1cnn(Cc2ccccc2)c1)[C@@H]1CCOC1 341235144 KXPWBZTYFZBDNM-DZGCQCFKSA-N 314.389 2.478 0 50 DEAA C[C@H](O)CNCCOc1ccc(Br)cc1Cl 4833577 PYXZJKQJGPKKMC-QMMMGPOBSA-N 308.603 2.452 0 50 DEAA CS(=O)(=O)Nc1ccccc1C(=O)N1CCc2ccccc21 10112419 ZBMIVGFUARJOEP-UHFFFAOYSA-N 316.382 2.261 0 50 DEAA CO[C@@]1(C)CCCN(C(=O)Cn2ncc3ccccc32)CC1 280082401 SMGPSORPAJLMLC-KRWDZBQOSA-N 301.390 2.454 0 50 DEAA Cc1cc(CN2CC[C@@H](CN3CCOCC3)C2)cc(Cl)n1 225605603 UZLMZJCZYGQTEW-AWEZNQCLSA-N 309.841 2.198 0 50 DEAA Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1ccc2c(c1)nnn2C 65410692 SMFLQADFNYTKMD-LLVKDONJSA-N 308.341 2.456 0 50 DEAA CCCn1nc(C(=O)O)c2c1CC[C@H](NCc1ccoc1)C2 67726988 GQSVDADPEYNQLP-LBPRGKRZSA-N 303.362 2.231 0 50 DEAA Cc1oncc1NS(=O)(=O)c1ccc(C(=O)O)cc1Cl 350301352 NQLFCARVNULPMC-UHFFFAOYSA-N 316.722 2.135 0 50 DEAA CCCCN1CC[C@@H](CNC(=O)c2nn(C)c3c2CCCC3)C1 67675411 ZTRVWXZYJBBLDA-AWEZNQCLSA-N 318.465 2.151 0 50 DEAA COc1cc([C@H]2CC(=O)Nc3c2nc2n3CCCC2)ccc1O 67894902 BDVUIYISQMEMAR-LLVKDONJSA-N 313.357 2.408 0 50 DEAA CC(C)c1noc(CCCC(=O)N[C@@H]2CCN3CCCC[C@@H]23)n1 229386430 RROLNZVIBPUCJG-KGLIPLIRSA-N 320.437 2.259 0 50 DEAA c1cnc(NCc2ccc3c(c2)CCO3)c(N2CCOCC2)c1 364532493 OYFMXTZKZUEPNM-UHFFFAOYSA-N 311.385 2.465 0 50 DEAA c1cc([C@H]2CCCO2)sc1CN1CC(N2CCOCC2)C1 216466904 RVSKDCKRPZPEFK-OAHLLOKOSA-N 308.447 2.116 0 50 DEAA CC1(C)COCCN1CCNc1nc2ccccc2cc1CO 172371137 KHNLZZHUHFQGGM-UHFFFAOYSA-N 315.417 2.250 0 50 DEAA Cc1ccc(OCCCCNCCN)c(Br)c1 39960866 BFZGIFBYHVVFNP-UHFFFAOYSA-N 301.228 2.465 0 50 DEAA Cc1cc(C2CCC2)nc(N(C)CC2(CO)CCOCC2)n1 71681757 CIJHBDYRJSNRSN-UHFFFAOYSA-N 305.422 2.278 0 50 DEAA COCCN1C[C@H](Cc2ccc(C(F)(F)F)cn2)CC1=O 219452391 NYAGHAATALZPRM-SNVBAGLBSA-N 302.296 2.138 0 50 DEAA O[C@@H]1CCc2cnn(Cc3nc(C(F)(F)F)cs3)c2C1 331587599 MUALOTRWOBXNAE-MRVPVSSYSA-N 303.309 2.256 0 50 DEAA COc1cc(CN2CC[C@H](c3nccn3C)C2)cc2c1OCO2 368133696 JZAICQBEGRGOEQ-ZDUSSCGKSA-N 315.373 2.147 0 50 DEAA CN(C)C[C@@]1(O)CCCN(Cc2c(Cl)cncc2Cl)C1 72479964 ZRAWOLOUKIZGAL-AWEZNQCLSA-N 318.248 2.277 0 50 DEAA CC1(C)C(C(=O)N[C@H]2CCCc3c2cnn3CCO)C1(C)C 369911789 BUZAWQRCMSTMIJ-LBPRGKRZSA-N 305.422 2.051 0 50 DEAA OC[C@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 157432320 UHRPIHLCGKFQPH-JKSUJKDBSA-N 324.424 2.470 0 50 DEAA C[C@@]1(C(=O)O)CCCCN1C(=O)c1nc2ccc(F)cc2[nH]1 217768111 XPEHJQZUSUDUIC-HNNXBMFYSA-N 305.309 2.171 0 50 DEAA O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2ncc[nH]2)C1 75553004 GMGAFEOGHGLLSU-CYBMUJFWSA-N 313.357 2.201 0 50 DEAA Cc1cscc1CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 376521197 YXWFBXKIATWABZ-ZIAGYGMSSA-N 310.419 2.146 0 50 DEAA O=C(Cn1cccn1)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 14961860 NGURGWSGLCJUBA-ZDUSSCGKSA-N 320.343 2.264 0 50 DEAA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)[C@@]2(C)CCNC2)C1 237683283 BVUBXWNVUIDBEQ-RYRKJORJSA-N 307.482 2.099 0 50 DEAA C[C@@H](c1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1)C(F)(F)F 454415538 SSVDKYGHEKDRGQ-CABZTGNLSA-N 314.307 2.442 0 50 DEAA CC(C)n1cnc(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c1 242183865 XCPGLJHABUULBH-IUODEOHRSA-N 309.435 2.249 0 50 DEAA Cn1cncc1[C@H]1C[C@H](NC(=O)COC2CCCCC2)CCO1 338228654 LDTBMKAMTYAOSH-CZUORRHYSA-N 321.421 2.106 0 50 DEAA O=C(Cc1ccc(C(=O)O)cc1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 263317384 IATZFFNZEGDTBF-RYQLBKOJSA-N 307.349 2.382 0 50 DEAA COCCOc1ccc(-c2c(N3CCCC3)cnnc2O)cc1 426380171 UMWKESBLTJHCLW-UHFFFAOYSA-N 315.373 2.475 0 50 DEAA Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@@](C)(O)C3)c2C)no1 177973887 RGXIQZJOTGRPTA-QGZVFWFLSA-N 317.389 2.030 0 50 DEAA O=C(c1cc(C2CC2)no1)N1CCC[C@](O)(C(F)(F)F)CC1 287934266 RBUURHXUDBFZKY-CYBMUJFWSA-N 318.295 2.472 0 50 DEAA COc1ccnc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)c1 426478128 QAOBTYZDPSQVPE-ZDUSSCGKSA-N 303.406 2.085 0 50 DEAA CCCN1CCC(CC(=O)NCCn2cc(Cl)cn2)CC1 95379322 DZQCWWNUDHXICA-UHFFFAOYSA-N 312.845 2.165 0 50 DEAA CN(C(=O)Nc1cccc(-c2ncn(C)n2)c1)[C@H]1CCSC1 161602862 KNBZTQLYPNNXML-ZDUSSCGKSA-N 317.418 2.451 0 50 DEAA Cc1nn(C(F)F)cc1-c1ccc([C@@H]2NC(=O)NC2=O)cc1 96167040 PHAURUDXMZOYBW-NSHDSACASA-N 306.272 2.134 0 50 DEAA CC1(C)CN(C(=O)c2cc(C(F)(F)F)n[nH]2)CC[C@]1(C)O 91657166 ZFVWBKFOSQHZOZ-LBPRGKRZSA-N 305.300 2.052 0 50 DEAA CCC1=NO[C@H](CNC(=O)Nc2cc3c(cc2OC)OCO3)C1 96164875 YUIWUBIUZZECAE-JTQLQIEISA-N 321.333 2.100 0 50 DEAA CN1CCN(C)[C@H](CC(=O)NCc2ccc3sccc3c2)C1 97499550 CBFPYLVUPNFGOP-OAHLLOKOSA-N 317.458 2.153 0 50 DEAA Cc1cccn2c(CC(=O)N3CCC[C@@]4(CCOC4)C3)cnc12 92064822 CTEDYUMQAYWZAB-GOSISDBHSA-N 313.401 2.214 0 50 DEAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2c(c1)CCO2 299740608 ANDOUYQGWXFIGD-UGFHNGPFSA-N 315.369 2.479 0 50 DEAA COc1ccccc1C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)O 299741775 FZRDUCGFHHDYPJ-QLFBSQMISA-N 317.385 2.101 0 50 DEAA Cc1nccn1CC(=O)NC1(c2noc(C3CC3)n2)CCCC1 297734084 ZQGOLSZNOUOVCA-UHFFFAOYSA-N 315.377 2.038 0 50 DEAA Cc1cccnc1CCNC(=O)N1CC[C@H](N2CCCCC2)C1 296922179 ZFPJNFLSWIXHKJ-INIZCTEOSA-N 316.449 2.202 0 50 DEAA COCCOc1ccccc1NC(=O)N(C)CC1(CO)CCC1 299757926 DLDKEUHCGKFRIT-UHFFFAOYSA-N 322.405 2.338 0 50 DEAA CN(C)C(=O)c1cccc(CNC(=O)C(C)(C)n2cccc2)c1 584903357 LFLFXYQZDGXLKJ-UHFFFAOYSA-N 313.401 2.241 0 50 DEAA CN(CCS(C)(=O)=O)CC1(N2CCCCC2)CCCCC1 670471853 QRGBFTKDLKOBKH-UHFFFAOYSA-N 316.511 2.152 0 50 DEAA Cc1cc(F)cc(NC(=O)NCCCN2CCCN(C)CC2)c1 685943252 IGPPTBJTWJQRJJ-UHFFFAOYSA-N 322.428 2.283 0 50 DEAA COc1ccc(NC(=O)C(C)C)c(NC(=O)[C@H]2CCOC2)c1 952968950 OMYUMPGQVFOPIB-NSHDSACASA-N 306.362 2.265 0 50 DEAA CNC(=O)c1ccc(NC(=O)CN2CCCCCC2)c(C)c1 952863631 VATZWPUMAOYQHE-UHFFFAOYSA-N 303.406 2.169 0 50 DEAA O=C(CC1(n2cccc2)CCSCC1)NC[C@@H]1CCCO1 888103987 QZMYALGUDFMNIL-AWEZNQCLSA-N 308.447 2.396 0 50 DEAA Cc1cc(CC(=O)Nc2ccc3nc([C@H](C)O)[nH]c3c2)on1 952979758 FQGJFDSSWPAZDD-VIFPVBQESA-N 300.318 2.094 0 50 DEAA COC(=O)c1ccc(NCc2cnn(-c3ccccc3)c2)nn1 301096686 RIIJXSPCTXECIZ-UHFFFAOYSA-N 309.329 2.061 0 50 DEAA CCCc1nc(CN(C)Cc2ccc(OCC(=O)O)cc2)no1 580720558 LIQUBSOPLSFIBU-UHFFFAOYSA-N 319.361 2.118 0 50 DEAA CN(C)C(=O)C[C@]1(O)CCCN(CC/C=C/c2ccccc2)C1 643814219 QHYIWPJBOSZRHQ-SSGOSMAHSA-N 316.445 2.395 0 50 DEAA CCOC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 192075439 DYZMRWBMWJNTEP-GXTWGEPZSA-N 301.745 2.462 0 50 DEAA CCS(=O)(=O)N1CCCN(c2ccccc2Cl)CC1 583651224 HLDUDYQMQCDDLV-UHFFFAOYSA-N 302.827 2.202 0 50 DEAA CCCCn1ncc(NC(=O)[C@H]2CCCN2C(=O)C2CC2)c1C 585085553 WGAPJYGNAUECAD-OAHLLOKOSA-N 318.421 2.331 0 50 DEAA CCc1nc(CNC(=O)c2ccn(CC(F)F)n2)cs1 194065056 DHXCCDGGWYEMPV-UHFFFAOYSA-N 300.334 2.097 0 50 DEAA Cn1ccc(-c2noc([C@@H]3CNCC34CCCCC4)n2)cc1=O 1615057178 FFVGWCZHVPJTLH-ZDUSSCGKSA-N 314.389 2.073 0 50 DEAA COCCNc1nc(CC(=O)N2CCC[C@@H](C)[C@H]2C)cs1 1616040569 OKJRCMRIXZDDNH-VXGBXAGGSA-N 311.451 2.391 0 50 DEAA CC(C)(COCc1ccccc1)C(=O)NCc1ccc[n+]([O-])c1 1615586018 KWJWSHAJAKSVFY-UHFFFAOYSA-N 314.385 2.179 0 50 DEAA COc1cc(CNCc2ccco2)cc(Cl)c1OCC(N)=O 5019462 VVRHOZBQGQCKEX-UHFFFAOYSA-N 324.764 2.096 0 50 DEAA CC(=O)NCC(=O)N1CCC[C@@H](CCc2ccccc2F)C1 11840117 JPZBFDWPNCXNCS-AWEZNQCLSA-N 306.381 2.133 0 50 DEAA O[C@H](COc1ccccc1CN1CCCO1)CN1CCCCC1 12058596 VNKKOQDSGGTUBN-KRWDZBQOSA-N 320.433 2.050 0 50 DEAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(CCO)C1 12075586 RTPQLNSIQOZCPZ-GOSISDBHSA-N 321.417 2.093 0 50 DEAA CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)OC)c1 12406100 MHSMNVQBXRPZPL-NSHDSACASA-N 306.362 2.107 0 50 DEAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 13745598 KNUVDIQNLOZXRM-NSHDSACASA-N 312.391 2.286 0 50 DEAA CCCCN1C(=O)CC[C@@H]2CN(C3CCN(C)CC3)CC[C@@H]21 14966135 ASMBCAOHGBHCHB-WBVHZDCISA-N 307.482 2.194 0 50 DEAA Cc1noc(C)c1CC(=O)N1CCN(c2ccc(F)cc2)CC1 7282833 LJKNLKWUSDWZDQ-UHFFFAOYSA-N 317.364 2.322 0 50 DEAA O=C(CNc1cccnc1)N[C@@H](Cn1cccn1)c1ccccc1 1857681293 HRTSMWPRTZAXBC-KRWDZBQOSA-N 321.384 2.248 0 50 DEAA Cc1noc(C)c1CCC(=O)N[C@H]1CCCc2c1c(C)nn2C 1857686584 CNGFQCMAQQFSNR-AWEZNQCLSA-N 316.405 2.460 0 50 DEAA O=C(O)Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)n1 122840302 RBNISVUMTHHPKS-WDEREUQCSA-N 319.748 2.363 0 50 DEAA C[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)c(F)c2)[C@H]1CN 237651421 VRWRFIULLQYXCD-LRDDRELGSA-N 316.380 2.211 0 50 DEAA Cc1nc2scc(C3CC3)n2c1CNC1(CC(N)=O)CCC1 656549754 PTWCMIPECJIIMN-UHFFFAOYSA-N 318.446 2.469 0 50 DEAA O=C1NCCN(C(=O)c2ccco2)[C@@H]1c1c(F)cccc1Cl 375176083 NGRIBZFFXWAYJQ-CYBMUJFWSA-N 322.723 2.385 0 50 DEAA O=C([C@H]1CCc2cn[nH]c2C1)N1CCO[C@H](c2cccs2)C1 162161097 KFNWHDLNUTXWPM-FZMZJTMJSA-N 317.414 2.176 0 50 DEAA Oc1nc2ccccc2n1C1CCN(C[C@H]2CCCN2)CC1 903430589 XMQUXPBYVYXSJX-CYBMUJFWSA-N 300.406 2.131 0 50 DEAA CCCOc1nc2ccccc2cc1C(=O)N1CCCNCC1 911656844 WNRQKPPXGDUEHT-UHFFFAOYSA-N 313.401 2.459 0 50 DEAA COCCN1CCC[C@H](NC(=O)c2cc(F)cc3ccoc23)C1 932150253 AAULNXHPXCOAOO-AWEZNQCLSA-N 320.364 2.413 0 50 DEAA CC1(C)C[C@@H](O)CCN(C(=O)c2ccc3c(n2)CCCN3)C1 863948498 XGBDNVSWDIAKRZ-LBPRGKRZSA-N 303.406 2.063 0 50 DEAA CCOc1ccc(-c2nc(CONC(=N)CN(C)C)co2)cc1 864090982 HXVPIBJTXXNNPB-UHFFFAOYSA-N 318.377 2.300 0 50 DEAA CN(C)C(=O)[C@@H]1CCN(Cc2nccc(Cl)c2Cl)C1 952883288 YRXADCFYIDTDLL-SECBINFHSA-N 302.205 2.299 0 50 DEAA COc1ccc([C@H](C)NCc2cnn3c2CN(C)CC3)c(F)c1 952889711 KWQPSJCYMVPVIH-LBPRGKRZSA-N 318.396 2.327 0 50 DEAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@](CF)(C(=O)O)C1 1875292122 XQLDYIKSRMLRCQ-AHIWAGSCSA-N 321.348 2.072 0 50 DEAA O=C(O)c1cn([C@H]2CCN(C/C=C/c3ccc(F)cc3)C2)nn1 1875266333 PGPXCJFERVKFCZ-YUKKFKLSSA-N 316.336 2.076 0 50 DEAA N=c1nc(O)cc(N2CCC(c3ccc4[nH]ccc4c3)CC2)[nH]1 1875288365 YFDBTSYHBPDHOY-UHFFFAOYSA-N 309.373 2.460 0 50 DEAA c1coc([C@H]2N(c3cncc4ncnn34)CC23CCOCC3)c1 1875404440 ITMMJTCGWVKHQS-OAHLLOKOSA-N 311.345 2.075 0 50 DEAA O=C(Nc1nccc2ccncc12)c1c[nH]nc1[C@H]1CCCO1 879716711 HKKCJTCLKJEWRV-CYBMUJFWSA-N 309.329 2.457 0 50 DEAA C[C@]1(C2CC2)COCCN1C(=O)c1ccc(-c2nc[nH]n2)cc1 890586944 SBUYZFHCACTQEU-QGZVFWFLSA-N 312.373 2.113 0 50 DEAA CC1(C)CC(CC(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)C1 1775961017 CPCHNIWMOQONMQ-UIORMTCPSA-N 309.406 2.341 0 50 DEAA COc1cc(N=c2[nH]c3c(s2)CN(C)CC3)cc(OC)c1 2100483872 VOBVFIBRSQAMPV-UHFFFAOYSA-N 305.403 2.314 0 50 DEAA 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50 DEAA O=C(O)[C@@H]1CCCN1c1nnc(Cc2ccc(F)cc2)s1 263397664 IAIZUGOVNBXGPW-NSHDSACASA-N 307.350 2.321 0 50 DEAA CC(C)Cn1cncc1CNC(=O)c1cnc(O)c(Cl)c1 821502134 MGDBNWHEKRMRTE-UHFFFAOYSA-N 308.769 2.223 0 50 DEAA CN(C)CC(=O)Nc1cccc(NC(=O)[C@H]2CC=CCC2)c1 823676107 AXNXECLZLCQBOX-ZDUSSCGKSA-N 301.390 2.482 0 50 DEAA CC(=O)c1[nH]c(C)c(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1C 952965346 RJHAVGQNKINCHF-YOEHRIQHSA-N 312.369 2.222 0 50 DEAA CC(C)[C@H]1OCCC[C@@H]1C(=O)NCc1ncnn1C(C)(C)C 408469406 HSKFTLDWVPDRHO-GXTWGEPZSA-N 308.426 2.101 0 50 DEAA C[C@@H]1C[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)CCO1 271495968 HBXVSKAUHCRDHU-VYDXJSESSA-N 319.449 2.404 0 50 DEAA CC(C)n1cnc(S(=O)(=O)N2CCc3c(F)cccc32)c1 185596700 POVIFLRWYBNIQW-UHFFFAOYSA-N 309.366 2.355 0 50 DEAA CCc1ccccc1CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 185714328 QPKKBQXZVUISJX-HNNXBMFYSA-N 321.442 2.080 0 50 DEAA CC(C)[C@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccncc1 169986160 WPIYTDQTKGABNB-QMHWVQJVSA-N 314.385 2.418 0 50 DEAA CCCOC(=O)c1ccc(NS(=O)(=O)C[C@H](C)OC)cc1 170617722 KGSAGTIDCSVUAE-NSHDSACASA-N 315.391 2.030 0 50 DEAA NCC[C@H](NC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1)C(F)(F)F 582893805 WJDFIWGBQFUGFF-YYHQMBLXSA-N 317.355 2.120 0 50 DEAA CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNc2cc(CO)ccn2)C1 585117258 WSCXYWXUQKVSBR-GUYCJALGSA-N 319.405 2.243 0 50 DEAA CCN1CC[C@H](NC(=O)NCc2cccc(OC3CC3)c2F)C1 661328119 HQTJKAHTWRTZHJ-ZDUSSCGKSA-N 321.396 2.260 0 50 DEAA O=C(N[C@H](C(=O)O)C1CCCC1)c1ccc(C(F)(F)F)nc1 1615622398 ODPPFOXXFSWBPR-NSHDSACASA-N 316.279 2.474 0 50 DEAA Cc1nn(C)c2ncc(NC(=O)N3CCS[C@@H]4CC[C@H]43)cc12 1616035314 WZXKPGFQDVTRIO-CHWSQXEVSA-N 317.418 2.388 0 50 DEAA COCCNc1nc(CC(=O)N2CCC[C@@H](C)[C@@H]2C)cs1 1616040559 OKJRCMRIXZDDNH-NEPJUHHUSA-N 311.451 2.391 0 50 DEAA CCc1[nH]nc(C(=O)N(CC)Cc2nc(C(C)C)no2)c1C 1506420076 SQVFCAMFGREWKL-UHFFFAOYSA-N 305.382 2.449 0 50 DEAA CCCCN1CCO[C@H](CO)[C@H]1c1ccc(OC)c(OC)c1 1529180085 AXIDNAWQFFYXJJ-IAGOWNOFSA-N 309.406 2.238 0 50 DEAA OC[C@@H](O)C1CCN(Cc2cc(C3CCCCC3)no2)CC1 1772704780 FGCAPPCDXFAXKT-QGZVFWFLSA-N 308.422 2.288 0 50 DEAA COc1ccc(CNS(=O)(=O)Cc2ccccc2F)cc1 16579557 VXRWBFUJGYSNIP-UHFFFAOYSA-N 309.362 2.454 0 50 DEAA CCOc1ccc(N2C[C@H](C(=O)N3CCCC3)CC2=O)cc1 4943335 SVQXWPZXXGHHBV-CYBMUJFWSA-N 302.374 2.061 0 50 DEAA Cc1cccc2[nH]cc(CC(=O)N3CCC(C(=O)O)CC3)c12 225456087 PPRIPORNCBKZHO-UHFFFAOYSA-N 300.358 2.342 0 50 DEAA Cc1nc2cc(-c3nc(N4CCOCC4)n[nH]3)ccc2s1 1875243087 PFMDSCGCBZEPND-UHFFFAOYSA-N 301.375 2.226 0 50 DEAA CC(C)Oc1cncc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1 123294565 BJIQVSJBZFRJTR-CYBMUJFWSA-N 306.410 2.005 0 50 DEAA CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1c[nH]c(CC3CCCC3)n1)C2 248038533 NNHPILXINOBDIU-ZBFHGGJFSA-N 316.449 2.195 0 50 DEAA CNC(=O)Cn1cc(NC(=O)c2ccc(C3CCC3)cc2)cn1 252492158 MEJBOTIREAMFEB-UHFFFAOYSA-N 312.373 2.149 0 50 DEAA CN1CCC[C@H](CNc2ccc3nnnn3n2)[C@H]1c1ccccc1 252477143 IYCRVFMRRVYHFZ-RHSMWYFYSA-N 323.404 2.014 0 50 DEAA Cc1ccc(C(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)nc1C 584039669 ZDURVXPVYPDVTR-CXAGYDPISA-N 304.390 2.109 0 50 DEAA CCc1ccc(S(=O)(=O)N2CCC[C@H]2CCC(=O)O)cc1 386450752 GUHADZUEDRQXAG-ZDUSSCGKSA-N 311.403 2.267 0 50 DEAA CC1(C)CN(C[C@@H]2C[C@H]2C(=O)O)C[C@H](COc2ccccc2)O1 903907795 TXMDIKAVJJKQKT-NUEKZKHPSA-N 319.401 2.266 0 50 DEAA CC1(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)CCCCC1 910617097 ZCRJSQKUKCWERH-UIORMTCPSA-N 309.406 2.485 0 50 DEAA Cc1c(Br)cccc1CCNC(=O)Cc1cnc[nH]1 830551654 AKNJXNFHSGWWAK-UHFFFAOYSA-N 322.206 2.382 0 50 DEAA CN1C[C@@H](NCc2cccc3[nH]ccc23)[C@H](c2cncn2C)C1 952890119 UDPQIQBTOMLMNJ-NVXWUHKLSA-N 309.417 2.089 0 50 DEAA CC(C)C[C@@H](C)OC(=O)N1CCC(O)(c2ccnn2C)CC1 952883787 PVVCPOCSGWPMIP-CYBMUJFWSA-N 309.410 2.275 0 50 DEAA COC(=O)/C=C/CCNC(=O)c1cccc([C@@H]2CCCOC2)c1 1875314343 SRJYYEYNMWFVMV-WAEIRLDISA-N 317.385 2.430 0 50 DEAA C=CC(=O)N(C)c1ccc(C(=O)N2CCc3cccnc32)cc1 1875388026 KDKAVPKESUAPQI-UHFFFAOYSA-N 307.353 2.433 0 50 DEAA O=C(Cc1cnn(-c2ccccc2)n1)N1CC[C@H](C(F)(F)F)C1 888005782 GDCHYMWSUSHOPB-NSHDSACASA-N 324.306 2.221 0 50 DEAA C[C@@]1(C2CC2)COCCN1C(=O)c1cnc(NC2CC2)s1 890590448 PCOWLBQCKWRHMW-HNNXBMFYSA-N 307.419 2.359 0 50 DEAA CN(Cc1cccc(O)n1)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1772255062 LBSJXEAGZWZGOX-USXIJHARSA-N 309.369 2.267 0 50 DEAA CCCn1nc(CC(N)=O)nc1-c1ccc2cccc(F)c2n1 2100539673 SWBZZLLKYDRIRP-UHFFFAOYSA-N 313.336 2.070 0 50 DEAA CCOC(=O)C1(C(=O)Nc2cc(C)ccc2F)CCOCC1 348655718 PWOGBMDLGXOROD-UHFFFAOYSA-N 309.337 2.433 0 50 DEAA Cc1ccc(S(=O)(=O)Oc2c(CO)cc(C)cc2CO)cc1 2373770 VSWDJKLFSONQJD-UHFFFAOYSA-N 322.382 2.056 0 50 DEAA C[C@@H]1Cc2cc(C(=O)N3CCCCC3)ccc2N1S(C)(=O)=O 7911409 CUXZGUGAEXPOJN-GFCCVEGCSA-N 322.430 2.023 0 50 DEAA C[C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)[C@H]2CCCC[C@H]21 222088589 XUEBYEXODQRVFS-PMPSAXMXSA-N 322.449 2.053 0 50 DEAA CC(C)(C)n1cc(CNC[C@@](C)(CO)c2ccccc2)nn1 342211154 MYOYTEFSBZRSGO-KRWDZBQOSA-N 302.422 2.073 0 50 DEAA CCN(CCN1CCCCCC1)Cc1nccn1CCOC 55224614 BOMDFBMYNVKXAP-UHFFFAOYSA-N 308.470 2.227 0 50 DEAA Cc1nc(CN2CCN(C[C@H](C)c3ccccc3)CC2)no1 116879522 BAGTVMSQFHKRAQ-AWEZNQCLSA-N 300.406 2.299 0 50 DEAA CCCN(C[C@H]1CCCO1)C(=O)c1nc(O)c2ccccc2n1 67726067 GJUIVCVMKYHAIY-GFCCVEGCSA-N 315.373 2.367 0 50 DEAA CS(=O)(=O)c1cccnc1-c1noc(C[C@H]2C=CCC2)n1 351222622 AYYUJYWFOFDNGT-JTQLQIEISA-N 305.359 2.044 0 50 DEAA CCc1cc(C)c(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)o1 328629606 PAJNMDHJEKLYIL-ZDUSSCGKSA-N 302.378 2.002 0 50 DEAA Cc1n[nH]c(C)c1[C@@H](NC(=O)c1nccc2ccccc12)C(=O)O 67871906 VCNPILMABZRSMC-OAHLLOKOSA-N 324.340 2.130 0 50 DEAA COc1cccc2c1[C@H](C(=O)N1CCC[C@@](C)(O)CC1)CC2 352182191 NOAILZPTJCSHKY-RDTXWAMCSA-N 303.402 2.489 0 50 DEAA CC(C)c1nccn1CCCNC(=O)[C@@H](O)c1ccccc1F 215947597 FCCCDYQJPPIUIN-HNNXBMFYSA-N 319.380 2.386 0 50 DEAA O=C(NCc1ncccc1O)[C@@H]1C[C@@]12CCOc1ccccc12 253427388 ADVXHBJEIAVJFF-SCLBCKFNSA-N 310.353 2.144 0 50 DEAA CCOc1nc2cc(C(=O)O[C@@H](C)Cn3cccn3)ccc2[nH]1 253424880 LOPCNAPJRQJQIX-NSHDSACASA-N 314.345 2.404 0 50 DEAA c1ccc(-n2nnnc2CN2CC[C@H](Cc3ccncc3)C2)cc1 360386481 XRGJUCJNCFNTIM-MRXNPFEDSA-N 320.400 2.122 0 50 DEAA Cc1cc(C(=O)N2CCC3(CCOCC3)CC2)c(=O)n(C)c1C 71681973 LHPOSKWYFYSBKS-UHFFFAOYSA-N 318.417 2.035 0 50 DEAA C[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ncnn1C 72474073 OROJEARNTZPRKG-LBPRGKRZSA-N 316.405 2.010 0 50 DEAA CN(Cc1csc(-c2ccccc2)n1)C(=O)Cn1cncn1 72454582 RJSKMDFBBOGIHY-UHFFFAOYSA-N 313.386 2.060 0 50 DEAA Cc1ccc([C@H](CNC(=O)c2cc(C)nc(O)c2)N(C)C)cc1 180177662 METDQXQRMMRDFD-INIZCTEOSA-N 313.401 2.437 0 50 DEAA CC1(C)CN(Cc2cc(=O)n3nccc3[nH]2)Cc2ccccc2O1 377587855 QAKIXTJDDDUCDL-UHFFFAOYSA-N 324.384 2.196 0 50 DEAA C[C@@H](C(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccccn1 332515928 MOETZHUASNNQDS-CQSZACIVSA-N 311.385 2.240 0 50 DEAA Cc1cc2c(c(=O)o1)[C@H](c1ccc(C(=O)O)cc1)CC(=O)O2 217956496 CNQAMSYKSMCPKJ-NSHDSACASA-N 300.266 2.087 0 50 DEAA biogenic Cc1nn(C)cc1NC(=O)Cc1nc(-c2ccco2)oc1C 172765131 DUFPYKWPXSSCGD-UHFFFAOYSA-N 300.318 2.466 0 50 DEAA COc1ccc(CN(C)C(=O)[C@H]2CC23CCNCC3)cc1C 237278830 OTQMBWKPFYJQCO-OAHLLOKOSA-N 302.418 2.352 0 50 DEAA CCn1ccnc1[C@@H](NC(=O)c1[nH]ccc1C)C1CCOCC1 286916621 PXRPZLJYBNZWJN-HNNXBMFYSA-N 316.405 2.437 0 50 DEAA COc1ccc(OC)c2c1CN(C(=O)c1cc[nH]c1C)C[C@H]2O 176120669 ZBIYTXZZWFNRKA-CYBMUJFWSA-N 316.357 2.030 0 50 DEAA NC[C@@H]1CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)C1 178564522 NFSNUMLTSUKTNL-ZDUSSCGKSA-N 322.836 2.195 0 50 DEAA Cc1cc(CC(=O)N2CCC3(CCC(N(C)C)CC3)CC2)n[nH]1 615443600 JAASEPOAWISAAO-UHFFFAOYSA-N 318.465 2.374 0 50 DEAA Cc1ccc2ncccc2c1CN1C[C@H](CO)[C@H](CN(C)C)C1 91617018 OOANXYFKYDVOME-HZPDHXFCSA-N 313.445 2.145 0 50 DEAA CN(C)CCCN(C)C(=O)CCc1nc2ccc(F)cc2[nH]1 97757924 GBKDUOOVUFLADS-UHFFFAOYSA-N 306.385 2.045 0 50 DEAA CNC[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 178969242 SITGWOCMUOMOOO-NSHDSACASA-N 318.808 2.412 0 50 DEAA COc1cccc2c1OC[C@H](C(=O)NCCc1cscn1)C2 91562910 XRFWPHXEZKALLE-GFCCVEGCSA-N 318.398 2.062 0 50 DEAA Cc1cc(Br)ccc1C(=O)NCC1(C)OCCO1 179022900 UVMSJFQEEDDEGH-UHFFFAOYSA-N 314.179 2.250 0 50 DEAA CCn1ccc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)cc1=O 97480499 ODYDOTXCAFLYBS-MRXNPFEDSA-N 318.417 2.290 0 50 DEAA C[C@@]1(F)CCCN(C(=O)Cn2ccc3ccccc3c2=O)C1 295631373 SEOPNVVWBQIWPS-QGZVFWFLSA-N 302.349 2.352 0 50 DEAA Cc1cc2c(cc1C)[C@@H](C(=O)NCc1nnc3ccccn13)CO2 184750242 OUURNZPCVMJPJY-AWEZNQCLSA-N 322.368 2.139 0 50 DEAA COc1ccccc1-c1cc(CNC(=O)C[C@H](C)N(C)C)on1 534635781 DDQSADOBSUUOHE-LBPRGKRZSA-N 317.389 2.307 0 50 DEAA CC[C@H](NC(=O)c1ccnn1C)c1ccc(OC)c(OC)c1 286842052 FVFYCNGSHKBXNE-LBPRGKRZSA-N 303.362 2.318 0 50 DEAA COC(=O)[C@@H]1CCCN1C(=O)c1cc(Cc2ccccc2)no1 299756164 IKQQYDKFHLBWOO-AWEZNQCLSA-N 314.341 2.043 0 50 DEAA O=C(c1ccccc1)[C@H]1CCCN(Cc2nc3ncccn3n2)C1 299783134 ILYRNVOABSUKER-HNNXBMFYSA-N 321.384 2.219 0 50 DEAA c1cncc(-n2ncnc2C2CCN(C3CCOCC3)CC2)c1 827604341 OVJGMKYHZLGFRE-UHFFFAOYSA-N 313.405 2.021 0 50 DEAA CC(C)(C)n1[nH]cnc1=NC(=O)c1ccc(F)c2cccnc12 1339042608 BZNFAXNMWYRCGS-UHFFFAOYSA-N 313.336 2.395 0 50 DEAA CC(C)c1nc([C@@H]2CCCCN2C(=O)N[C@@H]2CCCOC2)n[nH]1 408522903 DWBZCIPCNYUSRS-OLZOCXBDSA-N 321.425 2.344 0 50 DEAA COC[C@H](O)CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 170593896 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2.116 0 50 DEAA O=C(c1cnc2ccccc2n1)N1CCC[C@]2(CCC[C@H]2O)C1 1704297899 ANLXFCQOMPSNPD-SJLPKXTDSA-N 311.385 2.397 0 50 DEAA COC[C@H]1CCCCN1C(=O)c1cn(C2CCCCC2)nn1 11817386 YJWOEODDDKCBDU-CQSZACIVSA-N 306.410 2.424 0 50 DEAA CC[C@H](O)CN1C(=O)CC[C@H]1CCNCc1ccc(F)cc1 12039867 YGZWGUCRUNZFLN-HOTGVXAUSA-N 308.397 2.067 0 50 DEAA CC(C)CCN1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 12707419 XKMLATWWAKIBIB-INIZCTEOSA-N 321.509 2.488 0 50 DEAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cc2cc(Cl)ccc2o1 13720424 WJGTWZPQGBKADS-JTQLQIEISA-N 311.746 2.127 0 50 DEAA O=C(NC(=S)N[C@@H](CO)c1ccccc1)c1ccc(F)cc1 5684840 UCHNTHXIUGDMEN-AWEZNQCLSA-N 318.373 2.164 0 50 DEAA CC(C)(O)[C@H](O)COc1c2occc2cc2ccc(=O)oc12 1568212 FOINLJRVEBYARJ-LLVKDONJSA-N 304.298 2.050 0 50 DEAA endogenous,in-man O=C(c1cc2ccccc2s1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669089 PLTSLCLISLANSW-SUMWQHHRSA-N 317.410 2.372 0 50 DEAA O=C1C[C@H]2N(Cc3cc(F)ccc3Cl)CC[C@]23OCCCN13 1857733682 ULYCUXUGCBHKCT-ZBFHGGJFSA-N 324.783 2.402 0 50 DEAA O=S(=O)(c1ccc2c(c1)Cc1ccccc1-2)N1CCOCC1 209989 OXOKVBROWLQXSL-UHFFFAOYSA-N 315.394 2.279 0 50 DEAA Cc1nc([C@@H]2CCCCN2C(=O)CC2(O)CCCCC2)n[nH]1 407980171 FVXWYWKPPZCCPS-ZDUSSCGKSA-N 306.410 2.252 0 50 DEAA O=C(O)CCCN1CCN(Cc2c(F)cccc2Cl)CC1 116343714 YFXCIMDRCXZHJY-UHFFFAOYSA-N 314.788 2.462 0 50 DEAA Cc1ccc([C@@H](C)NC(=O)CCc2nc(N(C)C)no2)cc1F 430887309 DFYRYZVCTXFYCQ-LLVKDONJSA-N 320.368 2.393 0 50 DEAA CCC[C@@H](N)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[nH]2)c1 236813185 CKHKMYAGGKHATH-CQSZACIVSA-N 314.389 2.065 0 50 DEAA O=C([C@@H]1CCc2nncn2C1)N1CC(c2cccc(Cl)c2)C1 333683785 ACZVAWPLYRJJNA-GFCCVEGCSA-N 316.792 2.120 0 50 DEAA O=C(NCCN1CCC(O)CC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 333687017 BHTIYSKEQOTPBS-BHYGNILZSA-N 308.466 2.166 0 50 DEAA CC(C)c1ccc(NC(=O)CN[C@@](C)(C(N)=O)C(C)C)cc1 253430811 SFXONFUCVNGVAG-QGZVFWFLSA-N 305.422 2.238 0 50 DEAA COc1ccc(C(=O)N2C[C@@H](O)C3(CC3)C2)c(OCC2CC2)c1 365000281 HQFFUBXJYPMQCO-MRXNPFEDSA-N 317.385 2.081 0 50 DEAA Cn1cc(C(=O)N2CCC[C@@H](N)C2)c(-c2ccccc2Cl)n1 158582507 PNHBQCONBAOPRN-LLVKDONJSA-N 318.808 2.304 0 50 DEAA CC[C@@H]1C[C@@H](NC(=O)NCc2ccc(C(=O)O)cc2)CCO1 263131678 CYWNRJWPHPKKLD-UONOGXRCSA-N 306.362 2.142 0 50 DEAA CCN(Cc1ccc(Cl)s1)C[C@@H](O)C1(O)CCOCC1 929131587 YAAFZXALJBOJKT-GFCCVEGCSA-N 319.854 2.126 0 50 DEAA COc1ccccc1-c1noc(C(C)(C)CN2CCOCC2)n1 874435074 KWAOISZOUHVQCC-UHFFFAOYSA-N 317.389 2.355 0 50 DEAA Cc1ccc(C(=O)N2Cc3cc(C(=O)O)nn3C[C@H]2C)c(F)c1 1875272666 GQINXCDZXREHHY-SNVBAGLBSA-N 317.320 2.073 0 50 DEAA O=C(N[C@H]1CCOc2ccc(F)cc21)[C@H]1CC(C2CC2)=NO1 1875293047 AMJWXPFJYVNAFA-SWLSCSKDSA-N 304.321 2.320 0 50 DEAA CNC(=O)Cc1cccc(NC(=O)[C@@H](N)CC2CCCCC2)c1 1875292556 LRVQETAOJCALBM-INIZCTEOSA-N 317.433 2.211 0 50 DEAA Cc1cc(CNC(=O)C[C@H](NC2CC2)C(F)(F)F)cc(C)n1 1875284149 NMFFZRZVGHRMNI-ZDUSSCGKSA-N 315.339 2.388 0 50 DEAA Cc1cc2ccccc2n1CC(=O)N[C@]1(c2ncc[nH]2)CCOC1 886093350 CGEVHSPNXOEHMJ-GOSISDBHSA-N 324.384 2.105 0 50 DEAA C[C@]1(C2CC2)COCCN1C(=O)c1ccnc(-c2ncc[nH]2)c1 890590881 WTGZNYCBBXGISA-QGZVFWFLSA-N 312.373 2.113 0 50 DEAA C[C@]1(c2nc(-c3cnn(CCO)c3)no2)CCc2ccccc2C1 1776005316 CIFVTTXBWQKFTF-SFHVURJKSA-N 324.384 2.372 0 50 DEAA COc1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)ccn1 1317864063 NHWYNOASSPVGBF-UHFFFAOYSA-N 322.368 2.248 0 50 DEAA O=C(O)[C@@H]1CC[C@H](NS(=O)(=O)c2cc(F)ccc2Cl)C1 159654005 ZGLZMSFRQFDHIJ-APPZFPTMSA-N 321.757 2.011 0 50 DEAA CC(C)(C)c1cc(=NC(=O)[C@H]2CC(=O)OC23CCCC3)[nH]o1 2100544614 BLIPQXKAWXUBKJ-SNVBAGLBSA-N 306.362 2.208 0 50 DEAA CN(Cc1cc(=O)c2ccccc2[nH]1)C[C@@H]1CCn2ccnc2C1 2325820708 LUJCHPMJJYIVBS-CQSZACIVSA-N 322.412 2.419 0 50 DEAA Cn1ncc(CN)c1NC(=O)c1ccc2ccc(Cl)cc2n1 2325855913 UPECVBGNADNHQS-UHFFFAOYSA-N 315.764 2.333 0 50 DEAA COC[C@@H](C)n1ccc(NC(=O)c2cc(F)cc(F)c2O)n1 935504951 FBPWBLDJOMXGGR-MRVPVSSYSA-N 311.288 2.327 0 50 DEAA COc1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 44283 WDKOMGQQTMHPLI-LLVKDONJSA-N 324.336 2.318 0 50 DEAA Cc1nc2ccc(C(=O)Nc3ccc4nn(C)nc4c3)cc2[nH]1 2356163039 PXPZITRULPTGPE-UHFFFAOYSA-N 306.329 2.405 0 50 DEAA c1nc(N[C@@H]2C[C@@H]3OCCC[C@@H]32)cc(N2CCSCC2)n1 225489957 OWRCEBFFXUWDGC-UPJWGTAASA-N 306.435 2.009 0 50 DEAA COC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1C 9484088 WYFSCCSXNOOWHX-UHFFFAOYSA-N 300.293 2.334 0 50 DEAA C[C@@H]1C[C@@H](N2CCOCC2)CN1c1ncnc2c1CCCCC2 343257166 XQYCVLJUPYKIBU-HUUCEWRRSA-N 316.449 2.045 0 50 DEAA CCOC(=O)CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1O 100137641 FPVRWUAPUMLKTJ-UHFFFAOYSA-N 314.345 2.258 0 50 DEAA O=C(Nc1cnc2n1CCCC2)c1cn2cc(Cl)cnc2n1 67742988 NZUULCDQIMFQPI-UHFFFAOYSA-N 316.752 2.168 0 50 DEAA CCn1nc(C)c(CNC(=O)[C@H]2COc3ccccc3C2)c1C 66478299 LHGMEUWGTOKROI-OAHLLOKOSA-N 313.401 2.387 0 50 DEAA CCCc1n[nH]c(NC(=O)NCCc2cccc(OC)c2)n1 20599085 BFEMBWXFEVSZEF-UHFFFAOYSA-N 303.366 2.130 0 50 DEAA CCOC(=O)[C@H]1CCCCN1Cc1ccc(C(=O)OC)cc1 23280693 DKRGHPIDDITZFS-OAHLLOKOSA-N 305.374 2.391 0 50 DEAA Cc1nc(N2CCCC2)nc(N2CC[C@@H](n3ccnc3)C2)c1C 65387416 UGPJLHNTYBOUAW-OAHLLOKOSA-N 312.421 2.342 0 50 DEAA Cc1[nH]nc(CCC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c1C 67974217 ZKLYEVQPGXJONG-CYBMUJFWSA-N 301.394 2.088 0 50 DEAA CCN1CCN(C(=O)c2cc(F)cc(F)c2)C[C@@H]1c1ncc[nH]1 328621199 HNXNAIFXSPWABY-CQSZACIVSA-N 320.343 2.207 0 50 DEAA CC[C@](O)(C(=O)NCCc1ncc[nH]1)c1cccc(Cl)c1 253397144 FKLAJYKATQVIPS-OAHLLOKOSA-N 307.781 2.020 0 50 DEAA CCOC(=O)N1CC[C@H](NC(=O)N(C)c2ccc(F)cc2)C1 252538636 NCNSIBNZADXTKM-LBPRGKRZSA-N 309.341 2.202 0 50 DEAA CC[C@@H](NC(=O)Cc1csc(C)n1)c1cn2cccnc2n1 72432502 YZCMKCXRCLMOOI-GFCCVEGCSA-N 315.402 2.304 0 50 DEAA Cc1cc(C(=O)O)ccc1NC(=O)CNC(=O)c1cccs1 314243809 FBMSOTOTJXQKLR-UHFFFAOYSA-N 318.354 2.123 0 50 DEAA C[C@@H]1CCC[C@@H](C)C12NC(=O)N(Cc1cncc(F)c1)C2=O 281267256 WUGCYARPBPCISW-GHMZBOCLSA-N 305.353 2.467 0 50 DEAA CCc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2nc(C)no2)oc1CC 328613607 SRJJGNJQJLMRDA-VXGBXAGGSA-N 319.361 2.044 0 50 DEAA CNC[C@@H]1C[C@H](F)CN1C(=O)/C=C/c1ccc2ccccc2n1 375066681 WIXGICGKBMIXHJ-IVFUDNFBSA-N 313.376 2.406 0 50 DEAA CN(C(=O)Cn1ccc(=O)c2ccccc21)C1CCSCC1 219843216 SNXYFNYELRGTAP-UHFFFAOYSA-N 316.426 2.356 0 50 DEAA 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317.418 2.321 0 50 DEAA CCO[C@@H]1COCC[C@@H]1NC(=O)N[C@@H]1CC[C@@H]1c1ccccc1 661027028 YTBVEIBSIPYSPU-WCXIOVBPSA-N 318.417 2.426 0 50 DEAA COc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)CC2)nn1 1615614554 HRNKEVZJHMRSTE-OAHLLOKOSA-N 313.357 2.089 0 50 DEAA O=C(O)c1cnc(N2CCC([C@@H](O)c3cccs3)CC2)cn1 1529146793 QHPVPAIVORRBFI-CQSZACIVSA-N 319.386 2.186 0 50 DEAA O=C(O)[C@H]1CN(C(=O)NCc2cccc(F)c2)C[C@@H]1C1CC1 222060811 LJLCVEABULDMFM-KGLIPLIRSA-N 306.337 2.078 0 50 DEAA CCOc1ccc(CNCCCN2CCOCC2)cc1OCC 5019220 YYZGSAQYFXBMDF-UHFFFAOYSA-N 322.449 2.296 0 50 DEAA CN(C)C(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 13566153 KURCQZIKJAURFN-UHFFFAOYSA-N 324.427 2.275 0 50 DEAA COc1nc2ccccc2nc1CCC(=O)NCc1ccco1 6702297 UVOVMDLQKGJCEE-UHFFFAOYSA-N 311.341 2.480 0 50 DEAA COc1ccc(C(=O)NCC(=O)Nc2ccccc2)cc1OC 2880698 WDXSQTPXMIPWPH-UHFFFAOYSA-N 314.341 2.072 0 50 DEAA CC[C@]12COC(=O)N1CCN(C(=O)CCc1ccsc1)C2 1857672405 BJCVWJRRWNYHAI-HNNXBMFYSA-N 308.403 2.124 0 50 DEAA CN1CC[C@@H](n2ccnc2-c2ccc(-n3ccnc3)cc2)C1=O 1857674553 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315.373 2.493 0 50 DEAA COC(=O)NCCCc1nc(C2(C(F)(F)F)CCC2)no1 1775994331 QJBXDDGSUUGLEC-UHFFFAOYSA-N 307.272 2.342 0 50 DEAA O=C(O)[C@@H]1c2ccoc2CCN1C(=O)c1cc[nH]c1C1CC1 1775961042 QPRNFIITJIEUSA-AWEZNQCLSA-N 300.314 2.309 0 50 DEAA CC(C)c1coc([C@@H]2CCCN2S(=O)(=O)c2ccnn2C)n1 1775990369 ANVVYJKNZBGINO-LBPRGKRZSA-N 324.406 2.057 0 50 DEAA Cc1c(CNC(=O)c2nc(C)n(C)n2)noc1-c1ccccc1 2325813046 GATRMXOTSSISJQ-UHFFFAOYSA-N 311.345 2.017 0 50 DEAA Cc1cc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c2c(C)noc2n1 245344054 XDPAYABFLBIMPS-ZLKJLUDKSA-N 315.373 2.383 0 50 DEAA Cc1cc(S(N)(=O)=O)ccc1NC(=O)[C@@H](C)c1ccccc1 463201 GZGUVVBURPWQOY-LBPRGKRZSA-N 318.398 2.385 0 50 DEAA CN[C@H]1CCCN(C(=O)C[C@@H](C)Cc2ccccc2OC)C1 132894311 BJYCTVKNXRMTDO-HOCLYGCPSA-N 304.434 2.474 0 50 DEAA O=C(c1ccccc1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 4256573 XEYCCEDRIDKXEV-QGZVFWFLSA-N 306.365 2.268 0 50 DEAA CC(C)c1ncc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cn1 279814911 AZXGGNMAHODURG-UHFFFAOYSA-N 319.386 2.256 0 50 DEAA 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METKPSCOEGQEJK-ZDUSSCGKSA-N 303.337 2.191 0 50 DEAA COc1ccc([C@H](NC(=O)c2cn[nH]c2)c2ccncc2)cc1 215013937 XYCALHOBQQULEP-INIZCTEOSA-N 308.341 2.333 0 50 DEAA Nc1nccc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 72144391 NOPZKMAIAWDACS-KBAYOESNSA-N 321.428 2.125 0 50 DEAA CC(C)(C)c1noc(CNC(=O)[C@H](O)c2ccc(Cl)cc2)n1 218907961 GYVYZBKFNBBKFV-GFCCVEGCSA-N 323.780 2.370 0 50 DEAA CCc1n[nH]c(NC(=O)c2ccc(N3CCCCCC3)nc2)n1 123152405 YVIQBKPHBVKBMC-UHFFFAOYSA-N 314.393 2.395 0 50 DEAA C[C@@H](Cn1cncn1)NC(=O)c1ccc2nc(C3CC3)oc2c1 12298485 MGZKEUHPBJXWEN-JTQLQIEISA-N 311.345 2.115 0 50 DEAA Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77427565 AYTKKPMORNPCGJ-CYBMUJFWSA-N 301.394 2.088 0 50 DEAA CO[C@@]1(C)CCCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 366558602 HLZCUYGTQIVMQG-KRWDZBQOSA-N 316.405 2.242 0 50 DEAA CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)O 441228910 IOWGYHGLVGYIQG-CZUORRHYSA-N 305.422 2.007 0 50 DEAA COCc1cc(N[C@H](C)[C@@H]2CN(C)CCO2)nc(C(C)(C)C)n1 126515935 ZWQDUVYGFQPSSY-OCCSQVGLSA-N 322.453 2.052 0 50 DEAA C[C@@H](NC(=O)N1CCOC[C@@H]1c1ccccc1)c1cnn(C)c1 372627696 PORZFFWUPGUGIN-CZUORRHYSA-N 314.389 2.264 0 50 DEAA O=C(Nc1cc(F)cc(N2CCOCC2)c1)C1(O)CCCCC1 128087268 UBZWOOUKHPWHMF-UHFFFAOYSA-N 322.380 2.296 0 50 DEAA CCC(=O)N1CC[C@@H](NC(=O)NCc2ccccc2Cl)C1 128100592 BYMVTGSDMODENI-GFCCVEGCSA-N 309.797 2.150 0 50 DEAA CN(C(=O)NC1CCN(c2ncccn2)CC1)C1CCCC1 172307012 TYYYWMYQPNILCS-UHFFFAOYSA-N 303.410 2.029 0 50 DEAA Cc1nc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)cs1 237711156 SSPLWCHCAHRIMQ-CQSZACIVSA-N 316.382 2.032 0 50 DEAA NC[C@H]1CCCN1C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 238055985 CNSNBEJQUCZEFX-CQSZACIVSA-N 312.373 2.177 0 50 DEAA CCN(C)C[C@@H]1CCN(c2nc(N(C)C)c3ccccc3n2)C1 450364933 ZTEZXHRJBBCHGT-AWEZNQCLSA-N 313.449 2.474 0 50 DEAA Cc1ccc(CN(C)C(=O)c2cc(-c3cnn(C)c3C)[nH]n2)o1 71639112 VXSJBHLQVHGNMQ-UHFFFAOYSA-N 313.361 2.292 0 50 DEAA O=C(Nc1ccncc1F)c1cn(-c2ccc(F)cc2)nn1 132370136 NAPHVIJLFFIHEA-UHFFFAOYSA-N 301.256 2.193 0 50 DEAA 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308.957 2.322 0 50 DEAA Cc1csc2c(=O)n(Cc3cn4c(n3)SCC4)cnc12 584896242 WVAIIGFUCSVUMY-UHFFFAOYSA-N 304.400 2.117 0 50 DEAA Cc1cc(C)nc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)c1 1412698975 FQLCKNULZBBOBH-MRVPVSSYSA-N 313.283 2.326 0 50 DEAA CCCC[C@H]1C=CCN1C(=O)c1nn(C)c2c1CC(=O)CC2 952971932 MXVOWQVXINKWHH-LBPRGKRZSA-N 301.390 2.049 0 50 DEAA O=C(c1cnns1)N(Cc1ccc(F)cc1)C1CCOCC1 276981263 BGRFWNUVYUOIAS-UHFFFAOYSA-N 321.377 2.499 0 50 DEAA Cc1ncc2n1C[C@@H](C(=O)Nc1cccc(CC(=O)O)c1)CC2 630143808 IIRZSOVYRTYTAU-ZDUSSCGKSA-N 313.357 2.020 0 50 DEAA O=C(NCc1ccc[nH]1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 169998037 HGLWJAFKNSFPSL-CYBMUJFWSA-N 303.406 2.202 0 50 DEAA Oc1cccc(Cc2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)c1 278124043 QQFSDHFPPGWSJG-UKRRQHHQSA-N 315.373 2.292 0 50 DEAA O=C(NC1CN(C(=O)c2c[nH]c3cc(F)ccc23)C1)C1CCC1 189220886 NXLVNBSJAJGGIK-UHFFFAOYSA-N 315.348 2.048 0 50 DEAA COc1cc(C)nc(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 583615865 FJJFFUMUFLFDHT-SMDDNHRTSA-N 321.327 2.384 0 50 DEAA 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2.431 0 50 DEAA CCCN1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1 20595146 JUCLRJDBXOGASY-UHFFFAOYSA-N 313.804 2.445 0 50 DEAA Cc1cc(=N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cc[nH]1 344097334 XTMZKYNOVHBNMB-AEFFLSMTSA-N 308.385 2.123 0 50 DEAA CC(=O)N(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 100469608 XUACHQWYOHFULX-GJZGRUSLSA-N 300.358 2.172 0 50 DEAA CCOC[C@H](O)CNC(=O)c1cc(C)nc2c(C)c(C)ccc12 55074543 VSMBDHUUMSDUEE-CQSZACIVSA-N 316.401 2.287 0 50 DEAA O=C(NC[C@H](c1cccs1)N1CCOCC1)[C@@H]1[C@H]2CCC[C@H]21 248368983 VUDGRFMPGJMRME-CTASWTNQSA-N 320.458 2.284 0 50 DEAA O=C(c1cccc(C(F)(F)F)c1F)N1C[C@@H](F)C[C@H]1CO 347436522 KJJWIBBAUJWNJG-YUMQZZPRSA-N 309.234 2.389 0 50 DEAA O=C(c1c[nH]nc1C1CC1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 348264965 VMKYNNXKUZGYAP-HIFRSBDPSA-N 315.348 2.374 0 50 DEAA C[C@@H](NC(=O)C1Cc2ccccc2C1)c1nc(C(F)(F)F)n[nH]1 1365023927 GAHFQVNDGQYBNH-MRVPVSSYSA-N 324.306 2.416 0 50 DEAA COCCN1C[C@H](C(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1=O 252515711 MXDWUCCIPNWUBL-QKPAOTATSA-N 323.433 2.383 0 50 DEAA O=C(CN1CCCC1=O)Nc1ccc(F)cc1-n1cccc1 253419215 KWCGVQKJYBFUEJ-UHFFFAOYSA-N 301.321 2.177 0 50 DEAA CCc1nnc(C)cc1C(=O)NC1(CC(=O)O)CCCCC1 317577612 HKNNMBWMFOEYFL-UHFFFAOYSA-N 305.378 2.255 0 50 DEAA CCn1c(C)cc(C(=O)N2CCO[C@@H](c3nnc(C)o3)C2)c1C 328612032 NMTFZBLCPWMYNF-CQSZACIVSA-N 318.377 2.030 0 50 DEAA Cc1nc(CC2CC2)oc1C(=O)N1CC[C@H](n2cccn2)C1 329600066 DVKKYSAQSUZWSY-ZDUSSCGKSA-N 300.362 2.219 0 50 DEAA COc1cc(F)c(C(=O)N2CCC[C@H]([C@H](C)N)C2)cc1OC 156190069 NBTDVSGKAOYHNJ-QWRGUYRKSA-N 310.369 2.042 0 50 DEAA Fc1cccnc1N1CC[C@@H](NC2CCC3(CC2)OCCO3)C1 156321180 HQFQWVYDVLSMSQ-CQSZACIVSA-N 321.396 2.075 0 50 DEAA O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)C(F)F 369491304 QVVSKZGCFJDBDW-UHFFFAOYSA-N 317.299 2.321 0 50 DEAA CCOc1ccc(Cl)cc1-c1nc2c([nH]1)CCN[C@H]2C(=O)O 77406890 FMJVAWGWQVNMTG-CYBMUJFWSA-N 321.764 2.400 0 50 DEAA CN(C[C@@H]1CC=CCC1)S(=O)(=O)c1cc(Cl)cnc1N 330866646 ZUVWNNKSAVQGSS-SNVBAGLBSA-N 315.826 2.294 0 50 DEAA CCc1ncc(S(=O)(=O)N2CCC[C@](C)(OC)CC2)s1 331559399 CIFGYQBFDYFMMA-ZDUSSCGKSA-N 318.464 2.285 0 50 DEAA O=C(Cc1ccon1)N1CCO[C@@H](c2cccc(Cl)c2)C1 331646895 TYOCVPGQMPZGSO-CQSZACIVSA-N 306.749 2.471 0 50 DEAA COCC[C@H]1CN(C(=O)CCc2ccc(C)c(C)c2)CCO1 219891183 BVDNHIGEGQIHGJ-KRWDZBQOSA-N 305.418 2.500 0 50 DEAA CC(C)c1noc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 77525119 HEENDOMYSXQOET-LBPRGKRZSA-N 315.377 2.382 0 50 DEAA COCC(=O)N(Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 282905794 YHHVNYXZXCAXPH-LBPRGKRZSA-N 307.390 2.477 0 50 DEAA Cc1csc2ncnc(N3CCC[C@@H](c4nc(O)n[nH]4)C3)c12 334035266 NCRVAOPXMRHGRB-SECBINFHSA-N 316.390 2.207 0 50 DEAA CCNC(=O)N1CCN(C(=O)Nc2ccc3cc[nH]c3c2)CC1 239352653 ACWNKJJRAWNXRN-UHFFFAOYSA-N 315.377 2.047 0 50 DEAA COC(=O)c1ccoc1CN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@H]21 241774069 RMTZLFFIWUZRKO-YUTCNCBUSA-N 321.373 2.372 0 50 DEAA COc1ccccc1OC1CN(C(=O)[C@@H](C)CN2CCCC2)C1 82133805 YEMACWHEIVQFKG-AWEZNQCLSA-N 318.417 2.017 0 50 DEAA CCCCN(C)C[C@@H](C)NS(=O)(=O)c1sccc1F 338991864 CULOZRYFNPQFEU-SNVBAGLBSA-N 308.444 2.286 0 50 DEAA O=C(O)c1cccc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)n1 263410518 MDQOLYGMOAEXTO-CXAGYDPISA-N 316.332 2.084 0 50 DEAA C[C@@H](CN(C)c1nc(-c2cccnc2)nc2c1CCC2)C(=O)O 263556212 OLLPIOPNDLTXJU-NSHDSACASA-N 312.373 2.184 0 50 DEAA O=C(NCC1CCN(C2CC2)CC1)c1ccc2cccnc2n1 614075603 DDOADNLBUXHAOB-UHFFFAOYSA-N 310.401 2.234 0 50 DEAA O=C(Nc1nnc(-c2ccccn2)s1)NC1(CO)CCCC1 177239062 QTDJGNZTMZWNCL-UHFFFAOYSA-N 319.390 2.027 0 50 DEAA CN(Cc1cnc2ccccc2n1)C(=O)CN1CCCCCC1 220635579 HRRHVOIYFZAXSF-UHFFFAOYSA-N 312.417 2.464 0 50 DEAA Cc1cccc(-c2n[nH]cc2C(=O)NCc2csc(N)n2)c1 426533918 CIDRQCCPFKNQAZ-UHFFFAOYSA-N 313.386 2.354 0 50 DEAA O=C(NCC1(O)CCCCC1)[C@H]1CCOc2ccccc2C1 95522317 XBGGTBAZUJSALH-HNNXBMFYSA-N 303.402 2.439 0 50 DEAA Cc1nonc1[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccccc12 91817697 DONQZVNOAVORGT-CQSZACIVSA-N 324.340 2.197 0 50 DEAA CN(C)[C@@H](C(=O)NCc1ccc(CO)cc1)c1ccc(F)cc1 95388942 QQEGUSBYNHQATC-QGZVFWFLSA-N 316.376 2.237 0 50 DEAA C[C@@H]1CN(C(=O)Cc2ccc(CO)cc2)CC[C@@]1(O)C1CCC1 91997298 JBHJJHCEWKASMJ-KUHUBIRLSA-N 317.429 2.121 0 50 DEAA CCc1cc(C(=O)N2CCC[C@@]3(CCCO3)CC2)cc(=O)[nH]1 97805500 ZKQSZKWGQAFJEP-QGZVFWFLSA-N 304.390 2.113 0 50 DEAA Cc1cnc(CNC(=O)c2cc(-c3ccc(C)s3)n[nH]2)cn1 91713840 BJARAMMBELAJGM-UHFFFAOYSA-N 313.386 2.475 0 50 DEAA Cc1cc(C)nc(CNC(=O)[C@H](c2cccc(F)c2)N(C)C)n1 95367822 QEVUDFLIWHQHDX-INIZCTEOSA-N 316.380 2.152 0 50 DEAA Cc1cccnc1CCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 333238310 ZJVOYLRREBDJMO-YJBOKZPZSA-N 317.433 2.269 0 50 DEAA CC(=O)N[C@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@@H]1C1CC1 91663990 REMALSVYPQAJRR-HIFRSBDPSA-N 324.783 2.466 0 50 DEAA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)CO)CC2)C1 91817600 NNWYRPRJNXFOBY-QGZVFWFLSA-N 316.445 2.097 0 50 DEAA O=C(COCc1ccccc1)N[C@@H]1CC(=O)N(c2ccccc2)C1 91651168 JDMPNNFCYMOUOF-MRXNPFEDSA-N 324.380 2.125 0 50 DEAA Cc1ccsc1[C@@H](Cn1cc(-c2nccn2C)nn1)N(C)C 91325805 CWZUFGZXYGQAAA-CYBMUJFWSA-N 316.434 2.351 0 50 DEAA CN1CCc2n[nH]c(C(=O)N3CCC[C@H]3c3ccccc3)c2C1 97172873 HGAKGFYEAMEUMC-INIZCTEOSA-N 310.401 2.375 0 50 DEAA Cc1ccc2nc(CN(C)CCN3CCCCC3=O)[nH]c2c1 244831570 UGHIOJVEYYXGNB-UHFFFAOYSA-N 300.406 2.316 0 50 DEAA O=C(CCc1ccccc1O)N[C@@H]1COc2ccccc2C1=O 181576378 ZOELMHPFZCUDBR-CQSZACIVSA-N 311.337 2.085 0 50 DEAA COc1ccccc1C[C@H](CNC(=O)[C@H]1C[C@H]1C1CC1)C(=O)O 299741774 FZRDUCGFHHDYPJ-ILXRZTDVSA-N 317.385 2.101 0 50 DEAA C[C@@]12CC[C@@H]3[C@H](C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@H]1CCC2=O 257346433 FRPCYGNWEDESDG-SEEUAILQSA-N 322.445 2.045 0 50 DEAA Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 353786951 ONPLUDGFJXDXFC-HNNXBMFYSA-N 321.852 2.391 0 50 DEAA COCCOCC(=O)N1CCC[C@@H]1c1ccc(CN(C)C)cc1 299782552 YKASKTQNDFQUSX-QGZVFWFLSA-N 320.433 2.075 0 50 DEAA CNC(=O)c1ccc(CN(C)[C@H](COC)c2ccccn2)cc1 299785120 JEUNQCTWVGEUBD-QGZVFWFLSA-N 313.401 2.261 0 50 DEAA CN1CCC2(CC1)CN(C(=O)Nc1ccc(F)cc1)CCO2 646162377 VTVAFOFDFALQLZ-UHFFFAOYSA-N 307.369 2.154 0 50 DEAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)NCCCc1nccs1 391125760 OHIHLEPJYOKEEV-UHFFFAOYSA-N 307.375 2.149 0 50 DEAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCCC[C@@H]1CC(=O)O 390937565 IVLOUYBSDPPFSD-OZVIIMIRSA-N 319.357 2.071 0 50 DEAA CC(C)C1=NO[C@H](C(=O)NCCc2nc3ccccc3n2C)C1 827791950 KOOIAGWAPWVDEF-HNNXBMFYSA-N 314.389 2.033 0 50 DEAA CC(C)(C)OC(=O)c1ccc(CN2CCCN(C=O)CC2)s1 585136520 JCJJGWNLRDDHSK-UHFFFAOYSA-N 324.446 2.368 0 50 DEAA CC[C@H](NC(=O)N1CCC(F)(F)CC1)c1ncnn1CC 584890241 CNJMZADBTXEQOF-JTQLQIEISA-N 301.341 2.190 0 50 DEAA COc1cccc2ncn(Cc3cc(C(C)(C)C)n[nH]3)c(=O)c12 584886153 JQYBMZGHRNYVIS-UHFFFAOYSA-N 312.373 2.474 0 50 DEAA CCn1c(=O)c(N2C[C@@H](C)O[C@H](C3CC3)C2)nc2ccccc21 408523596 LPVANDMPRUIXHL-WBMJQRKESA-N 313.401 2.420 0 50 DEAA NC[C@H]1CCCN1C(=O)/C=C/c1ccc(Br)cc1 269200100 XRFBHYLZLBWDKR-OQHXTRMZSA-N 309.207 2.412 0 50 DEAA Cc1nnc(CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)o1 275495117 ADVWPSKNYMEHQQ-CQSZACIVSA-N 301.394 2.327 0 50 DEAA CN(CCOc1cccc(F)c1)C(=O)c1cccc(C(=O)O)n1 170044099 NJYPSPKACWQYTB-UHFFFAOYSA-N 318.304 2.070 0 50 DEAA CC[C@@H](CO)NC(=O)NCc1ncc(-c2ccc(C)cc2)o1 170086492 PWTZHFSNUSDJGE-ZDUSSCGKSA-N 303.362 2.220 0 50 DEAA C[C@H]1OCCC[C@H]1C(=O)N(CCC(=O)O)Cc1ccccc1 668266728 TXJKKYMWPFSLFY-UKRRQHHQSA-N 305.374 2.305 0 50 DEAA Cc1nc(CNC(=O)N(C)CC2(c3ccccc3)CC2)no1 188935705 QNYNZSIUUIYXSY-UHFFFAOYSA-N 300.362 2.251 0 50 DEAA CC(C)(CC(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)C(F)(F)F 640868522 GQLWTEPELVNHBQ-TUAOUCFPSA-N 322.371 2.069 0 50 DEAA CN(C)c1ccc([C@@H]2CCCN2Cc2c(Cl)cnn2C)nn1 643707562 ABZHIWWJHJZRHT-ZDUSSCGKSA-N 320.828 2.267 0 50 DEAA C[C@H]1C[C@H](C(=O)NC2CC(N3CCOCC3)C2)CC(C)(C)C1 585123765 GCVNSUIKHBYRAR-FXQLRMTLSA-N 308.466 2.428 0 50 DEAA CN(C/C=C/c1ccccn1)CC(C)(C)CN1CCOCC1 585117616 NTNRECOJIMQQJW-SOFGYWHQSA-N 303.450 2.385 0 50 DEAA O=C(CCc1cccnc1)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 653328203 FWCJQURKSYFALL-HZPDHXFCSA-N 310.353 2.444 0 50 DEAA Cc1nc([C@@H]2CCN(Cc3cnn(Cc4ccccc4)c3)C2)n[nH]1 665235432 DRKQQHACQYHHDQ-QGZVFWFLSA-N 322.416 2.347 0 50 DEAA O=C(c1cccs1)N1CCCN(CC[C@H]2CCOC2)CC1 980652377 SNLHGKAPOIVURZ-AWEZNQCLSA-N 308.447 2.323 0 50 DEAA O=C(O)[C@H](c1ccccc1)N1CCN(CC2C[C@@H]3C[C@H]3C2)CC1 1616035803 HOVIZXQWMYEJPF-KURKYZTESA-N 314.429 2.476 0 50 DEAA Fc1ccc(CN2CCN3[C@@H](C4CC4)COC[C@H]3C2)c(F)c1 1529167475 LSUDTWNXIYBRAX-NVXWUHKLSA-N 308.372 2.260 0 50 DEAA N[C@@H]1[C@H]2CC[C@@H]1CN(c1noc(-c3ccccc3)c1C(=O)O)C2 1704311075 XCGCABFKUPLZML-IMRBUKKESA-N 313.357 2.213 0 50 DEAA O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CCCN2CCC[C@@H]12 1775983338 KRRYZQKXAUBOCX-GJZGRUSLSA-N 316.401 2.091 0 50 DEAA C=Cc1ccc(N2CCCN(C(=O)Cc3cccnc3)CC2)nc1 1772811632 WCIIFEJWYVZOQI-UHFFFAOYSA-N 322.412 2.401 0 50 DEAA O=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 5900841 MCLYUBBOZKFRFQ-ZDUSSCGKSA-N 324.336 2.376 0 50 DEAA Cc1c([C@@H](C)NC(=O)C2CCOCC2)cnn1-c1ccccn1 12439740 GGYOWEQDNQEVEV-GFCCVEGCSA-N 314.389 2.180 0 50 DEAA O=[N+]([O-])C(/C(Cl)=C(/Cl)N1CCCCC1)=C1\NCCO1 19340642 DOFKHGROBBIIBI-GFULKKFKSA-N 308.165 2.185 0 50 DEAA CCCCN1C(=O)N[C@H](c2ccccc2OC)C2=C1COC2=O 169760804 VMWCGDYCPBASED-OAHLLOKOSA-N 316.357 2.373 0 50 DEAA 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O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 5278200 APGGSFLXHKTUTM-UHFFFAOYSA-N 323.761 2.310 0 50 DEAA Cc1cc(F)c2c(c1)N[C@@H](C(=O)NCCCC1(O)CCC1)C2 2325796180 XRRTTXIOOVUUBK-OAHLLOKOSA-N 306.381 2.282 0 50 DEAA Cc1cc(CN)cc(NC(=O)c2cc(C)nc3c2cnn3C)c1 2325859619 DGMHMFBQADRQGG-UHFFFAOYSA-N 309.373 2.296 0 50 DEAA Cn1nnc2c1CC[C@@H](NCc1cnc3c(F)cccc3c1)C2 865618745 FKRZJPBMBAGXOJ-CYBMUJFWSA-N 311.364 2.150 0 50 DEAA O=C([C@@H]1CCCN1C(=O)OCc1ccccc1)N1CCCC1 57064 VJDNUCLKCQKXMM-HNNXBMFYSA-N 302.374 2.410 0 50 DEAA CCN(CC)C(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1980765 NWBYJAGOPGKGBF-UHFFFAOYSA-N 319.430 2.205 0 50 DEAA O=C(CCc1nc2ccccc2[nH]c1=O)NCc1ccccc1 3248779 IOBDSKSRWQMRDO-UHFFFAOYSA-N 307.353 2.172 0 50 DEAA Cc1cccnc1CN1CCN(c2ncc(Cl)cc2N)CC1 2356164155 HLIDGQKCIRCQNL-UHFFFAOYSA-N 317.824 2.343 0 50 DEAA O=C(C[C@@H]1SCCNC1=O)Nc1ccc2ccccc2c1 4502332 FAQJKYXFXPYNEX-AWEZNQCLSA-N 300.383 2.400 0 50 DEAA CN(C)c1nc(SCCOc2ccccc2)nc(N(C)C)n1 6178043 OZXSCMSTTKORCL-UHFFFAOYSA-N 319.434 2.175 0 50 DEAA COC(=O)c1cc(C)sc1NC(=O)c1c(Cl)cnn1C 6700383 PFFRKQSGAJARRD-UHFFFAOYSA-N 313.766 2.482 0 50 DEAA Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100698584 WXZZVLGELIAGPE-MGBSGCIJSA-N 324.380 2.131 0 50 DEAA CC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 245935161 PYUFFMZAXHSHLB-LEWSCRJBSA-N 303.358 2.045 0 50 DEAA CCOc1cncc(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n1 343222318 KXBAWPBUCMRTTL-UONOGXRCSA-N 303.337 2.327 0 50 DEAA C[C@@H](c1cccc(Br)c1)N1CCN(CCO)CC1 119753559 UNMNNTDLINLMFP-LBPRGKRZSA-N 313.239 2.120 0 50 DEAA CCCc1noc(CN2CCN(c3cccc(C)n3)C[C@H]2C)n1 248114687 RWRBSNCQINTAOS-CQSZACIVSA-N 315.421 2.436 0 50 DEAA CCc1nnc(CNC(=O)[C@@H](c2cccc(C)c2)N(C)C)s1 65405568 OVEGOBWFQJIVSN-OAHLLOKOSA-N 318.446 2.328 0 50 DEAA CC(C)c1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)no1 1365026903 MHKKZBDOUFINEN-ZCFIWIBFSA-N 317.271 2.426 0 50 DEAA Cc1ccccc1OCc1noc([C@H]2C[C@H]2C(=O)N(C)C)n1 351423130 HKOJDGZDRQZSHI-NWDGAFQWSA-N 301.346 2.149 0 50 DEAA Cc1cc(C)nc(N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)n1 65382439 SKLUWBSCXVGFLR-CQSZACIVSA-N 302.422 2.321 0 50 DEAA CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2 896557 MFWNKCLOYSRHCJ-KBPBESRZSA-N 312.417 2.318 0 50 DEAA biogenic,fda O=C(NCc1cccnc1-n1cnc2ccccc21)[C@@H]1CCOC1 11817392 CRRSCTDWEUKNRP-CQSZACIVSA-N 322.368 2.073 0 50 DEAA CC1(C)C(O)=N[C@H]1C1CCN(C[C@@](C)(O)C(F)(F)F)CC1 328597722 IVSSNGWCGJYRRY-GXFFZTMASA-N 308.344 2.377 0 50 DEAA CNc1ccc(Cl)c(C(=O)N2CC(=O)N(CC3CC3)C2)c1 329224450 ZROGOXVXAOZKIY-UHFFFAOYSA-N 307.781 2.034 0 50 DEAA CC(C)(C(=O)Nc1nnn[nH]1)c1csc(-c2cccs2)n1 253397095 DSLQGOHROPJRPK-UHFFFAOYSA-N 320.403 2.301 0 50 DEAA CC(C)n1cc(C(=O)N[C@@H](c2ccccc2)c2nnc[nH]2)cn1 253420783 LSCFYBOFNFQHTQ-AWEZNQCLSA-N 310.361 2.102 0 50 DEAA CC[C@H]1CN(Cc2ccc(O)c(C(=O)OC)c2)CCN1C(C)C 72138929 YRCYOEWJEQLDPP-HNNXBMFYSA-N 320.433 2.483 0 50 DEAA CCNC(=O)C[C@@H]1CCCCN1C(=O)C[C@H]1CCO[C@H](CC)C1 330579114 SKUHLCDSDGBEHH-HRCADAONSA-N 324.465 2.489 0 50 DEAA CCO[C@@H]1COCC[C@H]1NC(=O)COc1ccccc1Cl 219484030 OASNZJPOVWVHIX-TZMCWYRMSA-N 313.781 2.029 0 50 DEAA Cc1cc2c(N3C[C@H](O)C[C@H]3c3cccc(F)c3)nccn2n1 281625245 HVAMEUBWWSKFBX-CABCVRRESA-N 312.348 2.489 0 50 DEAA Cc1cc2c(cc1-n1ccnc1-c1[nH]cnc1C)n(C)c(=O)n2C 77439217 YZRUBUVMYKWFRO-UHFFFAOYSA-N 322.372 2.070 0 50 DEAA CC(C)(C)c1n[nH]cc1CN[C@H]1CS(=O)(=O)c2ccccc21 367704546 OSDDNVHBPVQEOU-ZDUSSCGKSA-N 319.430 2.325 0 50 DEAA Cn1cnnc1[C@@H]1CCCN1C(=O)c1cccc2ccc(O)nc12 367972778 FDCGBZBGWXAXSK-ZDUSSCGKSA-N 323.356 2.046 0 50 DEAA Cc1ccc2ncc(C(=O)N3CCC(C(F)F)CC3)c(=O)n2c1 332514482 JLFUQDWSAQNHGT-UHFFFAOYSA-N 321.327 2.120 0 50 DEAA CCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H](O)CN3)n2)cc1 377154149 XPRBXRSYJSSOFQ-OLZOCXBDSA-N 317.414 2.034 0 50 DEAA c1ccc(CN2CCN(c3cnc4ccccc4n3)CC2)nc1 41873179 ARVCYAVYSNYODO-UHFFFAOYSA-N 305.385 2.347 0 50 DEAA Cc1nccn1CCCNC(=O)CSc1ccc(O)cc1 282373667 CFBDDNNTZXBCDW-UHFFFAOYSA-N 305.403 2.196 0 50 DEAA CC(C)Oc1ccc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)c(F)c1 282886966 BSQYGURVGKMIGG-SNVBAGLBSA-N 318.352 2.475 0 50 DEAA COCC(C)(C)C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 378267802 MPZBFDVMBBZVTD-LBPRGKRZSA-N 307.394 2.326 0 50 DEAA COc1ccc([C@@H]2CCN(c3ncnc4c3CN(C)CC4)C2)cc1 222193575 ZTDSIGWGSUFYBH-OAHLLOKOSA-N 324.428 2.467 0 50 DEAA C[C@@H](CCc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)O)C1 237325204 FUXDDTGFIHMNKY-WFASDCNBSA-N 323.364 2.097 0 50 DEAA O=C(NCCc1cccnc1)[C@H]1CCCN(Cc2ccco2)C1 95361235 KHLSADQUPOVURM-INIZCTEOSA-N 313.401 2.246 0 50 DEAA CC(C)N1CCO[C@H](CC(=O)NCCc2ccc(Cl)cc2)C1 97815094 VLOGIKQDSMHYJR-MRXNPFEDSA-N 324.852 2.498 0 50 DEAA CC(C)NC(=O)c1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1 236701341 HRIATXSATIUGGT-INIZCTEOSA-N 311.385 2.463 0 50 DEAA NC[C@@H]1CCCN1C(=O)/C=C/c1csc(Br)c1 237961689 IFOHTXNWLNNGJA-FSIBCCDJSA-N 315.236 2.474 0 50 DEAA CC(C)Oc1cccc(F)c1-c1ccc(N(C)CCO)nn1 97495432 KWKSFVKUWCXZCS-UHFFFAOYSA-N 305.353 2.498 0 50 DEAA COc1cccn(CC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1=O 95499605 YOGMVDOGEPODCK-FZKQIMNGSA-N 318.417 2.284 0 50 DEAA C[C@@H]1CCCN(c2cc(C(=O)NCC3CCOCC3)ccn2)C1 291624308 FQZHXWFYBHNQTO-CQSZACIVSA-N 317.433 2.474 0 50 DEAA CCc1cccc(OC2CN(C(=O)[C@H]3CC[C@@H](O)CC3)C2)c1 251998458 LOLMNEJBVSYZQR-GASCZTMLSA-N 303.402 2.390 0 50 DEAA CO[C@H](CNC(=O)c1cc(C2CC2)[nH]c(=O)c1)c1ccccc1 184057817 GJHHAILOMYRGEY-MRXNPFEDSA-N 312.369 2.370 0 50 DEAA O=C(O)CC[C@@H]1CCCCN1C(=O)[C@@H]1COc2ccccc21 299741855 HIBJVFYWKHTTGN-GXTWGEPZSA-N 303.358 2.409 0 50 DEAA O=C(O)CNC(=O)NCC[C@@H](c1ccccc1)c1ccco1 828018582 ZDWAPJWTKDSNAC-ZDUSSCGKSA-N 302.330 2.185 0 50 DEAA CCNC(=O)c1ccc(NC(=O)c2cc3ncccn3n2)c(C)c1 823128392 FCELAZAILNXNHT-UHFFFAOYSA-N 323.356 2.040 0 50 DEAA CC(C)N1CC[C@H](CN(C)Cc2nc(C(F)(F)F)no2)C1 823719886 WZTSVMYSEMKHRF-SNVBAGLBSA-N 306.332 2.251 0 50 DEAA CNc1cc(N2CCC[C@@H]2CNc2ncccc2F)ncn1 267802006 QHGCPUXATBHMOR-LLVKDONJSA-N 302.357 2.133 0 50 DEAA O=C(Nc1ccc(OC2CCCC2)nc1)C1(CO)CCOCC1 408520226 VNZCPBXDQGWYND-UHFFFAOYSA-N 320.389 2.131 0 50 DEAA COC(=O)c1cncc(C(F)(F)F)c1OCc1ccon1 408518773 ZARRTJPSNGKLCS-UHFFFAOYSA-N 302.208 2.454 0 50 DEAA C[C@H](NC(=O)CCCN1CCCCC1)[C@H](O)c1ccc(O)cc1 1565510932 NXDGRMIGFJHRPP-KSSFIOAISA-N 320.433 2.196 0 50 DEAA CCC[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)O 1565528046 DRJHUHBRADJWKP-KBPBESRZSA-N 303.358 2.194 0 50 DEAA OCc1nc2[nH]cc(I)c2cc1Cl 77011251 TUEZVWHQTVVJNT-UHFFFAOYSA-N 308.506 2.313 0 50 DEAA in-vitro CCN1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)[C@H](C)C1 269498417 KWQDCMHAIUAIRC-OIISXLGYSA-N 303.450 2.265 0 50 DEAA C[Si](C)(C)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 170621453 KIUWVWXOGJZKRT-OAHLLOKOSA-N 304.422 2.094 0 50 DEAA Cn1nncc1CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 666025070 MAHQZTSNCIMOFB-AWEZNQCLSA-N 304.781 2.375 0 50 DEAA CO[C@@H]1C[C@@H](NC(=O)Cc2ccc(C(=O)O)cc2)C12CCC2 634806440 BFPVKRHYHWULFI-ZIAGYGMSSA-N 303.358 2.001 0 50 DEAA Cc1ccc(C)c(OC2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)c1 188431985 UNYCVGCPWGWYDM-GOEBONIOSA-N 320.408 2.373 0 50 DEAA CN(C)C(=O)N1CCC(NC[C@H]2CCO[C@@H]2C(C)(C)C)CC1 189234745 KFHQYMZJTFYXAL-HIFRSBDPSA-N 311.470 2.173 0 50 DEAA C[C@H](c1nnnn1C)N1CCC(OCc2ccc(F)cc2)CC1 189804681 ZIIWLOAADZEXJA-GFCCVEGCSA-N 319.384 2.091 0 50 DEAA Cn1cnc(=O)n1CCOC(c1ccccc1)c1ccccc1 581923598 FDGNYLKEHUJRNS-UHFFFAOYSA-N 309.369 2.388 0 50 DEAA CCSc1ccc([C@@H](C)NC(=O)[C@H]2C[C@H](OC)CN2)cc1 191922723 XMGODJUNUAQXCI-OSAQELSMSA-N 308.447 2.353 0 50 DEAA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccn(C)n1 585079677 WFKSOXNLEVZNLU-YOEHRIQHSA-N 310.401 2.177 0 50 DEAA Cc1n[nH]c(C)c1CC(=O)N1CC(Nc2ccc(F)cc2)C1 585131302 RFOYNBMDHBZZSH-UHFFFAOYSA-N 302.353 2.031 0 50 DEAA CCc1nc([C@H](C)N2Cc3ccccc3[C@H](C(=O)O)C2)n[nH]1 662226754 PLBQDANXQLEZRD-GXFFZTMASA-N 300.362 2.112 0 50 DEAA C[C@H](C1CC1)n1cc(NC(=O)N2CCC3(CCNCC3)C2)cn1 1614994030 JLCDMUOESLRMGK-CYBMUJFWSA-N 317.437 2.462 0 50 DEAA CC1=CC2(CCN(CC[C@H]3CCS(=O)(=O)C3)CC2)OCC1 1704339069 NNFYUJZGMYKOKY-HNNXBMFYSA-N 313.463 2.012 0 50 DEAA NC[C@H]1CCCN1C(=O)c1ccc(F)cc1Br 122316147 JJWOEDBASLRJTF-SECBINFHSA-N 301.159 2.152 0 50 DEAA Cc1cc(Cl)ccc1OCCN(C)c1nnc(CCN)o1 1772706649 OLLCJUNHOFBETN-UHFFFAOYSA-N 310.785 2.048 0 50 DEAA COc1cc(CNC2CC2)ccc1OCC(=O)NC(C)(C)C 5205671 KARXVMFCSRHWIG-UHFFFAOYSA-N 306.406 2.241 0 50 DEAA CSc1nc2ncc3c(=O)n(C4CCCC4)ccc3n2n1 12390273 RCVMTFKWQMHIBJ-UHFFFAOYSA-N 301.375 2.276 0 50 DEAA COC[C@@H](O)CNc1nncc(-c2cccc3ccccc23)n1 12582517 MIKNNYKLORNWJG-ZDUSSCGKSA-N 310.357 2.111 0 50 DEAA CC(C)N1CCC(N2CCC[C@@H](C(=O)NC3CCC3)C2)CC1 12752157 QAKICANVQFAODI-OAHLLOKOSA-N 307.482 2.240 0 50 DEAA CCCCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1 16624931 OPKFKLWWLQFZBO-UHFFFAOYSA-N 312.435 2.293 0 50 DEAA COCCn1ccnc1CN(C)CCn1cnc2ccccc21 1857677512 FTUXBFVPJSLKIX-UHFFFAOYSA-N 313.405 2.011 0 50 DEAA C[C@H]1CN2C[C@H](NC(=O)Nc3cccc(Cl)c3)C[C@H]2CO1 1857725161 LBSUAQRBHASRHH-GDLCADMTSA-N 309.797 2.323 0 50 DEAA O=C(CCc1nn[nH]n1)N1CCC[C@@H]1c1ccc(Cl)cc1 630691255 PXRGLXNUEDRULY-GFCCVEGCSA-N 305.769 2.149 0 50 DEAA C[C@](O)(CN1CCO[C@H](c2cccc(O)c2)C1)C(F)(F)F 330410548 YTBQHXKZKZLRHY-STQMWFEESA-N 305.296 2.079 0 50 DEAA Cc1nn(C)c(C)c1C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 407982257 XIEFRASJUZBWRQ-GJZGRUSLSA-N 317.364 2.124 0 50 DEAA Cc1csc(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)c1 412595863 YCNVLBNTRPTPCC-QGZVFWFLSA-N 314.410 2.326 0 50 DEAA CCc1nc(C)cc(N2CCN(C(=O)c3ccccc3)CC2)n1 225816007 GTGPUQCBEQYZFX-UHFFFAOYSA-N 310.401 2.310 0 50 DEAA C[C@@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 120988009 KYAAPAACKFCXIL-LLVKDONJSA-N 316.382 2.098 0 50 DEAA Cc1c([C@@H](C)NCc2cnn(C)c2)nnn1-c1ccc(F)cc1 151152065 DZCWRPYUXAQKQG-LLVKDONJSA-N 314.368 2.299 0 50 DEAA O=C1C[C@H](Cc2nc(Cc3cn[nH]c3)no2)c2ccccc2N1 904113444 NVBQBNFFFKNLBA-LLVKDONJSA-N 309.329 2.052 0 50 DEAA Cc1ccccc1OCCCN(C)C(=O)[C@H]1CCCC(=O)N1C 906348940 IWQAZXJEWPVICT-OAHLLOKOSA-N 318.417 2.233 0 50 DEAA COc1cc([C@@H](C)NS(=O)(=O)N(C)C)cc2ccccc12 908343600 ZRISXOPOIZPFSB-LLVKDONJSA-N 308.403 2.305 0 50 DEAA Cc1ccc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)cc1Cl 952993444 NGVJFRZWMABGAU-UHFFFAOYSA-N 313.806 2.412 0 50 DEAA OCc1cc(-c2nc(C3CCNCC3)cs2)c(CO)cc1F 1875290190 DUTVCZSZGGPSNB-UHFFFAOYSA-N 322.405 2.401 0 50 DEAA O=C(Nc1cnc(Cl)c(F)c1)N1CCN(CC2CC2)CC1 1875296990 YBCZALMNXGBADD-UHFFFAOYSA-N 312.776 2.434 0 50 DEAA CCN=c1[nH]c(C)c(C(=O)N[C@H](C)c2cnn(C3CC3)c2)s1 1875296248 MLADROMSZHABBY-SECBINFHSA-N 319.434 2.328 0 50 DEAA Cn1c(CN2CCC[C@@H]2c2ccc(N)nn2)nc2ccccc21 886080345 MWKMMDMLNGSYKO-OAHLLOKOSA-N 308.389 2.283 0 50 DEAA Cc1cc(N2CCO[C@@H](c3nnc(C)o3)C2)nc(C2CCC2)n1 893554347 VCKBZPXVEHQNHB-CYBMUJFWSA-N 315.377 2.322 0 50 DEAA O=C(O)C[C@@H]1COCCN1C(=O)c1cccc(Cl)c1Cl 129373269 NHOLKZBJHCVNPG-MRVPVSSYSA-N 318.156 2.309 0 50 DEAA O=C(NCc1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C1=O 299312047 CHIHZOKIHBMLGH-QGZVFWFLSA-N 323.396 2.287 0 50 DEAA Cc1cc(C)c2c(c1)N(C(=O)[C@H]1C[C@H](n3ccnn3)C1)CCO2 2325773722 YEBZIOFEFZRRSG-HDJSIYSDSA-N 312.373 2.272 0 50 DEAA Cc1cccn2c(=O)cc(NC[C@H](c3ccco3)N(C)C)nc12 2325789096 NSBLWZDIPPYAHB-CYBMUJFWSA-N 312.373 2.311 0 50 DEAA NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 379550 QHNOMHJCCRAUFO-UHFFFAOYSA-N 324.789 2.021 0 50 DEAA COC(=O)Nc1ncc(CN2C(=O)c3ccccc3C2=O)s1 1062242 JMWAVUFYSOMGOI-UHFFFAOYSA-N 317.326 2.118 0 50 DEAA Cc1cc(N2CCc3nc(-c4ccccc4)nn3CC2)ncn1 2356138612 PBQZZHPYXQVOHQ-UHFFFAOYSA-N 306.373 2.106 0 50 DEAA CN1CCC[C@@]2(CCCN2C(=O)c2cc(F)cc(F)c2)C1=O 2356152078 PXIKZSXMUVGWIE-MRXNPFEDSA-N 308.328 2.192 0 50 DEAA O=C1C[C@@H](NCCc2cccc(F)c2)C(=O)N1c1ccccc1 4873022 GKIIZNONGTZYMS-MRXNPFEDSA-N 312.344 2.290 0 50 DEAA CC(=O)N1N=C(c2c(O)cc(C)oc2=O)C[C@@H]1c1ccccc1 170625900 OMDAQRLBLMGVKC-CQSZACIVSA-N 312.325 2.351 0 50 DEAA COc1ccc(OC)c(N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1 100636390 LUWPAVDRGWNLNI-KUDNYVPYSA-N 313.353 2.405 0 50 DEAA COc1ccc(F)c(NC(=O)C(=O)N(CC(F)F)C(C)C)c1 134491046 QJAIENSSLFYNQG-UHFFFAOYSA-N 318.295 2.275 0 50 DEAA Sc1nnc([C@H]2CCCO2)n1-c1ccc2c(c1)OCCO2 20745485 NKMZRCLETSSJJO-LLVKDONJSA-N 305.359 2.179 0 50 DEAA Cc1ccc(CN2CCN(C3CCOCC3)C[C@@H]2CCO)cc1 20351150 AJCHBOPBFNXIGM-IBGZPJMESA-N 318.461 2.043 0 50 DEAA C=Cn1cc(CN[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cn1 249037938 TYWAIWXSPAQGAF-MAUKXSAKSA-N 311.433 2.379 0 50 DEAA CNc1nc(-c2ccc(S(C)(=O)=O)cc2)nc2c1CCC2 65370189 ALRBDMOCYWOSIR-UHFFFAOYSA-N 303.387 2.078 0 50 DEAA C[C@@H]1C[C@H]1COC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 119995007 BNKLUFSZPHPSBQ-SCZZXKLOSA-N 304.371 2.035 0 50 DEAA COC[C@@]1(C(=O)O)CCN(Cc2cc(-c3cccs3)on2)C1 319038766 AVRHENFCOZEIID-OAHLLOKOSA-N 322.386 2.326 0 50 DEAA COc1cccc(-c2cc(C(=O)NC[C@@H]3CCCO3)on2)c1 6872286 XBHZRHGSPMQHNY-ZDUSSCGKSA-N 302.330 2.259 0 50 DEAA CCn1c(S)nnc1-c1nn(C)c(C)c1Br 8339818 XVSGTILNPDGWGU-UHFFFAOYSA-N 302.201 2.058 0 50 DEAA COC(=O)CCCN(C)C(=O)c1cc2cc(Cl)ccn2n1 253406076 VOQBYGFVQPTJTJ-UHFFFAOYSA-N 309.753 2.013 0 50 DEAA Nc1cc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc(Cl)n1 363141333 UQOOKXOJJGZRRN-UHFFFAOYSA-N 314.736 2.355 0 50 DEAA CCC(=O)c1ccc(OCC(=O)N[C@H]2CC[C@H]2NC(C)C)cc1 72164709 ZIBVQAGDCJDWED-CVEARBPZSA-N 318.417 2.303 0 50 DEAA Cc1noc([C@@H]2CCN(C(=O)COc3ccc(F)cc3F)C2)n1 331642594 XOGJBELMTGMMLH-SNVBAGLBSA-N 323.299 2.051 0 50 DEAA 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O[C@H](CNC1(c2ccc(F)cc2)CCCC1)Cn1cccn1 170970708 KXOVJLYYGAGQMN-MRXNPFEDSA-N 303.381 2.442 0 50 DEAA COc1ccc(CN2CC[C@@H](Oc3cccc(F)c3)C2)nn1 669933074 DLHRUUUPGINWAZ-OAHLLOKOSA-N 303.337 2.278 0 50 DEAA Cc1ccc2c(c1)nc(CNC(=O)CN1CCC(C)(C)C1)n2C 583390113 FXFNOYYLFXPBCT-UHFFFAOYSA-N 314.433 2.230 0 50 DEAA CO[C@@](C)(C(=O)NCc1cc(C)nc(O)c1)c1ccccc1F 585088284 SQNGEWOMGVRRQR-QGZVFWFLSA-N 318.348 2.413 0 50 DEAA C[C@@H](NC(=O)N1CCCO1)c1cccc(N2CCCC2=O)c1 585085258 MWZTXWPFKKBNCF-GFCCVEGCSA-N 303.362 2.221 0 50 DEAA C[C@H]1CCCN(C(=O)c2cc3c(nc2O)CCC[C@@H]3O)CC1 585121910 FWBNJESFSXMTPK-NHYWBVRUSA-N 304.390 2.419 0 50 DEAA O=C1C[C@H](Cc2ccccc2)C(=O)N1C[C@@H](O)c1ccccc1 191402641 LNFKXJVPGGJBGS-DLBZAZTESA-N 309.365 2.338 0 50 DEAA CC(C)(C)CN(CC(=O)O)C(=O)c1ccc(-n2cccn2)cc1 659785620 YQBILYYGCHJPGO-UHFFFAOYSA-N 315.373 2.445 0 50 DEAA c1cnc2sc(CN3CCC[C@H](n4ccnn4)C3)nc2c1 1615045412 ZNZRLOYWCQKMGG-NSHDSACASA-N 300.391 2.120 0 50 DEAA COc1ccc([C@@H]2CC(=O)N(C/C=C/Cl)C(=O)N2)cc1OC 1615548868 NVGCHRKEQBGGDP-GQOHGMTASA-N 324.764 2.439 0 50 DEAA Cn1ccc(-c2nc(CNC(=O)[C@H]3CCCSC3)cs2)n1 1616039471 XRTSUEYWAYUZOE-JTQLQIEISA-N 322.459 2.303 0 50 DEAA CC(C)c1cc(C(=O)N(Cc2ccncc2)C2CC2)nc(N)n1 1506418184 VKFIXASGBYVIFP-UHFFFAOYSA-N 311.389 2.382 0 50 DEAA COc1cccc([C@H]2CN(Cc3cccnc3)C[C@@H]2C(=O)O)c1 212910060 AJTJOAUWRGFRGB-SJORKVTESA-N 312.369 2.390 0 50 DEAA O=C(CCCc1c[nH]nn1)NCc1ccc(Br)cc1 225615612 RYFTYOHVJSSACJ-UHFFFAOYSA-N 323.194 2.206 0 50 DEAA C[C@@]1(O)CCOC2(CCN(CC(=O)Nc3ccccc3)CC2)C1 1704302837 DMTXJEXLTQMECJ-QGZVFWFLSA-N 318.417 2.021 0 50 DEAA O=C(c1cc(-c2ccsc2)[nH]n1)N1CCC[C@@H]1C1(O)CC1 1772810967 QJJLVRVZJYLWIB-CYBMUJFWSA-N 303.387 2.268 0 50 DEAA CCCCc1ccc(C(=O)N2CCOC[C@H](C(=O)O)C2)cc1 1775981936 YRXCTWRLENYJOF-OAHLLOKOSA-N 305.374 2.202 0 50 DEAA CC(C)(C)NC(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12111738 WYGBNUJQIGLLCX-AWEZNQCLSA-N 321.396 2.067 0 50 DEAA CC(=O)Nc1ncc(S(=O)(=O)Nc2ccccc2F)s1 12379814 UWBRRTIVCLNKSM-UHFFFAOYSA-N 315.351 2.041 0 50 DEAA COc1ccccc1CNCc1ccc2c(c1)n(C)c(=O)n2C 13688660 YLMXKIZVUGBFDN-UHFFFAOYSA-N 311.385 2.175 0 50 DEAA Fc1ccccc1-c1noc(-c2nc(-c3cnccn3)no2)n1 169759360 IDUQLOPSMSYFOD-UHFFFAOYSA-N 310.248 2.383 0 50 DEAA CN(Cc1ccsc1)C(=O)c1ccn([C@H]2CCCNC2)n1 328619825 GGLGBXATVMDODE-ZDUSSCGKSA-N 304.419 2.141 0 50 DEAA Cc1ccc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)cc1O 331370917 BQUTUGFAAJCWEK-AWEZNQCLSA-N 305.374 2.159 0 50 DEAA Cc1nc2ccc(N3CCC[C@H]3c3c(C)nn(C)c3C)nn2n1 252497210 QBOQXCPOBPEXBN-ZDUSSCGKSA-N 311.393 2.125 0 50 DEAA C[C@H](CC(=O)NC[C@]1(O)CCCC(C)(C)C1)N1CCCCC1=O 252479501 BGLULOSZIUEGGU-KDOFPFPSSA-N 324.465 2.225 0 50 DEAA Cc1noc(CNC(=O)N2CC[C@@H](Cc3ccccc3)C2)n1 363292698 ZOVVUMBVEKZKLI-AWEZNQCLSA-N 300.362 2.152 0 50 DEAA Cc1ccoc1C(=O)N1CCNC(=O)[C@H]1c1ccccc1F 372347144 JWQVHZIBMXOOAR-CYBMUJFWSA-N 302.305 2.040 0 50 DEAA CC(C)OCC(=O)N=c1nc(-c2ncccc2Cl)[nH]s1 585124941 ASBZQHVJXLJUNZ-UHFFFAOYSA-N 312.782 2.039 0 50 DEAA Cc1ccc(N2CCC[C@]3(CCc4cnc(N(C)C)nc43)C2)nn1 1704325688 LNWKHZDPJLEHSP-SFHVURJKSA-N 324.432 2.125 0 50 DEAA O=C(O)[C@@H]1CCCN(C(=O)[C@H]2CCCc3c(O)cccc32)C1 908591685 BFVNELYQXCDDEF-RISCZKNCSA-N 303.358 2.135 0 50 DEAA COc1cc(NC(=O)C23CCC(C(=O)O)(CC2)C3)cnc1OC 910802152 BANIHGOZFUTSHE-UHFFFAOYSA-N 320.345 2.072 0 50 DEAA Cc1cc(-n2cccn2)ccc1NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 867723116 WXTVGEALJOIRQI-IAQYHMDHSA-N 312.373 2.034 0 50 DEAA CC[S@](=O)(=NC(=O)Cn1ccc(C(F)(F)F)n1)C(C)C 1875297087 BTSPXUGVIOHTDB-HXUWFJFHSA-N 311.329 2.325 0 50 DEAA C[C@]1(C(=O)NS(=O)(=O)CCc2ccc(Cl)cc2)C[C@H]1F 1875266434 YWFLVFZQBFMUBH-YPMHNXCESA-N 319.785 2.077 0 50 DEAA O=C([C@@H]1CC1(F)F)N1CCCC[C@H](Cn2cc(C3CC3)nn2)C1 1875323847 VHZBDGNPHFFAFH-AAEUAGOBSA-N 324.375 2.439 0 50 DEAA N[C@@H](C(=O)NCc1cnc(O)c2ccccc12)C1=CC[C@H]2C[C@H]2C1 1875304348 HZCKWEHKZKUWCB-PLQHRBFRSA-N 323.396 2.240 0 50 DEAA C[C@H]1[C@@H](CC(F)(F)F)C[C@@H](C)N1c1nnnn1[C@@H]1CCOC1 1875392190 ZOZACLUKYSCRHD-LMLFDSFASA-N 319.331 2.190 0 50 DEAA O=C(CC1CCC=CCC1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875400807 MVRKHVKOQRCYON-GVDBMIGSSA-N 317.433 2.275 0 50 DEAA CC(C)c1nnc(CNC(=O)[C@H]2CCCO[C@@H]2C(C)C)n1C 886048345 XHNVCBBRYQVHQH-GXTWGEPZSA-N 308.426 2.006 0 50 DEAA Cn1nc(Br)cc1-c1nnc([C@@H]2CCCOC2)o1 886084593 MZFCVNNPUZDLOG-SSDOTTSWSA-N 313.155 2.127 0 50 DEAA O=C1COc2ccc(C(=O)N3CC[C@H]3C3CCCC3)cc2N1 889395365 XPTHAJFAMOMTNR-AWEZNQCLSA-N 300.358 2.422 0 50 DEAA CCN(CC)C[C@@H]1CCN(C(=O)NC2CCC3(CC2)COC3)C1 896478530 XKVZAHVDPOPRFI-HNNXBMFYSA-N 323.481 2.319 0 50 DEAA CN(CCNc1ccccn1)c1ncc(Br)cn1 1775989258 ISGGTCCEVDQYPY-UHFFFAOYSA-N 308.183 2.182 0 50 DEAA CC(C)(C)C[C@H](CC(=O)O)NS(=O)(=O)c1ccsc1 285297971 XXUDPPNLRXEMRJ-VIFPVBQESA-N 305.421 2.306 0 50 DEAA O=C(Nc1cnc(Br)cn1)Nc1c[nH]nc1C1CC1 2325781789 MEXSBAQPTPVZDL-UHFFFAOYSA-N 323.154 2.484 0 50 DEAA CC[C@H](SC1=NCCS1)C(=O)Nc1nnc(C)s1 52403 AMZITHMTGOZJMB-ZETCQYMHSA-N 302.450 2.400 0 50 DEAA NC1=NC(=O)C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)S1 173279 UGPOEAGTLHWWNL-QMMMGPOBSA-N 318.185 2.279 0 50 DEAA CCn1cncc1CN1CCC[C@]12CCCN(C1CC1)C2=O 2356135366 BALHVUREWKIVMR-QGZVFWFLSA-N 302.422 2.022 0 50 DEAA CCCNS(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1 1891241 TXEMJXIXBLCUBD-UHFFFAOYSA-N 319.386 2.022 0 50 DEAA COc1ccc(I)c(C=O)c1OC(C)=O 2546570 SDBKONQUTHFNNP-UHFFFAOYSA-N 320.082 2.038 0 50 DEAA CCCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 7758987 VJRCFPQAHXGHNJ-UHFFFAOYSA-N 310.419 2.001 0 50 DEAA Cc1ccccc1CNC(=O)c1cccc(NS(C)(=O)=O)c1 10314950 LMLZVSBQDKLYEU-UHFFFAOYSA-N 318.398 2.297 0 50 DEAA O=C(C[C@@H]1Nc2ccccc2OC1=O)NCCc1ccccc1 9668938 OMNULOHZAQNEIB-HNNXBMFYSA-N 310.353 2.135 0 50 DEAA OCCc1cn(C2CCN(CCCc3ccccc3)CC2)nn1 55393414 PYEXHUDDJDHGJG-UHFFFAOYSA-N 314.433 2.083 0 50 DEAA CO[C@H]1COC[C@@H]1NC(=O)CSCc1ccccc1Cl 55358637 PFWGZWMAWOOYGS-STQMWFEESA-N 315.822 2.103 0 50 DEAA CCn1nc(C)c([C@H](C)Nc2cc(CCN)nc(C)n2)c1C 67886098 RFOZGORPTQSCRE-JTQLQIEISA-N 302.426 2.293 0 50 DEAA O=C(NC1CC1)[C@H](c1ccccc1)N1CCCN2CCC[C@H]2C1 247732274 IHHZUQGOKSFLHF-ROUUACIJSA-N 313.445 2.176 0 50 DEAA O=C(C[C@@]1(O)C(=O)Nc2ccc(F)cc21)c1ccccc1F 21651360 QXNJZMUGJIHCCV-INIZCTEOSA-N 303.264 2.378 0 50 DEAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc(C(F)(F)F)nc1 229398142 WYWTWOQUNMEPKA-NEPJUHHUSA-N 313.323 2.457 0 50 DEAA Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1 975 AKNQMEBLVAMSNZ-UHFFFAOYSA-N 300.145 2.485 0 50 DEAA biogenic,in-man CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccc(Cl)o1 252669640 IFTZZVKSCDJEBZ-ZYHUDNBSSA-N 320.842 2.083 0 50 DEAA Cc1occc1C(=O)N1N=C(C2CC2)C[C@@]1(O)C(F)(F)F 4124142 SQLLDJRHHYJLEY-GFCCVEGCSA-N 302.252 2.451 0 50 DEAA COc1ccc(C(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)c(C)c1 72161969 CMSZSXMMUQCYAC-KRWDZBQOSA-N 318.373 2.060 0 50 DEAA CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)CC(=O)N2 4944199 MQDYAQSVZBFGMZ-JTQLQIEISA-N 319.361 2.495 0 50 DEAA O=C(NC[C@@H]1CC=CCC1)N1CCC[C@H](Cn2ccnn2)C1 123805707 XKCSPTJPJCHRFI-CABCVRRESA-N 303.410 2.056 0 50 DEAA COc1cc(I)cnc1Br 35270362 RAUFNFDODWPVMT-UHFFFAOYSA-N 313.920 2.457 0 50 DEAA in-vitro Cc1nnsc1C(=O)N1CC[C@@H](n2ncc3ccccc32)C1 253420468 JUKKZFKWRHWDON-GFCCVEGCSA-N 313.386 2.283 0 50 DEAA Cc1cc(N2CCO[C@@H](C(F)(F)F)C2)n2nc(C)c(C)c2n1 72454463 ZEORHOIFZLUAAU-LLVKDONJSA-N 314.311 2.422 0 50 DEAA Cc1csc(CN(C)C2CCN(CCn3cccn3)CC2)n1 130519416 LRGJUSHOCWJEAI-UHFFFAOYSA-N 319.478 2.244 0 50 DEAA CN1CCC([C@@H]2CCN(C(=O)[C@H](O)C3CCCCC3)C2)CC1 364840734 RFWQZUPABRQUDG-IAGOWNOFSA-N 308.466 2.118 0 50 DEAA Cn1ccnc1[C@@H]1CCCN(C(=O)Cc2cn3ccccc3n2)C1 365565926 CKZKUOJIIQSUCM-CQSZACIVSA-N 323.400 2.017 0 50 DEAA CCOc1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)o1 219534215 QNRVREYFDRLFDG-CQSZACIVSA-N 322.405 2.005 0 50 DEAA O=C(c1cc[nH]c(=O)c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 127002401 ISBGNOANAQTSBJ-ZDUSSCGKSA-N 300.333 2.219 0 50 DEAA CN1CCCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 13323089 IZYFRIYFNIIZEI-UHFFFAOYSA-N 316.323 2.248 0 50 DEAA O=C(CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NCC1CCCCC1 333485482 YLRNNZXFZLIKEN-UAGQMJEPSA-N 306.450 2.230 0 50 DEAA O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cccnc1S 131111962 OENSHUABOYPFEX-HZMBPMFUSA-N 310.444 2.155 0 50 DEAA CO[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C)c2csnn2)C12CCC2 334130130 SWCAXGGFWJEXJF-YUSALJHKSA-N 310.423 2.198 0 50 DEAA O=C(N[C@H]1CCOc2ccccc21)N[C@@H]1CCc2c[nH]nc2C1 378113300 PQRMTDBVGNDWMX-OCCSQVGLSA-N 312.373 2.090 0 50 DEAA C[C@@H]1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@H]1C(N)=O 284669646 UPOYSLXGYRPREJ-VXNVDRBHSA-N 318.270 2.038 0 50 DEAA Cc1cc(Br)cc(C(=O)NC[C@@H](C)[S@@](C)=O)c1 129923564 FQKMAGPBUZKEIH-XLFHBGCDSA-N 318.236 2.254 0 50 DEAA C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)CCO1 241644397 PQKKAIGSXGVRKJ-REBRKWNGSA-N 317.385 2.245 0 50 DEAA C[C@@H]1OCC[C@]12CN(C(=O)Cc1ccc(Cl)s1)CCO2 282834877 VQJNIVBFINTYLC-HZMBPMFUSA-N 315.822 2.350 0 50 DEAA Cc1cc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c2nccc(C)c2c1 284647512 RTWAKIDAPGCMIM-IUODEOHRSA-N 311.385 2.045 0 50 DEAA CC(=O)NCC1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CC1 82138460 HYGWTQJRRHDMSE-GOSISDBHSA-N 314.429 2.166 0 50 DEAA CCc1c(C)sc(NC(=O)C[C@@H](C)CC(=O)O)c1C(N)=O 17032491 CXMZLQYIIMVPSC-SSDOTTSWSA-N 312.391 2.157 0 50 DEAA O=C(NCCn1cccn1)c1csc(-c2cccs2)n1 82115748 JUZJMOUVBYJHQL-UHFFFAOYSA-N 304.400 2.498 0 50 DEAA Cc1noc(CCNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)n1 299438484 SQBICYDEWYDJQW-UHFFFAOYSA-N 317.393 2.179 0 50 DEAA CCOC(=O)c1cnc2nc(C3CCC3)nn2c1/C=C/N(C)C 85389281 AAGUYARKDJTBEN-CMDGGOBGSA-N 315.377 2.101 0 50 DEAA CN(C)[C@@H](C(=O)NCCc1ccccn1)c1ccc(F)cc1 95381887 GAHVZBPTPJHCBX-MRXNPFEDSA-N 301.365 2.182 0 50 DEAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccccc1Cl)C2 91526436 BYTGTTROQFWQEV-QWHCGFSZSA-N 306.793 2.423 0 50 DEAA CCCc1cc(N2CCC3(CC2)[C@@H](OC)C[C@H]3O)nc(C)n1 91657000 QXCVKOJOBGEMOX-CABCVRRESA-N 305.422 2.104 0 50 DEAA O[C@@H](Cc1ccccc1)c1ncnn1-c1ccc2c(c1)OCO2 91846148 ZPSBKXZEDYMFRO-AWEZNQCLSA-N 309.325 2.272 0 50 DEAA CNCC(=O)N[C@H]1CCCc2c1cnn2-c1cccc(C)c1C 91526648 JGGHBQXHYFJHFO-HNNXBMFYSA-N 312.417 2.202 0 50 DEAA CCCn1ncc(C(=O)NC[C@H](O)c2cccc(F)c2)c1C 91915210 WULABJIDNKBGCY-HNNXBMFYSA-N 305.353 2.204 0 50 DEAA COc1ccccc1-n1cc(CN2C[C@H]3CC[C@@H](C2)NC3)cn1 97547738 LZXHVJRZBDDGLB-HOCLYGCPSA-N 312.417 2.065 0 50 DEAA COc1ccc2c(c1)OC[C@@H](CNC(=O)c1csc(C)n1)C2 95529826 JDRMPFIAHXFYHZ-LLVKDONJSA-N 318.398 2.441 0 50 DEAA Cc1ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1O 244723514 MDALNMAGNNDHLX-INIZCTEOSA-N 318.417 2.074 0 50 DEAA COCc1noc([C@H](C)N(C)CCOc2ccc(F)cc2)n1 181500283 CQDNOZNAELYAIG-NSHDSACASA-N 309.341 2.427 0 50 DEAA CC(C)(C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)n1cccn1 622789512 QNHKHZYUWSEAQU-HNNXBMFYSA-N 317.389 2.419 0 50 DEAA O=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccco2)[nH]n1 252483824 FJEICTWHHCBWES-ZDUSSCGKSA-N 311.341 2.003 0 50 DEAA COc1cccc2c1CCN([C@@H](C)C(=O)Nc1cc(C)no1)C2 182672480 YSMFQHRYRNCSQJ-LBPRGKRZSA-N 315.373 2.377 0 50 DEAA Cc1ccc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)cn1 298968715 NIDKEBXRVJEGGL-UHFFFAOYSA-N 315.398 2.050 0 50 DEAA CC[C@H](C)[C@H](CO)NC(=O)c1cc(-c2ccccc2OC)[nH]n1 252509482 YOOHWAXQCADQTK-NHYWBVRUSA-N 317.389 2.222 0 50 DEAA OCC1CCN(CCNc2cccc(C(F)(F)F)n2)CC1 534646508 STRRVDHEIABQAW-UHFFFAOYSA-N 303.328 2.217 0 50 DEAA CC1(C)C[C@@H]1CNS(=O)(=O)CCOc1ccc(F)cc1 584902110 JNBDIKDVEPHKNS-LLVKDONJSA-N 301.383 2.170 0 50 DEAA CCCc1ccc(CN2C[C@@H](CC(=O)O)[C@@H](c3cnn[nH]3)C2)o1 1076057536 OVJPABWVJZZHJJ-RISCZKNCSA-N 318.377 2.041 0 50 DEAA C[C@H]1[C@@H](C)N(Cc2ccc(Cl)nc2Cl)CCS1(=O)=O 239653975 BLZDIDVGNNVKKL-BDAKNGLRSA-N 323.245 2.396 0 50 DEAA COc1cc(F)cc(-c2noc(N(C)Cc3ccn(C)n3)n2)c1 1348291885 UDBNSGNVLYEEFA-UHFFFAOYSA-N 317.324 2.254 0 50 DEAA C[C@@H]1CCCN(C(=O)c2ncnc(O)c2Br)[C@@H]1C 1362138544 HVWAGGORVIVNGA-HTQZYQBOSA-N 314.183 2.205 0 50 DEAA COc1cc(C)sc1C(=O)NCc1nc2cccnc2[nH]1 170606180 FUACNEUDNVXKFA-UHFFFAOYSA-N 302.359 2.266 0 50 DEAA CC(C)OCCC(=O)NC[C@H](C)N1CCc2ccccc2C1 170603913 MBUZIDZXQIKOFO-HNNXBMFYSA-N 304.434 2.365 0 50 DEAA COc1ccccc1/C=C/CNc1cccc(S(N)(=O)=O)c1 170612406 GQXKWRBFRHAUAM-FNORWQNLSA-N 318.398 2.468 0 50 DEAA C[C@@H]1OCCC[C@H]1C(=O)Nc1cccn(CC(F)(F)F)c1=O 189260603 KQLWJPNHLIQBSE-VHSXEESVSA-N 318.295 2.164 0 50 DEAA CCOC1CC(CCNC(=O)N[C@@H]2COc3ccccc3C2)C1 190155736 FQFVNMWMYODXQS-SIWZUTFBSA-N 318.417 2.495 0 50 DEAA CC[C@H]1CN(C)CCN1c1cc(-c2ccccc2)nc2ncnn12 585085905 PHNFRFIJNXPKFT-HNNXBMFYSA-N 322.416 2.322 0 50 DEAA CN1CC[C@@H]2CN(C(=O)c3cc(F)c(F)c(F)c3F)C[C@@H]2C1 585127101 PYJJORXMHAMAGC-BDAKNGLRSA-N 316.298 2.267 0 50 DEAA Cn1cc(CN(CCCC(=O)O)Cc2cccc(Cl)c2)nn1 1615547206 DDWVTIHNBWKXOP-UHFFFAOYSA-N 322.796 2.336 0 50 DEAA CN(Cc1nc(-c2ccccc2)no1)C[C@H]1CCC(=O)N(C)C1 1800411113 FYGJSXJKYXYFKC-CYBMUJFWSA-N 314.389 2.037 0 50 DEAA Cc1cc([C@@H]2CCCN2C(=O)c2c(C)nn3ncccc23)on1 1775983695 RMTXMPQGUTYTJG-LBPRGKRZSA-N 311.345 2.311 0 50 DEAA COCCN1CCC[C@]2(CCN(Cc3cccc(C)c3)C2)C1=O 11844569 VSFXAOOLMHHALP-LJQANCHMSA-N 316.445 2.456 0 50 DEAA Cc1cccc(CN2CCC[C@@](O)(CNC3CCCC3)C2=O)c1 11933371 JIZLGRBFRQHBNV-LJQANCHMSA-N 316.445 2.381 0 50 DEAA COc1ccc(C(=O)NCCNC(=O)C2=CCCCC2)cc1 126696923 DZDOGIHWBCKZFC-UHFFFAOYSA-N 302.374 2.042 0 50 DEAA Cc1cc(C)c(NC(=O)CN2CCC[C@@]2(C)C(=O)O)c(C)c1 316338038 ZTWAWJUYRAWRNI-KRWDZBQOSA-N 304.390 2.489 0 50 DEAA C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(=O)n(C)n1 332519310 LKXKMBREZPSWJE-GHMZBOCLSA-N 315.348 2.067 0 50 DEAA O=S(=O)(N[C@@H]1C[C@H](O)C12CCC2)c1ccc2c(c1)CCCC2 657184621 KLPAEUWMZVVNNT-CVEARBPZSA-N 321.442 2.147 0 50 DEAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCc1ncccn1 360301845 BDWXTLGXZBEYCD-CQSZACIVSA-N 310.401 2.276 0 50 DEAA Cc1noc(C)c1C(=O)N1CCc2ccccc2[C@@H]1C(=O)O 262025431 YEOPQEGTSHHERI-CQSZACIVSA-N 300.314 2.116 0 50 DEAA O=C(O)Cc1ccc(NC(=O)c2cnn3c2CCCC3)cc1F 263276656 WTRORGHXKFWEPN-UHFFFAOYSA-N 317.320 2.238 0 50 DEAA CN(C(=O)c1cccc(Cn2cncn2)c1)C1(C(F)(F)F)CC1 906213839 MLXLSWAXHQZZAF-UHFFFAOYSA-N 324.306 2.493 0 50 DEAA Cc1cc(CNC[C@H](O)c2ccc(Br)cc2)n[nH]1 819065762 SXZIJDPKDKPESB-ZDUSSCGKSA-N 310.195 2.304 0 50 DEAA Cc1nc(N2CCN(Cc3cc(-c4ccccc4)no3)CC2)n[nH]1 931626403 WQPUAKPCYXXHEM-UHFFFAOYSA-N 324.388 2.090 0 50 DEAA CCOC(=O)CC(C)(C)CC(=O)Nc1ccc(C(=O)OC)nc1 864096394 CIUCNTOGEDQVAH-UHFFFAOYSA-N 322.361 2.176 0 50 DEAA CCO[C@@H](C)c1nc(C)c(C(=O)NC/C=C/C(=O)OC)s1 1875273211 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Cc1nc(NCCCN2C(=O)CCC2=O)c2c(C)csc2n1 124075883 RIISXWRDWVQULR-UHFFFAOYSA-N 318.402 2.259 0 50 DEAA O=C(C[C@]1(O)C(=O)Nc2ccc(F)cc21)c1ccc(F)cc1 618235 ZFIDIXBFTYSYSA-MRXNPFEDSA-N 303.264 2.378 0 50 DEAA O=S(=O)(CCCCC(Cl)(Cl)Cl)N1CCOCC1 2697230 JFILWIQGJTXCRU-UHFFFAOYSA-N 324.657 2.189 0 50 DEAA Nc1cc(-c2cccc3cnccc23)nc(N2CCOCC2)n1 65433980 QMDAIAZBWYQDTL-UHFFFAOYSA-N 307.357 2.111 0 50 DEAA COc1cc(NCc2ccccc2CN2CCCC2=O)ncn1 65505607 NJUSBOMVMUXVDX-UHFFFAOYSA-N 312.373 2.220 0 50 DEAA COc1ccc(CCNC(=O)N2CCC3(CCNCC3)C2)cc1 67696971 QFYZONJOOQBGNM-UHFFFAOYSA-N 317.433 2.023 0 50 DEAA Cc1oncc1CN(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 346487898 JGKPWXHJMMOPRD-ROUUACIJSA-N 315.417 2.487 0 50 DEAA Cc1ccc(CCNS(=O)(=O)Cc2nocc2C)c(C)c1 1363766036 HNCQGSKZYLOIJC-UHFFFAOYSA-N 308.403 2.262 0 50 DEAA CC(=O)N(C)CCc1noc(Cc2ccc3c(c2)CCCO3)n1 351357380 OOHCGYXHZGLRCV-UHFFFAOYSA-N 315.373 2.006 0 50 DEAA COc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc(OC)c1 1389953 GGARAUDIGSZPSJ-KBPBESRZSA-N 305.330 2.309 0 50 DEAA CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 1530567 NWIUTZDMDHAVTP-KRWDZBQOSA-N 307.434 2.393 0 50 DEAA biogenic,fda C[C@@H](NC(=O)c1ccccc1Oc1ccccc1)c1nc(=O)[nH][nH]1 215737364 ZUJDYFIJRIJJOF-LLVKDONJSA-N 324.340 2.381 0 50 DEAA CS[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](CO)Cc1ccccc1 229928939 OJKSNVGYQYZFDH-QLFBSQMISA-N 308.447 2.173 0 50 DEAA Cc1ccc(F)cc1CNc1cc(C2CC(N)C2)nc(N)n1 219255119 NJGBTGPQHDMFBH-UHFFFAOYSA-N 301.369 2.323 0 50 DEAA CC1=CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)C1 328588907 YLOZMVFCXGMBAZ-HNNXBMFYSA-N 314.385 2.175 0 50 DEAA CCOC(=O)[C@H](CC(=O)N1CC[C@@H](c2ccccc2)C1)C(C)=O 328592754 KYGZJWWDRCIYGV-HZPDHXFCSA-N 317.385 2.161 0 50 DEAA Cc1nnc([C@@H]2CN(C(=O)c3coc4ccccc34)CCO2)o1 328614403 VXQFVEBKONOVRU-AWEZNQCLSA-N 313.313 2.338 0 50 DEAA O=C1NC2(CCNCC2)C(=O)N1CCc1cccc2ccccc12 77521499 CWUCGQFHWMWZHA-UHFFFAOYSA-N 323.396 2.056 0 50 DEAA CC(=O)N1CC[C@H](C(=O)Nc2cnc(C(F)(F)F)cc2C)C1 362298911 DIYBCXXBAAUSCR-JTQLQIEISA-N 315.295 2.216 0 50 DEAA O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1CCC(F)(F)C1 331376503 CFLMUGUCNFSASO-GFCCVEGCSA-N 306.316 2.319 0 50 DEAA Cc1nn(CC(=O)N(C)[C@H](C)Cc2ccccn2)cc1Cl 71774846 FRAPDWVGUNRIQZ-LLVKDONJSA-N 306.797 2.330 0 50 DEAA COc1cccc(-c2cnc(CN3C[C@H](OC)[C@H](OC)C3)o2)c1 365180961 ITSWQHHWSUHBCG-IYBDPMFKSA-N 318.373 2.196 0 50 DEAA CC(C)[C@H](C(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccccc1 236611647 MXBWJNQIMVITPO-HOCLYGCPSA-N 305.374 2.128 0 50 DEAA Cc1cc(NC[C@H]2CCN(C(=O)Cc3ccccc3)C2)nc(C)n1 370888754 LAHDPEMEUXEBPE-QGZVFWFLSA-N 324.428 2.597 0 50 DEAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NCC(=O)NCCC1=CCCCC1 333462120 UVMMLUBFUIXGDL-OIISXLGYSA-N 306.450 2.396 0 50 DEAA Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2N)c2cnn(C(C)C)c2n1 128124614 WKBKLBIBZVEVIT-HUUCEWRRSA-N 315.421 2.320 0 50 DEAA Cc1[nH]c2ccccc2c1CC(=O)N1CCCC[C@@H]1C(=O)O 237707394 CTSZSEVUZLKGGH-OAHLLOKOSA-N 300.358 2.485 0 50 DEAA C[C@H](C(=O)N1CCC2(CCC(=O)NC2)CC1)c1ccc(O)cc1 216115276 UEVBIWGUENVUGB-ZDUSSCGKSA-N 316.401 2.015 0 50 DEAA COc1cc(CN2CC[C@H](NC(=O)[C@@H]3C[C@H]3C)C2)cc(OC)c1 240668441 HNAFYOWDTXBJKQ-HACGYAERSA-N 318.417 2.050 0 50 DEAA Cc1occc1C(=O)N1CCCC[C@H]1CCN1CCOCC1 82125676 FWMJOIDEXVVACJ-HNNXBMFYSA-N 306.406 2.305 0 50 DEAA CCCn1cnc(NC(=O)NCc2cc(OC)ccc2OC)n1 48428150 SASNLFOQBWMYQJ-UHFFFAOYSA-N 319.365 2.027 0 50 DEAA COc1ccc(CCn2ccc3c(cnc4ccnn43)c2=O)cc1 40387536 PBVHNGZAGKOLBV-UHFFFAOYSA-N 320.352 2.296 0 50 DEAA CN(Cc1n[nH]c2c1CCCC2)C(=O)C(C)(C)N1CCCC1 426399319 BDVIAAYHTBHDOS-UHFFFAOYSA-N 304.438 2.121 0 50 DEAA COc1ncc(C(=O)NCc2nc3ccccc3s2)cn1 426535462 LCVITKGLNVFVON-UHFFFAOYSA-N 300.343 2.025 0 50 DEAA O=C(NC[C@@H]1CCCO1)N1CCOc2ccc(Cl)cc2C1 426701394 JGQAANQQCHYOQS-ZDUSSCGKSA-N 310.781 2.423 0 50 DEAA O=C(CCc1nc([C@H]2CCOC2)no1)NC1CCCCCC1 96141498 LNWSXQWIMSAFME-LBPRGKRZSA-N 307.394 2.345 0 50 DEAA CC[C@]1(CO)CCCN(Cc2cc(OC)c3c(c2)OCO3)C1 91635381 BVLGDVNKYOQPAN-KRWDZBQOSA-N 307.390 2.408 0 50 DEAA CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)C2CCCC2)C1 95384174 AKQKMSZYGQRZOJ-MRXNPFEDSA-N 318.465 2.341 0 50 DEAA Cc1ccccc1CN(CCO)C(=O)CC[C@H]1CCCN(C)C1 91289085 IKJVJKDGGASWTD-QGZVFWFLSA-N 318.461 2.438 0 50 DEAA CCCc1cc(CNC(=O)c2cnc(-c3ccncc3)nc2)on1 95374575 ZBSIQVVKFWFALB-UHFFFAOYSA-N 323.356 2.409 0 50 DEAA Cc1ccc2[nH]c(CN3CCC(c4nc[nH]n4)CC3)cc(=O)c2c1 91907511 AOSBQEZJSGYBSF-UHFFFAOYSA-N 323.400 2.334 0 50 DEAA C[C@]1(C(=O)O)CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 237650280 CXAJWTONVLBZOQ-GDLVEWKHSA-N 309.312 2.392 0 50 DEAA Cc1n[nH]c(C)c1NC(=O)CN1CCC=C(c2cccnc2)C1 296045294 SWBOYCMRBGJLQT-UHFFFAOYSA-N 311.389 2.149 0 50 DEAA C[C@H]1C(=O)N(CC(=O)O)CCN1Cc1cc2ccccc2s1 244724760 NAIUIBYNXXIXQV-NSHDSACASA-N 318.398 2.019 0 50 DEAA O=C(c1ccc(Cl)cc1F)N1CCC[C@H]1Cn1ccnn1 299746778 ZRTLTKHLHCWKDG-NSHDSACASA-N 308.744 2.375 0 50 DEAA Cc1n[nH]c(CN2CCC(C(=O)NC3CCCCCC3)CC2)n1 252499083 RVGRKNJXCLJQNJ-UHFFFAOYSA-N 319.453 2.164 0 50 DEAA O=[N+]([O-])/C=C1\NCCN1c1ncc(C(F)(F)F)cc1Cl 261494866 NTIWXLSLLIGNGX-VMPITWQZSA-N 308.647 2.239 0 50 DEAA Cc1cc(C(=O)N[C@H]2CCCN(C(=O)C(C)C)C2)cc(C)n1 534661184 GECLYAUSGVFEQY-HNNXBMFYSA-N 303.406 2.075 0 50 DEAA CCn1ncnc1[C@@H](NC(=O)c1csc(C(C)=O)c1)C1CC1 299786346 JQVABNJBPHLUOF-ZDUSSCGKSA-N 318.402 2.443 0 50 DEAA COc1ccccc1CN(C(=O)NCCc1cn[nH]c1)C1CC1 292027098 DJRZPCYDEWUDHY-UHFFFAOYSA-N 314.389 2.335 0 50 DEAA CCCCc1nc(C)cc(NCCNC(=O)c2cscn2)n1 299795416 LNLMKKGUCXJTLV-UHFFFAOYSA-N 319.434 2.426 0 50 DEAA CN1CCCC[C@@H]1CCC(=O)NCc1ccc2nc[nH]c2c1 584890192 NTAQVTKFWUFDFE-CQSZACIVSA-N 300.406 2.444 0 50 DEAA Cc1nc(N2CCCC2)nc(N2CCO[C@H](C3CC3)C2)c1C 670468398 FMHZJKAMXOWKGD-HNNXBMFYSA-N 302.422 2.309 0 50 DEAA Cc1cc(NC(=O)Cc2ccc3n[nH]cc3c2)cc(C(N)=O)c1 1449897025 QBJIUPLYHWHPTL-UHFFFAOYSA-N 308.341 2.151 0 50 DEAA CCc1ncnc(N2CCN(c3cc(C4CC4)n[nH]3)CC2)c1F 302383738 HBUSTDVITAFEIL-UHFFFAOYSA-N 316.384 2.105 0 50 DEAA CC(C)(C)OC(=O)N1CCC(O)([C@H](N)c2ccccc2)CC1 958528868 XFMATFMKAAPDNL-CQSZACIVSA-N 306.406 2.448 0 50 DEAA COc1cc(C(=O)N[C@H]2CCOC[C@@H]2OC)ccc1OC(C)C 1565510784 NIXRVEIGGMRFHI-BBRMVZONSA-N 323.389 2.016 0 50 DEAA C/C=C/c1ccc(OCC(=O)N2CC[C@@H](C(=O)O)C2)c(OC)c1 269178762 KNXDINYVRGTHOC-ITDFMYJTSA-N 319.357 2.040 0 50 DEAA C[C@@H](N)[C@H]1CCCN(C(=O)c2cnc(-c3ccncc3)s2)C1 269259360 IXACDJSIRKAJPR-YPMHNXCESA-N 316.430 2.405 0 50 DEAA COc1ccc(Cl)cc1/C=C/C(=O)N(C)CCn1cncn1 170595724 NSVBZCVBKBUVJK-ZZXKWVIFSA-N 320.780 2.112 0 50 DEAA O=C(NCC1(C(=O)O)CCOCC1)c1cc2cc(F)ccc2o1 191459009 NURHRXOGMHIXPT-UHFFFAOYSA-N 321.304 2.183 0 50 DEAA O=C(C[C@H](n1ccnc1)C(F)(F)F)NCCc1ccco1 585120816 NASNFJCZYOZPBA-NSHDSACASA-N 301.268 2.329 0 50 DEAA CNC(=O)[C@H](NC(=O)Cc1cccc(Cl)c1Cl)C(C)C 194379958 KGBBVJVBKFIOKN-CYBMUJFWSA-N 317.216 2.423 0 50 DEAA COc1cccc([C@@H](C)C(=O)N2CCOC23CCOCC3)c1 1615586337 LJANEJQZZMEBQG-CYBMUJFWSA-N 305.374 2.164 0 50 DEAA O=C(O)c1cnc(N[C@@H](Cn2cccn2)c2ccccc2)cn1 1506413941 ASFJSJNDCJREFF-AWEZNQCLSA-N 309.329 2.225 0 50 DEAA COc1ccc(Br)cc1S(=O)(=O)N1CCCC1 79801 FPKQJHZVAVRUQD-UHFFFAOYSA-N 320.208 2.242 0 50 DEAA in-vitro CCN(CCOc1cc(C)cc(C)c1)c1nnc(CNC)o1 1772713035 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Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1cc[nH]n1)CC2 1857709048 BCFUPMSODVUQMC-UHFFFAOYSA-N 321.384 2.051 0 50 DEAA CN(Cc1cc2cc(F)ccc2[nH]1)C[C@H](O)C1CCNCC1 1857710598 GIXMBOZQYFYUMS-KRWDZBQOSA-N 305.397 2.099 0 50 DEAA Cc1ccc(C(=O)N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)s1 1857739716 PMNPECJLSKRWNB-ZOMKSWQUSA-N 320.458 2.238 0 50 DEAA O=C(O)CN(CC(=O)N1CCCCC1)Cc1ccc(Cl)cc1 629360256 OHPFBEKHEJAFNA-UHFFFAOYSA-N 324.808 2.239 0 50 DEAA CC(C)C[C@H](CN)CC(=O)OCC(=O)N(C)C1CCCCC1 408525688 SMEHPGDZELFLGD-AWEZNQCLSA-N 312.454 2.332 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)c2cccc3c2OCO3)[C@H]2CCC[C@@H]21 630270399 ALUNAHDMJHYDTK-WZRBSPASSA-N 317.341 2.131 0 50 DEAA CCc1ccc(-c2noc(CN3CCCC[C@@H](O)C3=O)n2)cc1 643839264 IWZJMFAXXUVLGG-CQSZACIVSA-N 315.373 2.172 0 50 DEAA Cc1ccc2c(c1)[C@H](NC(=O)N(C[C@H](C)O)[C@H](C)CO)CCC2 241277696 LIJZRPUPOVHXTC-JKIFEVAISA-N 320.433 2.146 0 50 DEAA Cc1n[nH]c(C)c1CC(=O)N[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 252489740 JYYCPXVMTONYMW-GTNSWQLSSA-N 307.438 2.263 0 50 DEAA 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1875285175 FUMGSHZQBBIVJJ-HNNXBMFYSA-N 304.438 2.485 0 50 DEAA CN1CCN(C)[C@@H](CN(C=O)Cc2ccc(C3CCC3)cc2)C1 1875325655 RVSBXUXQFUSJJE-LJQANCHMSA-N 315.461 2.158 0 50 DEAA O=C1CCc2cc(S(=O)(=O)N3CCCC4(CC4)C3)ccc2N1 1771657042 RZQHGFPVEVNZFS-UHFFFAOYSA-N 320.414 2.136 0 50 DEAA Cc1cncc(CNC(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 1771635006 GYARDVFMDMLYRN-UHFFFAOYSA-N 315.760 2.468 0 50 DEAA CC(=O)NC[C@@H]1CCCN(c2nc(C3CC3)nc3c2CCC3)C1 1772504321 JFAHOUCNUHNCOO-ZDUSSCGKSA-N 314.433 2.195 0 50 DEAA Cc1ocnc1CN(C)[C@@H]1CCN(C(=O)N2CCCC[C@H]2C)C1 1775989099 CUTDOOJZJCZOTO-UKRRQHHQSA-N 320.437 2.484 0 50 DEAA COc1c(C(=O)N(C)C[C@@H](O)C2CC2)cnc2ccccc12 1776002601 PVPJIWOQCINLIS-OAHLLOKOSA-N 300.358 2.086 0 50 DEAA NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 31721045 GAODOHHOFVVKRG-UHFFFAOYSA-N 310.762 2.240 0 50 DEAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1cc(C2CCCC2)no1 2325763145 GPNXJNWPEJJDRI-XZUYRWCXSA-N 304.346 2.171 0 50 DEAA Cn1c(NC(=O)C[C@@H]2Cc3ccccc3CN2)nc2cccnc21 2325774806 VFIDZEGIKIWRCP-AWEZNQCLSA-N 321.384 2.011 0 50 DEAA O=C1C[C@H](C(=O)NCc2ccc3cc[nH]c3n2)Oc2ccccc21 2325876214 NFJMHHZVAKKEBN-MRXNPFEDSA-N 321.336 2.213 0 50 DEAA COc1ccc(NC(=O)[C@H]2COc3ccccc3O2)c(OC)c1 130442 HBXWTAPSQKHAOK-MRXNPFEDSA-N 315.325 2.482 0 50 DEAA COc1ccc(Br)cc1-c1nc2nnc(C)n2[nH]1 344614 JAWWETAFXAVPPI-UHFFFAOYSA-N 308.139 2.199 0 50 DEAA CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O 1794854 SOHLZANWVLCPHK-LBPRGKRZSA-N 323.345 2.098 0 50 DEAA biogenic,in-vitro Cc1cccc(-c2nc(CN3C[C@@H]4CNC(=O)[C@@H]4C3)c(C)o2)c1 2356162840 RFRFPPWBKRVEAG-LSDHHAIUSA-N 311.385 2.136 0 50 DEAA Cc1cc(CC(C)C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 4526615 MUCMMMZYUNOOFT-UHFFFAOYSA-N 320.418 2.367 0 50 DEAA CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 4809552 KEGRATYRBPEJBM-UHFFFAOYSA-N 318.398 2.378 0 50 DEAA COc1cc(CNC2CCCCCC2)ccc1OCC(N)=O 4850902 DYJSAANWJHLHNT-UHFFFAOYSA-N 306.406 2.372 0 50 DEAA CC(=O)N(C)c1ccc(OCc2nnnn2-c2ccccc2)cc1 6759980 ZLLJQHKVSUOHJK-UHFFFAOYSA-N 323.356 2.224 0 50 DEAA Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)nc(C)n1 225676847 WTJMWLLZBBLRBR-GOEBONIOSA-N 315.348 2.181 0 50 DEAA C[C@H]1CCCC[C@H]1OCC(=O)NCc1nnc(S)n1C1CC1 112904081 DFAFXBNFBRFFEX-CMPLNLGQSA-N 324.450 2.113 0 50 DEAA O=C(CN1CCCC1=O)Nc1nc2c(s1)CCCCCC2 55375089 DHEOGJFYLVHKBW-UHFFFAOYSA-N 307.419 2.363 0 50 DEAA COCCN1CC[C@@H](CNC(=O)c2ccc(Cl)c(F)c2)C1 20453762 PTZLIPHJOAEPOT-NSHDSACASA-N 314.788 2.177 0 50 DEAA O=C1C[C@@H](Nc2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1 101130389 QNIJIVXQAUQOID-CQSZACIVSA-N 324.336 2.155 0 50 DEAA Cn1ccnc1CN(CCO)Cc1ccc(C(F)(F)F)cc1 65374065 QEOIVHKPRAEWBX-UHFFFAOYSA-N 313.323 2.433 0 50 DEAA CCN(CC)Cc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1 347456095 XUOASPKCORQKHK-HOTGVXAUSA-N 308.397 2.073 0 50 DEAA C[C@H]1CN(Cc2cscn2)CCN1C[C@@H](O)c1ccccc1 229375995 GCJBLYOMICXKKJ-WMLDXEAASA-N 317.458 2.383 0 50 DEAA CC[S@](=O)c1ccccc1C(=O)NC[C@H]1CCN(C2CC2)C1 120270169 ZJBSBCWJTMUDRB-MCMMXHMISA-N 320.458 2.028 0 50 DEAA Cc1sc(=O)n(CC(=O)N(C)[C@@H](C)c2ccccn2)c1C 121282101 DYVQTHBAYMJLQM-NSHDSACASA-N 305.403 2.141 0 50 DEAA Cc1cc(NC(=O)[C@H](C)n2cc(Br)c(C)n2)no1 2777639 UDIIORDAZIYRFL-QMMMGPOBSA-N 313.155 2.450 0 50 DEAA COc1ccccc1N1CC[C@H](NC(=O)C2[C@@H]3CCC[C@@H]23)C1 230096982 GORHMGSHQKLWJA-BFHYXJOUSA-N 300.402 2.436 0 50 DEAA COc1ccc(Br)cc1C(=O)NC[C@H]1CCCO1 4840994 FTOLQMZOPYYZLZ-SNVBAGLBSA-N 314.179 2.367 0 50 DEAA Cc1nn(C)c(C)c1Nc1cc(N[C@@H]2CCCOC2)ncn1 328652348 WJTCTSHSUQPWQG-GFCCVEGCSA-N 302.382 2.161 0 50 DEAA O=C(c1ccc[nH]1)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 77458191 DDDIRHDXBXAGRZ-KRWDZBQOSA-N 301.390 2.022 0 50 DEAA CC(C)CN1CCN(Cc2ccc(CC(=O)O)cc2)[C@@H](C)C1=O 72146194 OXPGXWROIWFORQ-AWEZNQCLSA-N 318.417 2.002 0 50 DEAA COCc1nocc1C(=O)N(C)C[C@@H]1OCCc2ccccc21 362688434 ZMEGLLBCOYYTPH-INIZCTEOSA-N 316.357 2.207 0 50 DEAA CCC1(CC)CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CCS1 375489180 AERNKTXIZJPYPB-NSHDSACASA-N 308.451 2.044 0 50 DEAA O=C1Nc2ccccc2[C@@]12CCN(Cc1ccc(CO)cc1)C2 364433825 IXEGJRVEVBLKLS-IBGZPJMESA-N 308.381 2.275 0 50 DEAA Cc1onc(-c2cccnc2)c1C(=O)N1CC[C@H]2OCC[C@H]2C1 376139128 IASQBCLFWACXJI-UONOGXRCSA-N 313.357 2.296 0 50 DEAA CC[C@@H](NC(=O)c1ccc(C(=O)O)nc1)c1nc(C)cs1 236962091 IRWNOLREXLIFBI-SNVBAGLBSA-N 305.359 2.426 0 50 DEAA Cc1c([C@H](C)NC(=O)N2CCCC23CCN(C)CC3)cnn1C 371404191 JCDFBTNYOJIVEB-ZDUSSCGKSA-N 319.453 2.059 0 50 DEAA C[C@@H](NC(=O)C1(c2cccc(Br)c2)CC1)C(=O)O 237503487 SATUITDHHGHCST-MRVPVSSYSA-N 312.163 2.070 0 50 DEAA Clc1ccc(CN2CCN(c3ccc4nccn4n3)CC2)o1 215324855 NTAFGPRBHOYUSB-UHFFFAOYSA-N 317.780 2.298 0 50 DEAA C[C@H](NC(=O)N1CCOC[C@@H]1c1ccccc1)c1cnn(C)c1 372627698 PORZFFWUPGUGIN-XJKSGUPXSA-N 314.389 2.264 0 50 DEAA Cc1cc(CO)oc1C(=O)Nc1cccc(C(=O)N(C)C)c1 283035942 RKHINSZELBQLON-UHFFFAOYSA-N 302.330 2.034 0 50 DEAA COc1ccccc1[C@@H]1CCCN1C(=O)c1cc2n(n1)CCO2 377927535 WCLKHRWPLMBDBL-AWEZNQCLSA-N 313.357 2.261 0 50 DEAA CS(=O)(=O)c1ccc(OCc2nc(CC3CC3)no2)cc1 72172931 BLCQZYFGORKOBZ-UHFFFAOYSA-N 308.359 2.005 0 50 DEAA Cc1ccc2nc(O)cc(C(=O)N(C)C[C@@H]3CCOC3)c2c1 426662565 XONSYIWZWXUDOW-LBPRGKRZSA-N 300.358 2.357 0 50 DEAA O=C(Nc1ccncc1)[C@@H]1CSCN1C(=O)C1CCCC1 263885176 DCJCDISJCLKAOQ-ZDUSSCGKSA-N 305.403 2.112 0 50 DEAA Cc1nnc(CN(C)C(=O)CCn2cnc3ccccc32)s1 620833388 JOQHAAKVUVUBGY-UHFFFAOYSA-N 315.402 2.245 0 50 DEAA Cn1cnc(C(=O)NC2(c3ccc(F)cc3F)CCCC2)n1 292215591 CFUMMPNBKLXAMU-UHFFFAOYSA-N 306.316 2.293 0 50 DEAA COc1ccc2c(c1)OC[C@]1(CO)CN(CCCSC)C[C@H]21 95352386 UHTJXZWXSZCQIN-NVXWUHKLSA-N 323.458 2.219 0 50 DEAA CNCC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 237261376 OVVADXYETXMQRT-IBGZPJMESA-N 310.397 2.437 0 50 DEAA Cc1ccc([C@@H](C(=O)O)N(C)CCCN2CCOCC2)c(C)c1 95357384 SSDKTJMATSMUPE-KRWDZBQOSA-N 320.433 2.083 0 50 DEAA CC(=O)Nc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 238950646 ZFURNLHIJVEJAT-LWWSYDQCSA-N 314.341 2.106 0 50 DEAA Cc1cc(C(=O)N2CC[C@H]3C[C@H]3C2)ccc1N1CCOCC1 619339944 VDVOSNDZFJOTEN-HOCLYGCPSA-N 300.402 2.314 0 50 DEAA CNC(=O)c1ccc(Cn2c(C)cc(C(F)(F)F)cc2=O)o1 95378911 UIWURLVYQKPNQL-UHFFFAOYSA-N 314.263 2.176 0 50 DEAA COc1ccc(NC(=O)N(C)C[C@@H]2CCCCO2)c(OC)n1 95498397 UHJUNHDDWKQXRE-NSHDSACASA-N 309.366 2.132 0 50 DEAA CCn1nc(C)c(CN2CC[C@@](O)(COC)C(C)(C)C2)c1C 92097558 MPUKIEIBUXQRCN-QGZVFWFLSA-N 309.454 2.129 0 50 DEAA COC[C@H]1CCN1C(=O)NCc1coc(-c2ccccc2)n1 297236096 MSABIANXHLWGJG-CQSZACIVSA-N 301.346 2.272 0 50 DEAA CC1=C2C[C@H]([C@]3(N)CC4(CC4)NC3=O)[C@@H](O)C[C@]2(C)CCC1 253470773 CZASCEJNNSBZGY-ILXVDBEPSA-N 304.434 2.014 0 50 DEAA N[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)C1 299740032 USUBPDXBIJMQGP-MJBXVCDLSA-N 302.374 2.206 0 50 DEAA COC(=O)[C@@]12[C@H]3[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]8[C@H]9[C@H]%10[C@@H]([C@H]%11[C@H]9[C@H]([C@H]85)[C@H]4[C@H]%111)[C@H]2[C@H]([C@@H]63)[C@H]7%10 257356073 FNNUQRHCDNDIEL-SYBINERRSA-N 318.416 2.003 0 50 DEAA O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1csnn1 299744816 QAWODYMJKCBEBA-GWCFXTLKSA-N 307.350 2.185 0 50 DEAA COC(=O)[C@]12[C@@H]3[C@H]4[C@@H]5[C@H]6[C@H]3[C@H]3[C@H]7[C@@H]6[C@H]6[C@@H]5[C@H]5[C@@H]4[C@@H]1[C@H]1[C@@H]5[C@H]6[C@H]7[C@H]1[C@@H]32 257356074 FNNUQRHCDNDIEL-VMQIAGOASA-N 318.416 2.003 0 50 DEAA Cc1nc(C)c(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)s1 257173119 DDPQYIMSURBCMP-HNNXBMFYSA-N 302.355 2.173 0 50 DEAA COc1cccc(-c2cc(CNS(=O)(=O)C(C)C)no2)c1 534629715 FOQKVWNEBLQNCF-UHFFFAOYSA-N 310.375 2.178 0 50 DEAA COc1cc(-c2cnn([C@@H](C)C(=O)O)c2)cc(OC)c1OC 534644115 YIZCNNIKGSYUIF-VIFPVBQESA-N 306.318 2.222 0 50 DEAA CCn1nc(C)c(CNC(=O)Cc2sc(C)nc2C)c1C 299783189 KGOGYHJOJQXFCO-UHFFFAOYSA-N 306.435 2.452 0 50 DEAA Cc1c(C(=O)N[C@@H](C)c2nc(-c3cccnc3)no2)ccn1C 584899333 PBZZTKDMKUTOCS-JTQLQIEISA-N 311.345 2.270 0 50 DEAA CCCn1cc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)nn1 685943589 YGMQQNLDRROLLK-CYBMUJFWSA-N 323.441 2.129 0 50 DEAA O[C@H]1CN(c2nn3cc(-c4ccccc4)nc3s2)CC12CC2 1338403971 QQGKATYJENOJDS-ZDUSSCGKSA-N 312.398 2.419 0 50 DEAA COC(=O)C(C)(C)CS(=O)(=O)N1C[C@H](C)CCC[C@H]1C 408178047 OOSAKZDAQWKOKA-VXGBXAGGSA-N 305.440 2.026 0 50 DEAA O=C(NCC(=O)N1CCC(F)(F)CC1)OCc1ccccc1 794289574 JEBXONRTJYEPBY-UHFFFAOYSA-N 312.316 2.171 0 50 DEAA 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ZVEFGXPZNAMLNH-HNNXBMFYSA-N 313.405 2.293 0 50 DEAA Cc1ccc(C(=O)NCC(=O)NCc2cc(C)nc(C)c2)cc1 1875266237 MPXHYVRPRILAHG-UHFFFAOYSA-N 311.385 2.053 0 50 DEAA CCc1noc(CC)c1CNC[C@H]1CCO[C@@H]1c1cnn(C)c1 886079580 LXQJFTXLQGRLIW-PXAZEXFGSA-N 318.421 2.400 0 50 DEAA Cc1c(N[C@@H]2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cnn1C 1775993899 XCKQAMSIXPQWOG-OLZOCXBDSA-N 324.425 2.213 0 50 DEAA Cc1cc(N2CCO[C@]3(CCSC3)C2)n2ncc(C)c2n1 2325775398 BAXWGORAMVOCDZ-OAHLLOKOSA-N 304.419 2.058 0 50 DEAA CC1(C)CCO[C@H]1CCNc1ncnc2c1NC(=O)CS2 2325775600 OYXNERJITPVUHT-VIFPVBQESA-N 308.407 2.138 0 50 DEAA Cc1[nH]nc2c1C[C@H](NCc1cc(-c3ccccn3)n[nH]1)CC2 2325788646 UPDAVNRIXJYOLY-GFCCVEGCSA-N 308.389 2.150 0 50 DEAA COC12CCC(C(=O)Nc3cnc4c(c3)CNC4=O)(CC1)CC2 2325885541 RBPSOAQOGIOHSZ-UHFFFAOYSA-N 315.373 2.003 0 50 DEAA O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 133701 SBHJWGVUVFVDMN-SNVBAGLBSA-N 324.185 2.231 0 50 DEAA COc1cc(CN2CCC[C@H](O)C2)cc(Br)c1O 207025 BRSVIFYFVGAIHL-JTQLQIEISA-N 316.195 2.120 0 50 DEAA COc1cc(-c2nc3nc(C)cc(C)n3n2)cc(OC)c1OC 1051223 BRIFIELLNRGYBP-UHFFFAOYSA-N 314.345 2.434 0 50 DEAA CN(C)c1ccc(-c2ccnc(N3CCc4nc[nH]c4C3)n2)cc1 2356151439 INVMONCXTOJVOC-UHFFFAOYSA-N 320.400 2.495 0 50 DEAA COCCNC(=O)COc1cc(C)c(Br)c(C)c1 3003465 VKBOQMHNVIJPLZ-UHFFFAOYSA-N 316.195 2.207 0 50 DEAA CC[C@@H](Nc1cccc(OC)c1)C(=O)NCc1nccn1CC 55211376 PKFBWPGNORXUJZ-OAHLLOKOSA-N 316.405 2.419 0 50 DEAA CO[C@H]1C[C@@H](CO)N(Cc2cccc(OCC(F)(F)F)c2)C1 343977743 JZVFWLKTDWGQKW-JSGCOSHPSA-N 319.323 2.209 0 50 DEAA Cn1ccnc1CN1CCN(c2nc3ccccc3s2)CC1 57593524 RZQHXKLGROXUGC-UHFFFAOYSA-N 313.430 2.352 0 50 DEAA CCc1oc(C(=O)NCCn2cccn2)cc1CN(CC)CC 55393567 WNZGYPNZOCIERM-UHFFFAOYSA-N 318.421 2.310 0 50 DEAA Fc1cccc(Cn2cc(I)nn2)c1F 308786113 BFADICBFAHRWTO-UHFFFAOYSA-N 321.068 2.209 0 50 DEAA Cn1ccnc1CN1CCC[C@@H](CCNC(=O)C(C)(C)C)C1 67908804 NPVBWBQAXZTISY-AWEZNQCLSA-N 306.454 2.185 0 50 DEAA Cn1c2[n+](c(=O)c3ccccc31)CC[C@@H]1c3ccccc3N[C@@H]21 90733848 KFASAPQSLORVRQ-CXAGYDPISA-N 304.373 2.480 0 50 DEAA biogenic,in-vitro FC(F)n1cccc1CNC1(c2ncccn2)CCOCC1 1363689748 FSZVZONDMSZUNK-UHFFFAOYSA-N 308.332 2.469 0 50 DEAA O=C([C@H]1CC12CCNCC2)N1CCC(Cc2cccnc2)CC1 423798523 JXIAQFTVAKYOLI-QGZVFWFLSA-N 313.445 2.252 0 50 DEAA Cc1n[nH]c(C)c1CCCNC(=O)c1cc(=O)[nH]c2ccccc12 67724934 CPOOMFQCBFXYRS-UHFFFAOYSA-N 324.384 2.231 0 50 DEAA Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)cc2)n1 65382180 OVOYXRHBSKKBLQ-IYBDPMFKSA-N 310.401 2.066 0 50 DEAA COc1ccccc1C[C@@H]1CCCN1C(=O)c1csnn1 123579986 BIAGBJVWTXPJEK-LBPRGKRZSA-N 303.387 2.394 0 50 DEAA CCOc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)CC2=O 6595643 VOBBHULYUCVFAR-VIFPVBQESA-N 317.263 2.400 0 50 DEAA CC(C)C[C@@H]1C(O)=NCCN1C(=O)c1ccc2nonc2c1 328598328 LILHFGXANBIKJC-CYBMUJFWSA-N 302.334 2.050 0 50 DEAA COCCn1ccnc1CN1CCC[C@H]1c1c(C)noc1C 215795299 LFSLWRWMQJOTSK-AWEZNQCLSA-N 304.394 2.471 0 50 DEAA O=C(c1ccccc1Oc1ccccc1)N1CCOC[C@@H](O)C1 77486721 USSFTMMOQXZRHG-AWEZNQCLSA-N 313.353 2.312 0 50 DEAA COc1ccccc1C(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 261999193 UVRQYORYLLSBLH-CYBMUJFWSA-N 317.263 2.174 0 50 DEAA O=C1CC[C@@H](Cn2cnc3sc4c(c3c2=O)CCCCC4)N1 32586949 YVJFLPPRTLSDEA-JTQLQIEISA-N 317.414 2.006 0 50 DEAA CC(C)[C@@H]1CN(C(=O)c2cnccn2)CCCN1CC1CC1 71751476 JJEXLBZQKHHPON-INIZCTEOSA-N 302.422 2.059 0 50 DEAA Cc1nn(C)c2ncc(C(=O)O[C@@H]3[C@H]4CCO[C@H]4C3(C)C)cc12 241644244 PPNKFOZSYHUNNE-IACUBPJLSA-N 315.373 2.247 0 50 DEAA O=C(Nn1c(S)nc2ccccc2c1=O)c1ccccc1F 17053120 FPNYZMSUULNZAM-UHFFFAOYSA-N 315.329 2.208 0 50 DEAA CC(C)Cc1nc(CN(C)C(=O)c2ccn(C(F)F)n2)no1 222933504 CRGREOFHSYGDIQ-UHFFFAOYSA-N 313.308 2.132 0 50 DEAA CC(C)(C)OC(=O)NCC(=O)Nc1ccc2nccnc2c1 195032028 ALYTWBCCAMCBGU-UHFFFAOYSA-N 302.334 2.093 0 50 DEAA CC(=O)c1[nH]c(C)c(C(=O)NCc2csc(N(C)C)n2)c1C 222534043 CUKUWZSVNZETQT-UHFFFAOYSA-N 320.418 2.287 0 50 DEAA CC[C@@H](C)C[C@@H](C)NC(=O)NCCc1cccc(C(N)=O)c1 176282064 GADVOFWPALRNKX-CHWSQXEVSA-N 305.422 2.452 0 50 DEAA CC(C)(C)OC(=O)N[C@@H](CO)c1ccc(Br)cn1 223157464 HMFGXAHOXMEWQU-JTQLQIEISA-N 317.183 2.402 0 50 DEAA Cn1c(CCNC(=O)C(C)(C)N2CCCC2)nc2ccccc21 426658365 LYKIQAFKXFEGLE-UHFFFAOYSA-N 314.433 2.106 0 50 DEAA O=C(O)[C@@H]1c2[nH]cnc2CCN1C(=O)CCCc1cccs1 95366763 WWKURVNENBAJQS-AWEZNQCLSA-N 319.386 2.005 0 50 DEAA O=C1[C@H]2CC[C@H](CN(CCOc3ccccc3)C2)N1CC1CC1 95359940 YDZXSPQBTQLLOY-DLBZAZTESA-N 314.429 2.398 0 50 DEAA CCN1CC2(CCC1=O)CCN(c1nc(C)cc(C)n1)CC2 91620393 FMYOTCMTPXMHJC-UHFFFAOYSA-N 302.422 2.322 0 50 DEAA Cc1ccc2sc(C(=O)N[C@@]3(CCO)CCOC3)cc2c1 292781396 GZLIOWPFEIZIOM-INIZCTEOSA-N 305.399 2.481 0 50 DEAA Cc1nc(C(=O)N2CCC(N3CCSCC3)CC2)cs1 96137521 FPGFDFQLMJMLPM-UHFFFAOYSA-N 311.476 2.105 0 50 DEAA O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)[C@H]1C=CCN1 534651644 UWBCGHDYQBHZMV-MQBCKMQZSA-N 324.428 2.481 0 50 DEAA C[C@@H]1CCCN(CCNC(=O)N2CC(Oc3ccccc3)C2)C1 534661991 OXTHHIZQYQFUHC-OAHLLOKOSA-N 317.433 2.191 0 50 DEAA Cc1cnn([C@@H](C)CNS(=O)(=O)c2cc(F)ccc2C)c1 534670811 OYTYDJCUWPXTJY-LBPRGKRZSA-N 311.382 2.179 0 50 DEAA O=C(CN1CCO[C@@H](C2CC2)C1)NCCc1cccc(Cl)c1 827836876 PJFXUBGQPPFNRD-MRXNPFEDSA-N 322.836 2.110 0 50 DEAA CS(=O)(=O)CCC(=O)NC1c2ccccc2-c2ccccc21 828018524 GXUPOIDOFKJEPI-UHFFFAOYSA-N 315.394 2.307 0 50 DEAA COc1cc(C(=O)N2CC3(CCCC3)[C@H]2C(=O)O)ccc1C 585134225 IZOOUWOEHXLYDY-CQSZACIVSA-N 303.358 2.473 0 50 DEAA Nc1nc(C(=O)N2CCC(Cc3cccnc3)CC2)cs1 584893123 IZLXUBIJRPTQFY-UHFFFAOYSA-N 302.403 2.215 0 50 DEAA Cc1nc(CC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)n[nH]1 1361816781 DESIKBPBJHHNBM-MRVPVSSYSA-N 307.423 2.287 0 50 DEAA CCOC(C)(C)C(=O)Nc1ccc(CC(=O)NC2CC2)cc1 952969760 CRZKUBSTLBABQJ-UHFFFAOYSA-N 304.390 2.261 0 50 DEAA O=C(CCN1CCC[C@H]1c1nc[nH]n1)Nc1ccc(F)cc1 408524253 RLQIMYDHBIVXLB-ZDUSSCGKSA-N 303.341 2.110 0 50 DEAA CC1CCN(CC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 185847232 JMMMXWXQEFTODZ-UHFFFAOYSA-N 316.405 2.334 0 50 DEAA Cc1conc1NC(=O)C(=O)N1CC[C@H](c2cccc(F)c2)C1 170681794 BSBFKFHJWQKKLH-LBPRGKRZSA-N 317.320 2.077 0 50 DEAA CN(CC1(CO)CC1)C(=O)NC[C@@H]1CCN(C)c2ccccc21 187007499 FYTIFUCZLYYYCQ-AWEZNQCLSA-N 317.433 2.024 0 50 DEAA CC(=O)c1ccccc1NC(=O)CN1C[C@H](C2CC2)O[C@H](C)C1 279373588 SCQBMQADDPOVAK-SJKOYZFVSA-N 316.401 2.327 0 50 DEAA O=C(Nc1cc(N2CCNCC2)ccn1)C1CCCCCC1 638988139 SWDFMAHBJSGLCP-UHFFFAOYSA-N 302.422 2.400 0 50 DEAA CCNc1ccc(Cl)cc1C(=O)N1CCC[C@H](CC(N)=O)C1 190295527 KIHCHRQNLWUOQN-LLVKDONJSA-N 323.824 2.499 0 50 DEAA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccon2)C1 190561443 ZLGJECPEVLRBEC-LBPRGKRZSA-N 320.418 2.034 0 50 DEAA O=C(NCc1ccc(F)cn1)N1CCCC[C@H]1c1cc[nH]n1 672951816 IIFYPHHKFRLCFQ-AWEZNQCLSA-N 303.341 2.381 0 50 DEAA CCc1nnc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)nc1CC 583616279 LPSCCBQKTHGTFR-CZUORRHYSA-N 316.380 2.448 0 50 DEAA Cn1c(CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)nnc1C1CC1 583614636 BQMQZERTJHOPAT-LSDHHAIUSA-N 316.380 2.140 0 50 DEAA COCc1cccc(C(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)c1 583619768 DUEZXARQDFEGBN-STQMWFEESA-N 316.323 2.327 0 50 DEAA Cc1ccc2ncnc(N3CC[C@@H](c4cc(O)nc(O)n4)C3)c2c1 585092797 ODAOPMRXZIVQOR-LLVKDONJSA-N 323.356 2.133 0 50 DEAA C[C@@]1(C(=O)NCc2nccs2)CC(c2ccccc2)=NO1 585114107 SQUYAIQXCQHTAA-HNNXBMFYSA-N 301.371 2.343 0 50 DEAA CC(C)C(=O)N1CCC(C(=O)N[C@@H]2COc3ccccc32)CC1 194871339 FISQREDLRZYLGD-OAHLLOKOSA-N 316.401 2.131 0 50 DEAA CC(C)n1ccc(CNC(=O)NCc2ccc(CN)cc2F)n1 652155839 OHPFKGBXYHSJJQ-UHFFFAOYSA-N 319.384 2.061 0 50 DEAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCCC(=O)O 195529627 DDNJXOVZIQWGIJ-UHFFFAOYSA-N 315.373 2.013 0 50 DEAA C=CC(=O)N(CC)CC(=O)N1CC[C@H](c2ccccc2C)C1 900486030 ZUYRSAZLZHVZQI-HNNXBMFYSA-N 300.402 2.345 0 50 DEAA O=C1OCC[C@H]1CCN1CCC[C@H]1c1nc2c([nH]1)CCCC2 780056265 JSIPYHASYQDVCP-DOMZBBRYSA-N 303.406 2.379 0 50 DEAA COC[C@H]1CC[C@H]1NC(=O)c1ccc(OC2CCOCC2)cc1 1615001566 WDNQWGLSADSERT-RHSMWYFYSA-N 319.401 2.399 0 50 DEAA CN1CCC(n2nccc2NC(=O)c2ccc(Cl)cn2)CC1 1506426355 OASZJJSOKYDQKI-UHFFFAOYSA-N 319.796 2.451 0 50 DEAA O=C(CNC(=O)c1ccc(Br)o1)Nc1ccccc1 2880270 MESXYCUVLNPCQF-UHFFFAOYSA-N 323.146 2.411 0 50 DEAA CC(C)c1ocnc1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704353097 QYBGTDJLINHTAM-ZIAGYGMSSA-N 315.373 2.181 0 50 DEAA CCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(OC)c2)n1 5154922 ZSFSTRNJMLWPSQ-UHFFFAOYSA-N 319.386 2.072 0 50 DEAA CCNC(=O)c1sc2ncnc(NCCCN(C)C)c2c1C 12165198 AYNCOSTYLMFWRU-UHFFFAOYSA-N 321.450 2.113 0 50 DEAA CN1CCC[C@]2(CCN(C(=O)c3ccc(Cl)s3)C2)C1=O 12478238 HWEUVTDZGKVBDN-CQSZACIVSA-N 312.822 2.486 0 50 DEAA COc1ccc(/C=C/C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC 4551076 MKOXNBVMVQMAOO-ZYARKTQMSA-N 305.374 2.353 0 50 DEAA CC[C@]12COC(=O)N1CCN(c1ncnc3cccc(F)c13)C2 1857696391 YJNYJHHVFJMTSO-INIZCTEOSA-N 316.336 2.190 0 50 DEAA O=C([C@H]1CC(=O)N(c2nc3ccccc3s2)C1)N1CC=CC1 1857711020 XKDWXQRDMRCOFA-NSHDSACASA-N 313.382 2.048 0 50 DEAA NCc1nc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)cs1 238042700 QPSHIPGWDGWNDJ-ZDUSSCGKSA-N 301.415 2.353 0 50 DEAA O=C(O)CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1)C1CCOCC1 238105053 IZWOUYZPMGVLKC-CABCVRRESA-N 321.348 2.021 0 50 DEAA CCOC(=O)c1cnc2c(OC)cccc2c1NC[C@@H](C)O 97696 VJFDDPLOPCDGLM-SNVBAGLBSA-N 304.346 2.213 0 50 DEAA Cc1cnc([C@H](C)CNC(=O)N[C@@H]2CC[C@@H](N(C)C)C2)s1 222295572 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O=C(N[C@H]1CCN(c2ccccc2)C1)c1cc(C(F)F)ncn1 932175498 XQRAMGMYXXTOIW-NSHDSACASA-N 318.327 2.423 0 50 DEAA O=C(c1ccc(OC(F)F)nc1)N1CCOc2ncccc2C1 935380599 JLEZNIYWJAJVGJ-UHFFFAOYSA-N 321.283 2.113 0 50 DEAA Cc1[nH]nc(CNC(=O)c2c(-c3cccnc3)noc2C)c1C 952881919 FHPRLHMSHWSOPZ-UHFFFAOYSA-N 311.345 2.315 0 50 DEAA COc1cc(Cc2c[nH]c(=N)[nH]c2=N)ccc1OCCCCF 1875374923 JWNHJCMKVDEFKR-UHFFFAOYSA-N 320.368 2.030 0 50 DEAA C=CC(=O)N(Cc1cc2c(cc1OC)C[C@H](C)O2)[C@H]1CCOC1 1875376502 ZBRZUGNUUUPUBJ-WFASDCNBSA-N 317.385 2.322 0 50 DEAA CN(Cc1cnc[nH]1)C(=O)[C@H](N)c1cccc(C(F)(F)F)c1 876955674 AKMALJYTWYVJQN-GFCCVEGCSA-N 312.295 2.087 0 50 DEAA CC(C)C[C@H]1CN(C)CCN1C(=O)c1cccc2[nH]ncc12 886591595 XWBAUXRTKGAKKS-ZDUSSCGKSA-N 300.406 2.365 0 50 DEAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC(NC2CCC2)CC1 889833876 OJPZMAGUFAZLRF-NSHDSACASA-N 304.438 2.263 0 50 DEAA O=C(NCc1ccccc1)N1CCOC[C@@H]1CC1CCOCC1 891418803 PNGXFVCOCANJBH-KRWDZBQOSA-N 318.417 2.414 0 50 DEAA CN(C)c1cc(N2CCC[C@H](Oc3ncccc3F)C2)ncn1 893545593 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0 50 DEAA CC(C)c1nccc(N2CCO[C@@H](CN(C)CC3CC3)C2)n1 328621153 AIMZQCPAHSROST-HNNXBMFYSA-N 304.438 2.147 0 50 DEAA NC(=O)N1CCCc2ccc(NCc3cnc4[nH]ccnc3-4)cc21 356387705 GTZHXJTZKWAUJW-UHFFFAOYSA-N 322.372 2.353 0 50 DEAA CCSCc1ccccc1C(=O)N1CCCN(C(N)=O)CC1 253430888 MHPMMNFJSCJRDY-UHFFFAOYSA-N 321.446 2.166 0 50 DEAA COc1cc(NC(=O)Nc2cc(C)c(=O)n(C)c2)cc(OC)c1 359213815 GOUMXYMKGUEOMP-UHFFFAOYSA-N 317.345 2.355 0 50 DEAA O=C(N1CCC[C@H](C(F)(F)F)C1)C1(O)Cc2ccccc2C1 360387814 AMBDXLWRJXURCQ-ZDUSSCGKSA-N 313.319 2.317 0 50 DEAA Cc1n[nH]cc1C(=O)NCCN1CCC2(CCCCC2)CC1 367036352 NSYCWMGCQVENEZ-UHFFFAOYSA-N 304.438 2.494 0 50 DEAA CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NCC2CC2)C1 71730549 WJBJGJLHODQJAA-UHFFFAOYSA-N 323.400 2.265 0 50 DEAA CO[C@@H]1CCOC[C@H]1NC(=O)CCSCc1ccccc1 219438431 DTIABVKSULSBAU-HUUCEWRRSA-N 309.431 2.230 0 50 DEAA C=CC(=O)Nc1ccc(C(=O)N[C@H](C)C2(OC)CCC2)cc1 490732489 MAVGAMJLNOMJQE-GFCCVEGCSA-N 302.374 2.499 0 50 DEAA C[C@@H](c1ccc(-c2cnc(C(=O)O)cn2)cc1)N1CCOCC1 216436275 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CC1(C)OC(=O)C[C@H]1C(=O)N1CCCC[C@H]1c1ccccn1 226848197 KIYDVIICZYIHNT-JSGCOSHPSA-N 302.374 2.477 0 50 DEAA O[C@H](CN1CCO[C@@H](c2nccs2)C1)c1cccc(F)c1 222213239 VJIXDYXIGCJKOG-ZIAGYGMSSA-N 308.378 2.389 0 50 DEAA Cc1nc(-c2cccc(NC(=O)c3ccc(C(=O)O)nc3)c2)n[nH]1 237824768 GOGKUFLXWHKCBS-UHFFFAOYSA-N 323.312 2.126 0 50 DEAA Cc1nc(C)c(-c2ccc(C(=O)NCCOCCO)cc2)s1 426633765 DFTGHAAININHSP-UHFFFAOYSA-N 320.414 2.166 0 50 DEAA CCCNc1ncc(CN2C[C@@H](N(C)C)[C@H](C(C)C)C2)cn1 95529005 YPZYTRIGUZEKAT-JKSUJKDBSA-N 305.470 2.317 0 50 DEAA NC1(C(=O)N[C@H]2CCCc3nc(-c4ccccc4)ncc32)CC1 91547462 ZFVUSETYAXBBOD-HNNXBMFYSA-N 308.385 2.129 0 50 DEAA COc1ccc(-c2cn(CCN3CCc4ccccc43)nn2)cn1 95359685 SCMYSAVRUXKKSA-UHFFFAOYSA-N 321.384 2.411 0 50 DEAA CCCc1cc(C(=O)N2CC[C@@]3(CCCNC3=O)C2)cs1 91872541 VNFBJUGFIWJOPM-INIZCTEOSA-N 306.431 2.443 0 50 DEAA CCc1cc(CN(C)CCC(=O)Nc2nnc(CC)s2)on1 244594212 DIJHMTQGOYGRPX-UHFFFAOYSA-N 323.422 2.112 0 50 DEAA CCN(CCSc1ccc(C)cc1)Cc1nc(C(N)=O)no1 244716027 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307.365 2.182 0 50 DEAA CC(C)CNC(=O)NC(=O)[C@@H](C)N1CC[C@H]1c1ccccc1 362184924 UQNRFIMKOANKRZ-HIFRSBDPSA-N 303.406 2.304 0 50 DEAA CC(C)C[C@@H](NC(=O)c1csc(-c2ccccn2)n1)C(=O)O 156180144 QOFKJNMDYLXJBY-LLVKDONJSA-N 319.386 2.434 0 50 DEAA O=C1CC[C@H](NCc2ccc(-n3ccnc3)cc2)C2(CCC2)N1 282598916 CUVCCLLKQUVXJE-INIZCTEOSA-N 310.401 2.163 0 50 DEAA COc1ccc(CN(C)C(=O)[C@@H]2CC23CCNCC3)cc1F 237277414 DZWRBSVSIHTNDJ-ZDUSSCGKSA-N 306.381 2.182 0 50 DEAA Cc1nc[nH]c1-c1nccn1Cc1cnn(-c2ccccc2)n1 71721652 ILEVLLFPYUOBAP-UHFFFAOYSA-N 305.345 2.211 0 50 DEAA COc1cccc([C@@H](C)n2ccnc2-c2cc3n(n2)CCNC3)c1 72407750 FZQWPIHDZNAAES-CYBMUJFWSA-N 323.400 2.468 0 50 DEAA CCn1cc(NC(=O)NCCOCc2ccccc2)ccc1=O 176317505 AOYBLGQPWRSAEI-UHFFFAOYSA-N 315.373 2.207 0 50 DEAA COc1ccccc1CCCNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 426498545 LBIIPVJZSLASOI-UONOGXRCSA-N 305.374 2.245 0 50 DEAA COc1cc(C)c(NC(=O)c2cnc(C(=O)O)cn2)c(C)c1C 263522202 HTCZDKQSBRMOPU-UHFFFAOYSA-N 315.329 2.361 0 50 DEAA CCN(CC(=O)N(C)c1nccs1)[C@H]1CCOC(C)(C)C1 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319.368 2.241 0 50 DEAA Cc1cn(CC(=O)N2CCC[C@H](C(=O)O)C2)c2ccccc12 225456283 SBGRVVHSHRERCH-ZDUSSCGKSA-N 300.358 2.273 0 50 DEAA Cc1nc(C)c(F)c(N2CCC[C@@H]2c2ccc(N(C)C)nn2)n1 643686849 RJMGYFJLYSIISK-CYBMUJFWSA-N 316.384 2.430 0 50 DEAA C[C@@H](c1ccc(F)nc1)N1CCC(C)(C)S(=O)(=O)CC1 585133906 ZLLWGHKKKICWMD-NSHDSACASA-N 300.399 2.181 0 50 DEAA Cc1ccc(CCNC(=O)[C@H]2CCc3nc(C)nn3C2)c(C)c1 930751964 ROYWXJKUITYIPV-INIZCTEOSA-N 312.417 2.125 0 50 DEAA Cc1cc(N)n(CC(=O)NCc2ccc(C(F)(F)F)cc2)n1 1875314280 PXBZQNFPBQPKIF-UHFFFAOYSA-N 312.295 2.109 0 50 DEAA N[C@@H](C(=O)NC[C@H]1CCCSC1)c1c(F)cccc1F 1875314977 CJRNMVQXOVFBDY-NOZJJQNGSA-N 300.374 2.224 0 50 DEAA C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(C(=O)O)cc1F 887557240 DPFMGMVLSXJRDL-XHDPSFHLSA-N 320.364 2.223 0 50 DEAA O=C(c1ccc2nccnc2c1)N1[C@H](CO)C[C@@H]2CCCC[C@@H]21 1776006909 ZKZWVJRRWBPWJD-JDFRZJQESA-N 311.385 2.395 0 50 DEAA CSc1cnc2ccccc2c1N1CC[C@@H](CO)[C@@H](O)C1 2325736528 UNVZOXWPNDIFII-FZMZJTMJSA-N 304.415 2.136 0 50 DEAA NC[C@@H](NC(=O)c1ccc2cnccc2c1)c1ccc(CO)cc1 2325776396 HFIFADMEMSAGLN-GOSISDBHSA-N 321.380 2.157 0 50 DEAA Brc1cccc2[nH]c(=NCCc3ncc[nH]3)oc12 2325859553 APCMXSSYFDFPCF-UHFFFAOYSA-N 307.151 2.390 0 50 DEAA O=C1CCC(=O)N1c1cccc2c(N3C(=O)CCC3=O)cccc12 198371 OYNBULFUIYFDDM-UHFFFAOYSA-N 322.320 2.147 0 50 DEAA C[C@@]1(O)CCOC2(CCN(CCOc3ccccc3)CC2)C1 2356159635 KOXNLDORPBKCGB-QGZVFWFLSA-N 305.418 2.461 0 50 DEAA O=C(c1ccc2nccn2c1)N1CCN(c2ccc(F)cc2)CC1 57824389 SDCVJGIIQHXBKK-UHFFFAOYSA-N 324.359 2.436 0 50 DEAA CC(=O)N1CC[C@@H](CN(C)C(=O)N2c3ccccc3C[C@H]2C)C1 225500628 FNBUDJAQVFAWTD-HIFRSBDPSA-N 315.417 2.358 0 50 DEAA CN(Cc1ccc2nsnc2c1)Cc1cnn2cccnc12 67643477 LKPPAOQSXHMLKX-UHFFFAOYSA-N 310.386 2.366 0 50 DEAA Cc1cc(N2CCCCC2)nc(NCCNC(=O)C(C)(C)C)n1 67602115 MUCNWUSTIPITIJ-UHFFFAOYSA-N 319.453 2.350 0 50 DEAA CC(C)c1nc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)cs1 330156876 YYDGSFZLKKOWMO-UHFFFAOYSA-N 321.324 2.071 0 50 DEAA CCC[C@@H]1SCCN1C(=O)C1CCN(c2cnccn2)CC1 124526010 GNRDRQATJGNZOS-HNNXBMFYSA-N 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COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1F 179355680 BHCVRVUEBWGQSY-CYBMUJFWSA-N 318.352 2.249 0 50 DEAA CCOC[C@H]1CCCN1C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 97711645 QTTNDEUJBOHPIM-CYBMUJFWSA-N 315.373 2.423 0 50 DEAA CN1CCCCC[C@H]1C(=O)NCc1ccc2c(c1)OCCCO2 95378456 UFLSVZGBTFGQJT-HNNXBMFYSA-N 318.417 2.339 0 50 DEAA O=C(CCO)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 91319970 HILTUZVYZTYXDP-ZDUSSCGKSA-N 321.327 2.027 0 50 DEAA CCCc1nc(C(=O)N2CCC(n3cnnc3)CC2)cs1 91536220 WDBHZVUFCHDXCS-UHFFFAOYSA-N 305.407 2.164 0 50 DEAA Cc1cc(C(=O)N2CCCC[C@H]2CN2CCOCC2)ccc1F 92036752 XBBRNCFXYSNHJV-INIZCTEOSA-N 320.408 2.461 0 50 DEAA Cc1cc(NCCCn2ccnn2)nc(-c2ccccc2O)n1 91535061 BTCVUGKNELVENY-UHFFFAOYSA-N 310.361 2.251 0 50 DEAA Cc1cnc(CNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cn1 91585675 APTOMYOLFQIPLE-UHFFFAOYSA-N 311.320 2.244 0 50 DEAA C[C@@H](NC(=O)CCN1CC(N2CCCCC2)C1)c1ccccc1 240517186 NWKVPAZGIVBCNZ-MRXNPFEDSA-N 315.461 2.424 0 50 DEAA CCC1=NO[C@@H](CN2CCC(c3nnc4ccccn34)CC2)C1 244817106 SUKXDNZTAIHQHI-OAHLLOKOSA-N 313.405 2.464 0 50 DEAA CC[C@@H](CSC)NS(=O)(=O)c1ccc(NC(C)=O)cc1 181623558 HFEYBVFRANREKF-NSHDSACASA-N 316.448 2.065 0 50 DEAA CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@@H]2C(=O)O)cc1 299750404 NKFIFTIMSYXAJJ-HRCADAONSA-N 317.385 2.226 0 50 DEAA O=C(NCC1CC1)c1cc2n(n1)C[C@@H](c1ccc(F)cc1)OC2 263615623 DHWLJWQVOFPFEA-INIZCTEOSA-N 315.348 2.434 0 50 DEAA O=C(COCC(F)(F)F)N[C@H]1CCCC[C@H]1n1cccn1 365777133 LRKRJGUGSUHOBB-WDEREUQCSA-N 305.300 2.062 0 50 DEAA CCc1cccc(NC(=O)N(C)Cc2nncn2CCOC)c1 299787016 OQAYNUYNCULQFI-UHFFFAOYSA-N 317.393 2.151 0 50 DEAA COc1ccc(NC(=O)NCCN2CCCCC2=O)c(C)c1 299790212 BMHWNZKNQVMWFO-UHFFFAOYSA-N 305.378 2.138 0 50 DEAA Cc1cc(C[C@@H](C)NC(=O)Nc2ccc3c(cnn3C)c2)[nH]n1 299759905 OSEGQLITCWYPSV-SNVBAGLBSA-N 312.377 2.358 0 50 DEAA CCOCCOc1ccccc1NC(=O)N1CCC[C@@H](N)C1 299802676 NHJNPTHOHZRAKI-CYBMUJFWSA-N 307.394 2.057 0 50 DEAA COc1cccc(SCC(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)c1 824788037 ZGJYANLQTZCVAC-ITGUQSILSA-N 307.415 2.302 0 50 DEAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCOC1 827778773 XXNJUPNLSPWTMO-SNVBAGLBSA-N 307.781 2.302 0 50 DEAA Cc1nc(-c2cccc(NC(=O)c3cn(C)c(C)cc3=O)c2)n[nH]1 670414744 MATFLNDZXJNZHH-UHFFFAOYSA-N 323.356 2.040 0 50 DEAA CCc1ccc(O)c(NC(=O)C2CC3(C2)C[C@H](N)CCO3)c1 1334858721 RYRICWNBDQCMQR-UIORMTCPSA-N 304.390 2.180 0 50 DEAA Cc1cc(N2CCO[C@@H](c3cccs3)C2)n2ncnc2n1 268421764 XMDNAUGKDGUWRM-LLVKDONJSA-N 301.375 2.072 0 50 DEAA CO[C@@H](C(=O)N1CCc2ccccc2[C@@H]1CO)c1ccccc1 185688853 KYKAJVHCGJTHBY-ZWKOTPCHSA-N 311.381 2.492 0 50 DEAA Cn1nc(CCNS(=O)(=O)c2cccs2)c2ccccc21 186185369 WBPRCUKBTPPHKO-UHFFFAOYSA-N 321.427 2.156 0 50 DEAA COc1cccc2c(N3CCC4(CC3)CNC(=O)C4)ccnc12 275627344 SUPNIAKNFXTTOD-UHFFFAOYSA-N 311.385 2.350 0 50 DEAA OCc1cn([C@@H]2CCCC[C@@H]2NCCc2ccccc2F)nn1 276345464 UZEHYNKVKLEEHT-DLBZAZTESA-N 318.396 2.226 0 50 DEAA CC[C@H](C)[C@@H]1NC(=O)N(Cc2ccnc(OC3CCC3)c2)C1=O 170068453 PNAXBLYLBQOIIU-NHYWBVRUSA-N 317.389 2.479 0 50 DEAA CCOc1cccc(CN2CCOC[C@@H]2c2nc(C)no2)c1 170596324 OTRKQKOPXZLXNV-OAHLLOKOSA-N 303.362 2.350 0 50 DEAA C[C@@H](NC[C@@H](O)CC1(O)CCOCC1)c1ccccc1Cl 634636705 IYGVGZYZSNZRNQ-OLZOCXBDSA-N 313.825 2.283 0 50 DEAA COc1cccc2c1CC[C@H]2NC(=O)c1cn(C(C)(C)C)nn1 189356785 XFOXFRJXHBPGEO-CYBMUJFWSA-N 314.389 2.459 0 50 DEAA CO[C@@]1(c2nnc(COc3ccc4[nH]ccc4c3)o2)CCOC1 643648767 SOQHQFOLCAAKGI-INIZCTEOSA-N 315.329 2.392 0 50 DEAA Cc1ccc(CC(=O)NCCN2CCc3ccccc3C2)cn1 194159093 DUHUUBPKIPKSAC-UHFFFAOYSA-N 309.413 2.107 0 50 DEAA CC(C)(CCCO)CNS(=O)(=O)[C@H]1C[C@H]1c1ccccc1 1614994216 SOHOIZWIOUYVNY-GJZGRUSLSA-N 311.447 2.261 0 50 DEAA Nc1nc(O)cc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1 1616035668 BSDXQEVDLZIGLO-LLVKDONJSA-N 324.743 2.135 0 50 DEAA CN(C)S(=O)(=O)N(C)Cc1csc(-c2ccccc2)n1 1529186540 HNPPRBOIFFMPRU-UHFFFAOYSA-N 311.432 2.048 0 50 DEAA CCOc1ccc(CN(CCN(C)C)Cc2cnc(C)[nH]2)cn1 1704325682 PNCINYBJNFOESN-UHFFFAOYSA-N 317.437 2.076 0 50 DEAA COc1nc(N2CCC(Oc3ccncc3)CC2)ncc1F 1772700911 JSZARUROMVJUSP-UHFFFAOYSA-N 304.325 2.067 0 50 DEAA Cc1ccc(C)c(N2CCN(C[C@H]3CCC(=O)N(C)C3)CC2)c1 1772817218 MNQFUEVWJRQEJT-KRWDZBQOSA-N 315.461 2.294 0 50 DEAA COCCNC(=O)CCC1CCN(C(=O)[C@H]2CC=CCC2)CC1 11818606 WONSRRXNJAQUNL-INIZCTEOSA-N 322.449 2.124 0 50 DEAA O=C(N[C@H]1CCCN(C2CCCCCC2)C1)c1cnccn1 12074807 ILGMJSREOQAWPI-AWEZNQCLSA-N 302.422 2.394 0 50 DEAA C[C@H](CN(C)Cc1c[nH]c(-c2ccccc2)n1)N1CCOCC1 19957249 OKMYINXIVMHQMJ-OAHLLOKOSA-N 314.433 2.229 0 50 DEAA O=C(Cn1nc2c(cc1=O)CCCC2)Nc1cccc2[nH]ccc12 169772709 UJKLIMFZLHBPOX-UHFFFAOYSA-N 322.368 2.242 0 50 DEAA O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1ccn2ncnc2c1 1857678833 BEWWXYIGCZKXIE-LBPRGKRZSA-N 321.262 2.158 0 50 DEAA CCCc1cnc(C)nc1N1CCN2C(=O)OC[C@@]2(CC)C1 1857682920 RESWJNHSYBXLMX-MRXNPFEDSA-N 304.394 2.159 0 50 DEAA Cn1cc(CCn2ccnc2-c2cn(-c3ccccc3)nn2)cn1 1857709247 NHHXMRZOAKXEJV-UHFFFAOYSA-N 319.372 2.107 0 50 DEAA Cc1ncsc1C(=O)N1CCC[C@H](c2nncn2C2CC2)C1 109861711 FLWUGJMAKWWWPV-NSHDSACASA-N 317.418 2.398 0 50 DEAA O=C(c1snnc1C1CC1)N1CC2(CCOCC2)[C@H]1C1CC1 329296934 KSRVMZBSWWMVGW-CQSZACIVSA-N 319.430 2.447 0 50 DEAA Cn1nccc1-c1ccccc1CN1CCC[C@@](F)(CO)C1 353493140 RUJFFUFLOIAXHK-KRWDZBQOSA-N 303.381 2.384 0 50 DEAA COCC(C)(C)NCC(=O)Nc1ccc(Br)cc1 158058705 RKZDTUKEDVMGMZ-UHFFFAOYSA-N 315.211 2.402 0 50 DEAA O=C(O)c1cccc(Cl)c1CN1CCOC[C@]12CCOC2 582851527 OOMASODHHCASIT-OAHLLOKOSA-N 311.765 2.030 0 50 DEAA Cc1ccc(CCCCC(=O)N2CCOC[C@H]2C(=O)O)cc1 262550021 WVIJRHFTJDXFPK-HNNXBMFYSA-N 305.374 2.020 0 50 DEAA O=C(O)c1ccc(C(=O)N2CCC[C@H]2C2CCOCC2)s1 263567360 GNLXWZNRIUBMAG-NSHDSACASA-N 309.387 2.478 0 50 DEAA O=C(Nc1cccnc1)c1ccc(NC(=O)[C@@H]2CCCNC2)cc1 164552072 OHAYJACEXROMHT-CQSZACIVSA-N 324.384 2.272 0 50 DEAA CO[C@@H]1CCC[C@@H]([C@H](NCc2ccc3c(n2)CCC3)C(=O)O)C1 901760563 GQSXOVMUMUXMNH-UNEWFSDZSA-N 318.417 2.318 0 50 DEAA COc1cccc([C@H](CC(=O)O)NC(=O)c2cc(C)sn2)c1 908857064 UUNCBGRVRMNDQO-LBPRGKRZSA-N 320.370 2.406 0 50 DEAA O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@H]1CCC[C@H]1C(=O)O 952886907 ZDXJVRBMXXISDU-ZRUFSTJUSA-N 323.311 2.246 0 50 DEAA Cc1nc(N(C)C)sc1C(=O)N1CC[C@]2(CCCOC2)C1 952961829 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CCN1CCN(C(=O)c2cc3c(C)cc(C)c(C)c3[nH]2)CC1=O 2325734821 FIHGJIYOTGPTAX-UHFFFAOYSA-N 313.401 2.397 0 50 DEAA O=C(c1n[nH]c2c1CCC2)N1CCOC[C@@H]1c1ccccc1F 2325813084 JWVGSBMWPUPHGL-OAHLLOKOSA-N 315.348 2.251 0 50 DEAA O=C1C[C@H](CO)CN1c1ccc(-c2ccc3nonc3c2)cc1 2325861393 OLZMJZSTYWYPAN-NSHDSACASA-N 309.325 2.235 0 50 DEAA CCn1cc(CS(=O)(=O)Cc2sccc2Cl)nn1 899971275 MYUFRXCMGMYACD-UHFFFAOYSA-N 305.812 2.128 0 50 DEAA C[C@@H]1CC(C)(C)N(C(=O)CN2C(=O)CCC2=O)c2ccccc21 169751 LRDUMSITDDADMB-GFCCVEGCSA-N 314.385 2.454 0 50 DEAA COc1ccc(OC)c(NC(=O)CNC(=O)c2cccs2)c1 527865 HKGKGQGXSQXNGJ-UHFFFAOYSA-N 320.370 2.134 0 50 DEAA O=C1N(CCO)CCC[C@@]12CCCN2CCCc1ccccc1 2356142740 FNHJNFOSPCXXJV-LJQANCHMSA-N 316.445 2.069 0 50 DEAA Cc1cc([C@H]2CCCN2C(=O)c2ccc3c(n2)N(C)CC3)on1 2356149609 LUGUUZWDJWOTET-CQSZACIVSA-N 312.373 2.348 0 50 DEAA CCOc1ccc(N2C[C@H](C(=O)N3CCCCC3)CC2=O)cc1 4834956 OUGIGHRHEXIVIA-CQSZACIVSA-N 316.401 2.451 0 50 DEAA CCOc1cc(C=O)ccc1OCC(=O)NCc1ccco1 6605990 CMVGMNBRXVBTKV-UHFFFAOYSA-N 303.314 2.186 0 50 DEAA CC(C)OC(=O)[C@H]1[C@@H]2C(=O)N(C3CCCCC3)C[C@@]23C=C[C@H]1O3 100833737 NBRKDTGLWWFFIZ-ADAWSYLGSA-N 319.401 2.053 0 50 DEAA biogenic O=C(CCN1CCCCCCC1)NC[C@H](O)Cc1ccccc1 55119010 DYWTWYRSMHNPDG-GOSISDBHSA-N 318.461 2.362 0 50 DEAA CCCOC[C@@H]1CCN(C(=O)CSc2nnc(C)s2)C1 55182801 PRNCQMHSCPVLTQ-LLVKDONJSA-N 315.464 2.214 0 50 DEAA COc1ccc(OC)c(NC(=O)CC(=O)N2CCCCCC2)c1 55053675 MVHSZDRRRHKQLW-UHFFFAOYSA-N 320.389 2.435 0 50 DEAA CCC(=O)Nc1cccc(C(=O)NCc2snnc2C)c1 55414975 GIFRMWGEORQHEV-UHFFFAOYSA-N 304.375 2.125 0 50 DEAA CC[C@@H](CO)N(Cc1ccccc1C)C(=O)C1(C)CCNCC1 65502850 JOTAHOFIGPSBFJ-KRWDZBQOSA-N 318.461 2.484 0 50 DEAA NCCc1ccc(CN2CCC(Oc3ncccn3)CC2)cc1 215234968 QOLDVRBNIYHQTQ-UHFFFAOYSA-N 312.417 2.021 0 50 DEAA CN(Cc1ccc(Cl)cc1)C(=O)[C@](C)(O)C1CCOCC1 430872228 HAJXWCNWBAHJST-MRXNPFEDSA-N 311.809 2.476 0 50 DEAA Cc1cscc1NC(=O)N1CCN(c2cnccn2)CC1 124044634 YRCPWMXIXRINSN-UHFFFAOYSA-N 303.391 2.201 0 50 DEAA CS(=O)(=O)c1cnc(-c2ccccc2)nc1[C@H]1CCCNC1 71576039 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C[C@H]1COCC[C@@H]1NCCS(=O)(=O)c1ccc(Cl)cc1 192126028 LCRGDTAYOHWKPB-FZMZJTMJSA-N 317.838 2.128 0 50 DEAA O=C(c1ccncc1C(F)(F)F)N1CC[C@H](n2cccn2)C1 291062946 AJZLLAAZNDVCIN-JTQLQIEISA-N 310.279 2.384 0 50 DEAA COC(=O)c1ccc2ccn(Cc3cscn3)c(=O)c2c1 95355135 GHRIYCTVZXZQAE-UHFFFAOYSA-N 300.339 2.293 0 50 DEAA NC(=O)C1(NC(=O)c2cnc3ccc(F)cc3c2)CCCCC1 179034569 IKLHQDJRAGZHLF-UHFFFAOYSA-N 315.348 2.292 0 50 DEAA O=C1CC[C@]2(CCOC2)CN1Cc1ccc(-n2cccn2)cc1 91644424 JNPHODQHJWWLJE-SFHVURJKSA-N 311.385 2.401 0 50 DEAA CNC[C@H]1CCN(C(=O)c2cccn2Cc2cccs2)C1 179026272 XHDQZWNSGYDBAU-CYBMUJFWSA-N 303.431 2.279 0 50 DEAA C[C@@H]1CN(C(=O)CCCOc2ccccc2)C[C@@]1(O)C1CC1 91551286 GCTSMMSWCJHVMH-KDOFPFPSSA-N 303.402 2.465 0 50 DEAA Cc1noc2ncnc(NC[C@H](CO)Cc3ccsc3)c12 95392715 PSIQNVJQUGBYFM-LLVKDONJSA-N 304.375 2.251 0 50 DEAA O=C1C[C@H](C(=O)N[C@H]2CC[C@H](n3cnnc3)CC2)c2ccccc21 244742288 OEXZWFBVHSTVAC-XEZPLFJOSA-N 324.384 2.248 0 50 DEAA Cn1cccc1C(=O)N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1 181894857 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Sc1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCO1 17031186 ODAJSLAXFMDEGN-JTQLQIEISA-N 305.359 2.142 0 50 DEAA CN1c2cc(C(=O)NC3CCCC3)ccc2C(=O)N2CCC[C@H]21 169765938 NWKIXAVUXRMGJU-INIZCTEOSA-N 313.401 2.371 0 50 DEAA CC(C)(O)[C@@H]1CCCN1C(=O)Cc1cnn(-c2ccccc2)c1 332157198 IIZOBMBXSIEJOM-INIZCTEOSA-N 313.401 2.177 0 50 DEAA CC(C)c1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)n(C)n1 236598982 OLQIDRQYGCCTQS-LBPRGKRZSA-N 307.394 2.261 0 50 DEAA C[C@]1(C(=O)O)CCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 237643259 YWLUSKLBNLZNEQ-YOEHRIQHSA-N 303.358 2.014 0 50 DEAA Cc1cc(C(=O)NC[C@@]2(O)CCCC2(C)C)nn1C(F)F 355718782 ZWJXLIMIWMLLLC-AWEZNQCLSA-N 301.337 2.258 0 50 DEAA C[C@@H](CN1CCCCC1)NC(=O)c1cc2c(cn1)OCCC2 363710108 LHTOSRPVOCZZTL-ZDUSSCGKSA-N 303.406 2.011 0 50 DEAA Cc1nc(-c2ccccc2CN2CCSCC2)[nH]c(=O)c1F 23310886 HBURWPZZYKXCMQ-UHFFFAOYSA-N 319.405 2.433 0 50 DEAA Cc1ccccc1[C@H](CC(=O)O)NC(=O)[C@@H](C)n1cccn1 262071503 ITFVYGICYFOYHL-OCCSQVGLSA-N 301.346 2.085 0 50 DEAA CC(C)Cn1ncc(C(=O)N2CCC[C@@](F)(CO)C2)c1C1CC1 376570487 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2868857 AYSILRDXUACPSH-CYBMUJFWSA-N 324.446 2.208 0 50 DEAA O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCCC1 4185365 UIRWJZLYUYNFHW-UHFFFAOYSA-N 304.434 2.332 0 50 DEAA C[C@H]1CN(c2cnn(-c3ccccc3)c(=O)c2Cl)C[C@H](C)O1 6661512 XLYCNNRKALVJPO-RYUDHWBXSA-N 319.792 2.500 0 50 DEAA COc1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1 6731234 KXHFLXPTFLDHOF-UHFFFAOYSA-N 313.325 2.452 0 50 DEAA CCC[C@H](C)CS(=O)(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 221924079 NHOZXKDIMLWSPD-ILXRZTDVSA-N 304.500 2.462 0 50 DEAA COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccccc2)cc1 10543564 ADMQBHRPPBZZTO-ZDUSSCGKSA-N 321.398 2.441 0 50 DEAA Cc1c(-c2ccnc(N3CCC(C)CC3)n2)cnc2ncnn12 54201974 NMTDJHZGMHXASF-UHFFFAOYSA-N 309.377 2.126 0 50 DEAA CCCO[C@H]1CCCN(C(=O)NCCCn2ccnc2C)C1 62654794 HAFRIAMGDGESRS-HNNXBMFYSA-N 308.426 2.182 0 50 DEAA CC(=O)c1cccc(NC(=O)N2CC[C@@]3(CCCNC3)C2)c1 67833418 KDLJLHIONIEFSW-QGZVFWFLSA-N 301.390 2.497 0 50 DEAA COc1ccc2c(c1)C[C@@H](NCCCn1nc(C)nc1C)CC2 67692864 OLMBDRFPXSTCLC-KRWDZBQOSA-N 314.433 2.441 0 50 DEAA CN(C)[C@@H](C(=O)NCCc1ccncc1)c1ccc(F)cc1 65380863 XTKCKPXDAKXFAX-MRXNPFEDSA-N 301.365 2.182 0 50 DEAA CO[C@@H]1CCCCC[C@@H]1NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C 252586327 PGAOUQYWQMTSAU-FXUDXRNXSA-N 311.470 2.316 0 50 DEAA Cn1cc([C@H]2OCCC[C@@H]2NCc2nc3c(s2)CCC3)cn1 328629730 IPHNCTXKBQJCRX-XJKSGUPXSA-N 318.446 2.375 0 50 DEAA Cc1occc1C(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1 328626448 LRVKQIPOJYZKDS-CYBMUJFWSA-N 315.373 2.343 0 50 DEAA C[C@@H]1OCC[C@@H]1NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328627680 GMCACEDVTRHXPC-DCAQKATOSA-N 303.328 2.231 0 50 DEAA O=C(Nc1ccc(F)cn1)N1CCC(N2CCCCC2=O)CC1 122976351 YRPHWKSMPVGLCX-UHFFFAOYSA-N 320.368 2.230 0 50 DEAA CCc1cnccc1CN1C(=O)N[C@H](Cc2ccccc2)C1=O 432372991 KDKIJOWTEATRFN-MRXNPFEDSA-N 309.369 2.307 0 50 DEAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)CSc1ccccn1 77322063 ULZXTGHYADVOPY-CYBMUJFWSA-N 321.446 2.033 0 50 DEAA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCN2 314247081 JSZRAMBKGQABNT-UHFFFAOYSA-N 319.342 2.364 0 50 DEAA CCC1(C)CN(C(=O)NC2CCC(CS(C)(=O)=O)CC2)C1 332413884 ASPDSHOMENOHIB-UHFFFAOYSA-N 316.467 2.031 0 50 DEAA C[C@@H]1CN(C(=O)CCc2ccccc2Br)CCN1 155196043 ILCJLMZTDNCYQK-LLVKDONJSA-N 311.223 2.202 0 50 DEAA Cc1nc(NCC2(CN3CCCC3)CC2)cc(C2CC(O)C2)n1 218828829 ULAPRFUSTFCROJ-UHFFFAOYSA-N 316.449 2.311 0 50 DEAA CC1=C(C)CN(C(=O)NCC(=O)N2CCc3ccccc32)CC1 282010436 PHWWBFWSIGLVED-UHFFFAOYSA-N 313.401 2.327 0 50 DEAA CC(C)OC[C@H]1CN(C(=O)c2ccccc2CN(C)C)CCO1 368281355 VNOLGOGMEKIQIR-MRXNPFEDSA-N 320.433 2.014 0 50 DEAA Cc1cccc2[nH]c(CCC(=O)N3CC[C@@H](N)C[C@@H]3C)nc12 237591240 NRDOFHQVTMYKKP-QWHCGFSZSA-N 300.406 2.142 0 50 DEAA Cc1nc2n(c1C)CCN(C(=O)[C@H]1CCOc3ccccc31)C2 370934772 KKRKYRKRHMVOAM-HNNXBMFYSA-N 311.385 2.408 0 50 DEAA CN(Cc1ccc(OCCO)cc1)Cc1cc(C2CC2)n[nH]1 215897560 KJYIXXHKOLEABO-UHFFFAOYSA-N 301.390 2.290 0 50 DEAA CN(C)C/C=C/C(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1 493435158 QKYUEKIYBHEBEW-AHKGRUIUSA-N 314.429 2.485 0 50 DEAA NC(=O)c1cccc(Cc2noc([C@H]3CC34CCOCC4)n2)c1 377478198 PFEANYIKHLXIKJ-CYBMUJFWSA-N 313.357 2.043 0 50 DEAA CC(C)c1nccn1CCCNC(=O)[C@H](O)c1ccccc1F 215947548 FCCCDYQJPPIUIN-OAHLLOKOSA-N 319.380 2.386 0 50 DEAA Cc1ccc(OCC(=O)N2CCN(c3ccccc3)C(=O)C2)cc1 74756935 HYCUKMJIZJMTTC-UHFFFAOYSA-N 324.380 2.249 0 50 DEAA CC(C)CCOc1ccc(NC(=O)NC[C@](C)(O)C(=O)O)cc1 263076796 QRVDXNDYWDDWGP-INIZCTEOSA-N 324.377 2.069 0 50 DEAA COCc1ccc(NC(=O)N2CCOC3(CCOCC3)C2)cc1 241371375 MNAZGDJVRPCSNX-UHFFFAOYSA-N 320.389 2.246 0 50 DEAA CN(C)C[C@@]1(O)CCCN(C(=O)c2sccc2Cl)CC1 72173981 BIFIHTVTYMXERG-CQSZACIVSA-N 316.854 2.320 0 50 DEAA CN(C)C(=O)c1ccc(C(=O)Nc2cnn(CC3CC3)c2)cc1 173346220 IZRSUUIHALXNQR-UHFFFAOYSA-N 312.373 2.247 0 50 DEAA Cc1cc(O)nc(N2CC[C@H](NC(=O)O[C@H](C)CC(C)C)C2)n1 1364924703 PKYYTEUGKJVHGT-OLZOCXBDSA-N 322.409 2.230 0 50 DEAA Cc1[nH]ncc1C(=O)N1CCCC[C@@H]1c1n[nH]c(C(C)C)n1 289242328 ZQYIZHUXCMIJIZ-GFCCVEGCSA-N 302.382 2.327 0 50 DEAA C[C@H]1CCc2c(-c3nnc(SCC(N)=O)n3C)csc2C1 17056222 FNHLGUAVCNRQDJ-QMMMGPOBSA-N 322.459 2.246 0 50 DEAA CNC(=O)[C@H]1CCCN1C(=O)c1cncc(-c2ccc(C)cc2)c1 177482746 ZUCVHSCPJUIBSB-QGZVFWFLSA-N 323.396 2.408 0 50 DEAA Cc1nccn1C[C@@H]1CCCN1C(=O)NOCc1ccccc1 176128753 AZLQNOJGZYLCJG-INIZCTEOSA-N 314.389 2.497 0 50 DEAA CN(CC(=O)NCCc1cccnc1)Cc1ccc(F)cc1 220119864 HUQAMQVRVRUBBN-UHFFFAOYSA-N 301.365 2.011 0 50 DEAA COCCN1C[C@@H](Cc2ccc(C(F)(F)F)nc2)CC1=O 223191170 DHQAIHIRGKIFHL-NSHDSACASA-N 302.296 2.138 0 50 DEAA CCn1nc(C)c(-c2cc(C(=O)OC)n3nc(C)cc3n2)c1C 20605009 GBTAQRHZJMRETG-UHFFFAOYSA-N 313.361 2.325 0 50 DEAA CSc1ncc(CNC(=O)CC2CCN(C(C)C)CC2)n1C 95386367 RREQKMRCOPFZMQ-UHFFFAOYSA-N 324.494 2.269 0 50 DEAA O=C(NCC[C@@H]1CCNC1)[C@H]1CCCN(Cc2ccccc2)C1 178956934 IRYYMANXKWOKDT-WMZOPIPTSA-N 315.461 2.014 0 50 DEAA CC(C)n1cc(C(=O)N(C)[C@H](C(=O)O)c2cccs2)cn1 95528145 NNVLYETULWGVGH-LBPRGKRZSA-N 307.375 2.423 0 50 DEAA Cc1cc(C)cc(NC(=O)CN2CCN(c3ccccn3)CC2)c1 95349167 JWXSJWMGWGUZFI-UHFFFAOYSA-N 324.428 2.459 0 50 DEAA O=S(=O)(Cc1ccc(F)cc1)NCC[C@@H]1CCCOC1 528446985 FNHOOOZYELBHIF-LBPRGKRZSA-N 301.383 2.062 0 50 DEAA CC[C@@H](C)[C@H](CO)NC(=O)c1cccc(Nc2ncccn2)c1 252479339 BDHDNRUAWHWWRX-DOMZBBRYSA-N 314.389 2.357 0 50 DEAA C[C@]1(C(=O)NCc2nc(-c3ccccc3F)no2)CCCCO1 299794649 LBMOEOQJBJQLSM-MRXNPFEDSA-N 319.336 2.451 0 50 DEAA Cc1sc2nc(CNC(=O)CCCn3cccn3)cn2c1C 299791738 DGSLMIVJOGVTFB-UHFFFAOYSA-N 317.418 2.306 0 50 DEAA CC(C)[C@H](NC(=O)CCOc1ccccc1)c1ncnn1C 299764852 NNHHPZPKWAHLFA-HNNXBMFYSA-N 302.378 2.098 0 50 DEAA CN1CCCC2(CC1)CCN(Cc1cnc(N(C)C)nc1)CC2 823777499 CCFMCCDVTMYPFZ-UHFFFAOYSA-N 317.481 2.241 0 50 DEAA CC(C)Cn1cncc1Cn1cnc2cccc(F)c2c1=O 584896127 GMUZGOUSHSICSA-UHFFFAOYSA-N 300.337 2.436 0 50 DEAA CCc1ccc(Cn2ncnc2CN2CCN(CC)CC2)cc1 670463853 LEBPWTVNAUABFK-UHFFFAOYSA-N 313.449 2.026 0 50 DEAA Fc1cc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)cc(F)c1F 1076087621 RMDIKCMDGPHKHE-KGLIPLIRSA-N 324.306 2.041 0 50 DEAA CCc1ocnc1C(=O)Nc1cc2c(cc1C(C)=O)OCCO2 952868430 OLFLBJWUIMIZDY-UHFFFAOYSA-N 316.313 2.463 0 50 DEAA O=C(C[C@@H]1CCCC[C@H]1O)N1C[C@H](O)C[C@H]1c1ccccc1 408472472 VKCMPMONQZIIMI-VVLHAWIVSA-N 303.402 2.262 0 50 DEAA Cc1ccc(-n2nc(NC(=O)[C@H]3CCCC(=O)N3)cc2C)cc1 271973616 NHCWVVIAGIPADY-CQSZACIVSA-N 312.373 2.096 0 50 DEAA COc1cc(F)cc(-c2noc(N3CCNC[C@@](C)(F)C3)n2)c1 630516353 DNJBKFKSRMITAJ-OAHLLOKOSA-N 324.331 2.022 0 50 DEAA CNC(=O)c1ccc(NC(=O)CC(C)(C)C(=O)O)cc1Cl 169987579 FTLHMYDDTABBQR-UHFFFAOYSA-N 312.753 2.139 0 50 DEAA Cc1nn(C(F)F)c(C)c1CC(=O)N[C@](C)(CN)CC(C)C 170677079 XCYVLHMFIPDAMO-HNNXBMFYSA-N 316.396 2.317 0 50 DEAA CCOc1cccc(C(=O)N(C)[C@H]2CCCCN(C)C2=O)c1 634143997 SJCVQGAUNFREBP-HNNXBMFYSA-N 304.390 2.168 0 50 DEAA Cc1cc(Br)ccc1CNC(=O)[C@H]1C[C@H](F)CN1 188540554 DQAXIISAZTZLTH-NWDGAFQWSA-N 315.186 2.074 0 50 DEAA CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 582531448 NSDBPDBMVRNBAS-CTASWTNQSA-N 315.417 2.141 0 50 DEAA CS(=O)(=O)NCCCNc1c(F)cccc1C(F)(F)F 585092943 VMYPKPQKWOLNDW-UHFFFAOYSA-N 314.304 2.196 0 50 DEAA CCc1ccc2occ(C(=O)N3CCC[C@H]3c3nn[nH]n3)c2c1 585086050 BWESZJBFGYILBB-ZDUSSCGKSA-N 311.345 2.486 0 50 DEAA C[C@@H](Cc1ccccn1)NC(=O)NC[C@@H](c1ccco1)N(C)C 654350128 ZNPFABYUYDFLLW-ZFWWWQNUSA-N 316.405 2.208 0 50 DEAA CCN(C[C@H]1COc2ccccc2O1)c1cc(C)nc(N)n1 774515201 AKJVNYHFDXSZND-LBPRGKRZSA-N 300.362 2.034 0 50 DEAA CCCCc1nc(CN2C[C@H](OC)C[C@@H]2c2nnc(C)o2)no1 779896431 OACKCLLOWPJNOP-VXGBXAGGSA-N 321.381 2.066 0 50 DEAA CC(C)(NC(=O)c1ccc2cccnc2n1)[C@@H](O)C(F)(F)F 1615548202 MCVJZXTZXHLUFF-GFCCVEGCSA-N 313.279 2.061 0 50 DEAA Cn1ncc(C2CC2)c1CNC(=O)[C@H]1CNCC12CCCCC2 1615552766 GMEQQKJXSMOSIH-OAHLLOKOSA-N 316.449 2.084 0 50 DEAA C[C@@H]1CC[C@H](NC(=O)N[C@H]2C[C@@H]2CC(C)(C)C)CS1(=O)=O 1615556217 DQPZSIXSFUARNK-NDBYEHHHSA-N 316.467 2.076 0 50 DEAA Cn1nc(-c2ccccc2)cc1C(=O)Nc1cnn2c1NCCC2 1506431682 VJDOQMGAUZSEBK-UHFFFAOYSA-N 322.372 2.352 0 50 DEAA Cc1ccc(C(=O)N2CCCN([C@@H]3CCSC3)CC2)c(C)n1 1775983971 WYYOKIAPITXIFH-OAHLLOKOSA-N 319.474 2.352 0 50 DEAA COc1cc(CNc2ncn[nH]2)cc(Br)c1OC 16994677 ZIGZSILZPWHIGN-UHFFFAOYSA-N 313.155 2.197 0 50 DEAA COc1ccc(CN2CCN(CC3CC3)CC2)c(OC)c1OC 19759942 PSJNVITZQGVVEG-UHFFFAOYSA-N 320.433 2.240 0 50 DEAA Cc1noc(C[C@@H]2CCCN(C(=O)NCC=CC3CC3)C2)n1 1857531993 YGILQQHCOONJJP-AWEZNQCLSA-N 304.394 2.308 0 50 DEAA Cc1nccc(-c2ccccc2)c1C(=O)N1CC2(CN(C)C2)C1 1857673303 RVCQJGBIYMZDOZ-UHFFFAOYSA-N 307.397 2.445 0 50 DEAA CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(C)(C)C(F)F)CC2 253421582 YLQJNKSRPMLFPA-QWRGUYRKSA-N 305.365 2.056 0 50 DEAA C[C@H]1CCC[C@H](C)C1NC(=O)Cc1csc(-c2nc[nH]n2)n1 736111829 PFDMKXBRXDVGTL-UWVGGRQHSA-N 319.434 2.412 0 50 DEAA NC[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCC2)CCCO1 643605623 MYURXFAHKAMKKN-HNNXBMFYSA-N 322.836 2.338 0 50 DEAA C[C@H]1CN(C(=O)NCCc2noc3ccccc23)C[C@]1(C)CO 665434535 GHGLJMOKXIMMEB-YVEFUNNKSA-N 317.389 2.030 0 50 DEAA COc1nc(C)cc(N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n1 680623944 PKXPQKFPZKIICD-BXUZGUMPSA-N 321.327 2.384 0 50 DEAA CC1(C)CN(C(=O)NCCc2cnccn2)[C@H]1c1ccncc1 366341808 DAJKWBRHKCUBBV-HNNXBMFYSA-N 311.389 2.207 0 50 DEAA O=C(N1CCC[C@@](CO)(c2ccccc2)C1)C1(O)CCCCC1 367273544 DTRRLPUJHIIQQO-GOSISDBHSA-N 317.429 2.234 0 50 DEAA CC(=O)N1CCO[C@H](c2nc(CCCc3ccccc3)no2)C1 901928301 KRPHGTTUMGJALX-HNNXBMFYSA-N 315.373 2.165 0 50 DEAA CCc1cc(Cl)cnc1NC(=O)c1cnc(N(C)C)cn1 906080205 NJDCAQDSEBNCJT-UHFFFAOYSA-N 305.769 2.406 0 50 DEAA C[C@@H]1NCC[C@@H]1c1nc(-c2ccc(N3CCOC3=O)cc2)no1 822750295 KAVLPBKNKJTIBD-GWCFXTLKSA-N 314.345 2.159 0 50 DEAA CC(C)O[C@@H]1CCN(C(=O)C[C@@H]2C(=O)Nc3c(F)cccc32)C1 823417461 OPIHRYKLLSQSHF-YPMHNXCESA-N 320.364 2.277 0 50 DEAA CCc1nn(C)cc1NC(=O)N[C@](C)(COC)C(F)(F)F 932330150 MOKIYFZYJVUYNU-LLVKDONJSA-N 308.304 2.071 0 50 DEAA O=S(=O)(c1ccc2scnc2c1)N1CC[C@]2(CCOC2)C1 952964091 OVNIIDWKNOVVPB-AWEZNQCLSA-N 324.427 2.097 0 50 DEAA O=S(=O)(NCc1cncc(F)c1)c1cnn(C2CCCC2)c1 952994163 MZPCDCYQZFCLLO-UHFFFAOYSA-N 324.381 2.011 0 50 DEAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3(C(F)(F)F)CC3)n[nH]c21 1875395071 JLLJLLSDQPPHLI-RQJHMYQMSA-N 303.284 2.257 0 50 DEAA Cc1cc2cc(OC[C@H]3C[N@@]3Cc3cnn(C)c3)ccc2n1C 1875379129 NNKODYNOEBLUGK-OPAMFIHVSA-N 310.401 2.483 0 50 DEAA COC(=O)/C=C/CNC(=O)C[C@H]1CCCc2cc(OC)ccc21 1875324122 IMLMVNFHIZQYQM-BTKRWWFXSA-N 317.385 2.351 0 50 DEAA CN(C)c1ncc(-c2cnc(N(C)C)c(CO)c2)cc1Cl 1875307539 PUGQJVHUWFHUQE-UHFFFAOYSA-N 306.797 2.421 0 50 DEAA Cc1nnc([C@H]2CCCN(C(=O)c3n[nH]c(C)c3C)[C@H]2C)o1 886097017 JAIKDIJVOADEHY-JQWIXIFHSA-N 303.366 2.126 0 50 DEAA Cc1noc([C@H]2CCCN(Cc3cn(C)nc3C3CC3)C2)n1 891699473 CKPOJDVVLAZSPA-ZDUSSCGKSA-N 301.394 2.369 0 50 DEAA O=C(CCOc1ccc(F)cc1)Nc1c[nH]nc1[C@H]1CCNC1 1775961098 PKCVDFWQTDERRG-NSHDSACASA-N 318.352 2.033 0 50 DEAA CC(C)[C@@H](C(=O)Nc1nnc(C(C)(C)C)s1)n1cnnc1 1775989824 SMISRNKDNQQWEL-VIFPVBQESA-N 308.411 2.263 0 50 DEAA O=C(Cc1ccccc1F)Nc1ccc([C@@H]2CCCN2)nn1 1775959651 MZEMKEAYOZWHNZ-ZDUSSCGKSA-N 300.337 2.221 0 50 DEAA CN(C)C(=O)NCc1cn(-c2cccc(Cl)c2Cl)nn1 899733296 RMTIDSLTGOJHDK-UHFFFAOYSA-N 314.176 2.345 0 50 DEAA COC[C@@]1(O)CCOC[C@@H]1NC/C=C/c1cc(C)c(C)cc1C 2325774220 RCWHWGUHRYEYOY-WLMAVBAVSA-N 319.445 2.381 0 50 DEAA Cc1cc(C)n(-c2ccc(Cc3nc(CC4CNC4)no3)cc2)n1 2325823967 KAQRKILDJQDUEQ-UHFFFAOYSA-N 323.400 2.225 0 50 DEAA COC[C@@H]1CCOCCN1c1nc(O)c2ccc(Cl)cc2n1 2325888036 QTJXFKJIROJJNA-NSHDSACASA-N 323.780 2.231 0 50 DEAA Cn1ncc(C(=O)N[C@H](c2ncccn2)C2CC2)c1C(F)F 906234345 SGAHMBNPZRALNI-JTQLQIEISA-N 307.304 2.029 0 50 DEAA NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 38378 WQFWXJAIEJJFJR-UHFFFAOYSA-N 309.119 2.393 0 50 DEAA CC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2 130301 RCLKTYSMMACBOZ-UHFFFAOYSA-N 322.430 2.448 0 50 DEAA CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ncc(C)[nH]1 137091182 ZITCKOKEGODNCZ-HNNXBMFYSA-N 312.373 2.193 0 50 DEAA C[C@@H]1CCCCN1C(=O)c1cc2c(=O)n3ccccc3nc2n1C 2916950 XBTJJSLKIRECHZ-GFCCVEGCSA-N 324.384 2.201 0 50 DEAA O=C(NC[C@H]1CCCO1)[C@@H]1CC(c2ccccc2Cl)=NO1 4827276 SNWGGBACDLMBJF-YGRLFVJLSA-N 308.765 2.128 0 50 DEAA COc1cc(CN2CCN(C(C)C)[C@H](CCO)C2)ccc1F 104386229 QIHKBWFGBRJWMH-OAHLLOKOSA-N 310.413 2.111 0 50 DEAA CCn1cc([C@@H]2OCCC[C@H]2C(=O)NCc2cccn2C)cn1 413540709 JQONAQSPDVPZAA-CVEARBPZSA-N 316.405 2.026 0 50 DEAA COCCS(=O)(=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 225406843 SHWPEVZAWJAAMP-AJNGGQMLSA-N 301.452 2.253 0 50 DEAA COC(=O)c1cccc(Cn2nc(C(C)(C)C)ccc2=O)c1 171166932 DUWVKWZHCLQEAC-UHFFFAOYSA-N 300.358 2.376 0 50 DEAA CC(C)C[C@]1(CO)CCCN(C(=O)CCN2CCCCO2)C1 55359124 SYKZVACVKFOHEA-QGZVFWFLSA-N 312.454 2.051 0 50 DEAA COc1ccc(N2C(=O)C[C@@H](SC3=NCCS3)C2=O)cc1 105526168 FFFVQQOREJEQBL-LLVKDONJSA-N 322.411 2.163 0 50 DEAA Cc1cccc(CS(=O)(=O)NCc2ccc3c(c2)OCO3)c1 23114617 SMRAETXUWRIWRS-UHFFFAOYSA-N 319.382 2.343 0 50 DEAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)COc1cccc(F)c1 248085678 BGIONMRZXLGCBQ-HZPDHXFCSA-N 306.381 2.290 0 50 DEAA CC(C)(C)OC(=O)N1CCc2ncc(Br)n2CC1 307376252 VPOJINOXLDKIJR-UHFFFAOYSA-N 316.199 2.439 0 50 DEAA in-vitro O=C(c1ccc(F)cc1O)N1CC[C@@H](Oc2cccnc2)C1 124148510 ZPUJPMZISQGPBY-CYBMUJFWSA-N 302.305 2.220 0 50 DEAA CCc1nn(C)c(CC)c1CN1C[C@@H](CC)O[C@@]2(CCOC2)C1 253427593 CUTCLKBSVPAFHR-KDOFPFPSSA-N 321.465 2.315 0 50 DEAA CC(C)(C)[C@H]1CCN(c2ncc(Br)cn2)C[C@H]1O 253419299 GYUSMYYTONRGNB-WDEREUQCSA-N 314.227 2.472 0 50 DEAA C[C@@H](C(=O)N1CCC2(CCC(=O)NC2)CC1)c1ccc(O)cc1 216115318 UEVBIWGUENVUGB-CYBMUJFWSA-N 316.401 2.015 0 50 DEAA CCCOc1ccc(/C=C/C(=O)N2CCN[C@H](C)C2)cc1OC 155163689 ZKNMUXLXOCLFID-IZPAUZPXSA-N 318.417 2.318 0 50 DEAA O=C(c1c[nH]c(=O)cn1)N1CCCC[C@@H]1c1ccc(F)cc1 77287664 KXZGIUGOWMUITA-CQSZACIVSA-N 301.321 2.276 0 50 DEAA CCc1nc([C@H]2CCCN(C(=O)c3oc(C)nc3C)C2)no1 369679964 YSANZRVQJPPNGB-NSHDSACASA-N 304.350 2.257 0 50 DEAA CC(C)n1ncc2c1C[C@@H](NC(=O)CC[C@@H]1CCCO1)CC2 332873158 NBDWYCSIMMKZKW-GJZGRUSLSA-N 305.422 2.397 0 50 DEAA C[C@@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)[C@H]1CCCOC1 332903203 MMZZXNCUIPUECK-RISCZKNCSA-N 300.362 2.017 0 50 DEAA CNC[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3C)c2)C1 237085139 CJXUVEWVHWYOFA-OAHLLOKOSA-N 312.417 2.252 0 50 DEAA CC(C)Cc1noc(-c2ccc(N3CCC[C@H](O)C3)nc2)n1 72429242 WERVPSQMEVATIX-ZDUSSCGKSA-N 302.378 2.291 0 50 DEAA Cc1[nH]c2c(c1C(=O)N(C)C[C@@H]1CCCCO1)C(=O)CCC2 218840994 UBLYBHHVRMGMRZ-LBPRGKRZSA-N 304.390 2.483 0 50 DEAA CCn1cc(C2CCN(C(=O)N[C@H]3CCOC3(C)C)CC2)cn1 334066040 DDZQSXSCQVPFHI-HNNXBMFYSA-N 320.437 2.360 0 50 DEAA C[C@H](NC(=O)[C@H]1OCC[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 241587804 OXGYFCKJIOXWCT-FZCLSBEQSA-N 316.445 2.438 0 50 DEAA O=S(=O)(c1cccs1)N1CC[C@@H](OCc2ccncc2)C1 241644387 PQIKWJHXRCVITP-CYBMUJFWSA-N 324.427 2.123 0 50 DEAA Cc1cccnc1NC(=O)[C@H]1CCCN(CC2=CCCOC2)C1 378335733 SKVQNTBTEVMUTD-INIZCTEOSA-N 315.417 2.387 0 50 DEAA Cc1nc(O)ccc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 282411111 FAUIULWOXJWVLQ-DZGCQCFKSA-N 316.332 2.183 0 50 DEAA CN(C)c1ncc(CN2CCCC[C@H]2CCN2CCCC2)cn1 77420811 ARFFIAMQQSXBJF-KRWDZBQOSA-N 317.481 2.383 0 50 DEAA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccc[nH]1 223506565 INDAPTHUNRRGNK-CVEARBPZSA-N 300.358 2.119 0 50 DEAA CN1C[C@@H](NC(=O)c2ccc(Oc3ccccc3)o2)CC1=O 20454123 QWQHWUDKTXWJBA-NSHDSACASA-N 300.314 2.032 0 50 DEAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NCc1ccncc1)[C@@H]2C(=O)O 225806668 KEUYELIHZTYLBG-RRCSTGOVSA-N 314.385 2.391 0 50 DEAA CCn1ncnc1[C@H](C)NC(=O)c1c(C)nc2ccc(C)cn12 426399179 HUDGHRQWTYZPOV-LBPRGKRZSA-N 312.377 2.054 0 50 DEAA CCOC(=O)[C@H]1C(=O)N[C@@]23CCCC[C@H]2[C@H]1c1ccccc1O3 229996911 YSDMTIZGQWZMNO-KDQZPGIASA-N 315.369 2.358 0 50 DEAA Cc1ccc2nc(O)cc(C(=O)N[C@H]3CCc4c[nH]nc4C3)c2c1 426478165 UEEFPEJZWDEDKO-LBPRGKRZSA-N 322.368 2.259 0 50 DEAA Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)s1 94103049 DSLSOKUKTORJSU-ZDUSSCGKSA-N 316.430 2.493 0 50 DEAA O=C(NCC[C@@H]1CCNC1)c1cnn(-c2ccccc2)c1C1CC1 178954030 OTVOAVABCAXOHH-AWEZNQCLSA-N 324.428 2.479 0 50 DEAA CN(C)[C@@H]1C[C@@H](CO)N(Cc2c(Cl)ccc(O)c2Cl)C1 97602381 NPMLCJZNUULCRP-ZJUUUORDSA-N 319.232 2.196 0 50 DEAA CC(C)S(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95355843 DQZKDDJVLPMWMZ-CQSZACIVSA-N 311.403 2.302 0 50 DEAA CCCc1noc(CN(C)C(=O)[C@H]2COc3ccccc3C2)n1 95512808 PLOQRTGJFKSNRP-CYBMUJFWSA-N 315.373 2.232 0 50 DEAA O=C(Cn1cnc2ccccc2c1=O)N1CCC[C@@H]1c1ccco1 91893660 WWYLBYVNXYRYAM-OAHLLOKOSA-N 323.352 2.353 0 50 DEAA Cc1ccc2c(CCNC(=O)[C@@H]3C[C@H](C)CC(=O)N3)c[nH]c2c1 293407507 MDAPBULTCJVWJT-LRDDRELGSA-N 313.401 2.050 0 50 DEAA Cn1cc(C(=O)NCCN2CCC(c3ccccc3)CC2)cn1 97413184 ARLAWSPKDHOFSL-UHFFFAOYSA-N 312.417 2.030 0 50 DEAA COC[C@H](C)NC(=O)Nc1cc(Cl)ccc1-n1cncn1 96140034 SSPSMQNHBVENMK-VIFPVBQESA-N 309.757 2.077 0 50 DEAA CCN1C[C@@H](C(=O)NCCSc2ccc(C)cc2)CCC1=O 91745949 QMCTVWIPAZHISV-AWEZNQCLSA-N 320.458 2.462 0 50 DEAA CN(C)C(=O)CC[C@H]1CCCN(C(=O)c2sccc2N)C1 91872619 SSEVTLZJEKKLFY-LLVKDONJSA-N 309.435 2.051 0 50 DEAA NS(=O)(=O)CCCNC1(c2ccc(F)cc2F)CCCC1 181248780 XXXATOQHXCUUPY-UHFFFAOYSA-N 318.389 2.002 0 50 DEAA C[C@@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCCO1 244874943 XJXRXDRSNKWOAK-LLVKDONJSA-N 313.781 2.414 0 50 DEAA CC(C)(C)N1C[C@H](C(=O)N2CCC3(CCOCC3)CC2)CC1=O 342683680 XWGXZVBCAZZUKC-CQSZACIVSA-N 322.449 2.053 0 50 DEAA COc1cc(C(=O)N[C@H](C)c2nc(C)no2)c2ccccc2n1 534585893 KPHSWMZDQXSLRY-SECBINFHSA-N 312.329 2.426 0 50 DEAA CCCn1ncnc1[C@H](C)NC(=O)CSc1ccncc1 299773675 DVDPYZRTEWIZQI-NSHDSACASA-N 305.407 2.053 0 50 DEAA CC(C)c1ccc(NC(=O)NCCc2cnc(O)nc2O)cc1 299771348 ZBBURFSYOQVKGA-UHFFFAOYSA-N 316.361 2.375 0 50 DEAA CNC(=O)CCC(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 823819843 JQAPFMIHLZREHY-OAHLLOKOSA-N 320.389 2.099 0 50 DEAA COc1ccc(Cc2nc(C[C@H]3C=CCC3)n(CCO)n2)cc1 670461599 YZYDCISRQBIWPI-AWEZNQCLSA-N 313.401 2.379 0 50 DEAA Cc1nc(CNC(=O)c2cnc(-c3ccccn3)nc2)cs1 670468305 ZLTABHJECVIGPP-UHFFFAOYSA-N 311.370 2.234 0 50 DEAA Cn1cncc1CN[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 131394393 FDKAHFNGTAJBPM-OLZOCXBDSA-N 308.426 2.346 0 50 DEAA Cc1nccn1-c1ccc(CNC(=O)CCc2cn[nH]c2)cc1 952986740 FJKDMWYRIGIWBM-UHFFFAOYSA-N 309.373 2.153 0 50 DEAA CCNC(=O)c1cc(NC(=O)c2cc(C)n(C)n2)ccc1Cl 952975964 URBMRHBBJTUUAG-UHFFFAOYSA-N 320.780 2.384 0 50 DEAA Oc1nc2ccccc2cc1CNC[C@@H]1CCc2nccn2C1 275574628 OPBMSFWPSLHFSW-ZDUSSCGKSA-N 308.385 2.489 0 50 DEAA CC(=O)N(C[C@@H]1CCCN1C[C@H](O)c1ccc(F)cc1)C1CC1 276339556 HBVVFFODJDKDDQ-ROUUACIJSA-N 320.408 2.334 0 50 DEAA CC(C)(C(=O)NCC1(c2ccc(F)cc2)CC1)N1CCOCC1 170617914 DTGMOZBASZIPRS-UHFFFAOYSA-N 320.408 2.084 0 50 DEAA O=C(C[C@@H]1CCCCO1)NCCc1nc(-c2ccccc2)n[nH]1 170603748 OJXXNJJTSJFIJP-AWEZNQCLSA-N 314.389 2.090 0 50 DEAA Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2c[nH]nn2)C1 171012207 ZQAOFJGWWYEMSS-NSHDSACASA-N 319.796 2.023 0 50 DEAA Cc1onc(-c2cccnc2)c1C(=O)N(C)CCCCN(C)C 671732482 MRCLRZYZSWYLPF-UHFFFAOYSA-N 316.405 2.459 0 50 DEAA Cc1ncc(CC(=O)N2CCO[C@](C)(c3ccccc3)C2)o1 639942592 USCZZSNAKJQWOP-KRWDZBQOSA-N 300.358 2.300 0 50 DEAA COC[C@H](C)n1ccc(NC(=O)N[C@H](C)c2cccnc2)n1 189929818 NYOSWEYAJMYWLG-NWDGAFQWSA-N 303.366 2.368 0 50 DEAA O=C1c2ccccc2CCN1CCN[C@H]1CCCc2n[nH]cc21 585081783 AQRDOPAFNOCOSK-INIZCTEOSA-N 310.401 2.075 0 50 DEAA Cc1c(CNC(=O)N[C@H]2C(=O)NCC[C@@H]2C)oc2ccccc12 193875604 VSIJSWXWNRNQPC-ZUZCIYMTSA-N 315.373 2.065 0 50 DEAA Cc1noc2ncnc(Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c12 195506691 MRSQYGBIONPNNV-MRVPVSSYSA-N 311.301 2.389 0 50 DEAA CCc1nc(C)c(CNC(=O)c2cn([C@@H](C)COC)nc2C)o1 1615060177 GPTPQVPBGLDCSG-JTQLQIEISA-N 320.393 2.188 0 50 DEAA CCn1ccnc1CN(C)CC(=O)N[C@@H](C)c1ccccc1 1506422643 AMHPYSNBWKPTJZ-AWEZNQCLSA-N 300.406 2.212 0 50 DEAA CCN(CCc1nc2ccccc2[nH]1)c1nc(C(=O)O)co1 1529187544 UZHCETQCHXLTJR-UHFFFAOYSA-N 300.318 2.318 0 50 DEAA Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)N1CCOCC1 163904017 QSZQXBQRSJPPGD-UHFFFAOYSA-N 324.324 2.003 0 50 DEAA O=C1S/C(=C/c2ccccc2F)C(=O)N1CN1CCOCC1 19201907 YHIBTCHWQYBBNF-UKTHLTGXSA-N 322.361 2.152 0 50 DEAA CN(Cc1nccn1C)[C@H]1CCCN(C2Cc3ccccc3C2)C1 19952522 YOCGGXLGQOIZPZ-SFHVURJKSA-N 324.472 2.484 0 50 DEAA CC[C@H](C)[C@@H](NC(=O)Cn1ccc2c(OC)cccc21)C(=O)O 206412856 OROURRBWEMFANE-MEDUHNTESA-N 318.373 2.265 0 50 DEAA COc1ccc(-n2c[n+]3c(n2)CO[C@@H]2Cc4ccccc4[C@@H]23)cc1 205349800 WPYMGYRSPBYLMI-MJGOQNOKSA-N 320.372 2.213 0 50 DEAA CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)O 2382577 NLPQIWFEEKQBBN-NSHDSACASA-N 315.366 2.230 0 50 DEAA in-vitro COCCOc1cccc(C(=O)N2CCC[C@H](CCO)CC2)c1 422057457 OECZZOMNGUFLAD-HNNXBMFYSA-N 321.417 2.337 0 50 DEAA Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 118187128 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317.414 2.176 0 50 DEAA COC1(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)CCCC1 902016174 KVMWRNXTVFUPRG-ZIAGYGMSSA-N 303.358 2.375 0 50 DEAA O=C(COc1cc(F)ccc1CO)N1CCc2ccccc2C1 902782354 AWKBFLIYFIGGQN-UHFFFAOYSA-N 315.344 2.282 0 50 DEAA CC(C)Cc1ccc(-c2noc([C@@H]3COCCO3)n2)c(O)n1 904233612 URJZRCHNKAMMJD-LBPRGKRZSA-N 305.334 2.124 0 50 DEAA Cc1cncc(CCC(=O)N2CCc3occc3[C@@H]2C(=O)O)c1 910203486 YKHQGCTXTCWJDZ-MRXNPFEDSA-N 314.341 2.126 0 50 DEAA C[C@@H](C(N)=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 932550639 BZQXWOGMQYDSGX-NSHDSACASA-N 316.430 2.258 0 50 DEAA Cn1nc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)cc1C(F)F 935919969 LHGBVFCAZFWKTP-LLVKDONJSA-N 309.320 2.448 0 50 DEAA Cc1ccncc1NC(=O)Cn1cnc(-c2ccccc2)cc1=O 1144530295 SWLIIKOGULQZFL-UHFFFAOYSA-N 320.352 2.252 0 50 DEAA S=C(NCCc1ccc2c[nH]nc2c1)NCc1ccco1 1875253973 JDGPJQIVGXNEKG-UHFFFAOYSA-N 300.387 2.363 0 50 DEAA C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cnn2c1NCC2 1875277266 OMSQVENVSZWYMZ-UKRRQHHQSA-N 310.401 2.402 0 50 DEAA 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CC(C)n1cc(C(=O)N2CCN(Cc3cccs3)CC2)cn1 77339043 OJHRTSMIKNGJGT-UHFFFAOYSA-N 318.446 2.484 0 50 DEAA O=C(NCc1nccc(C(F)F)n1)c1snc(O)c1Cl 492512760 KTJCNVQXIJUFFR-UHFFFAOYSA-N 320.708 2.160 0 50 DEAA O=C(O)CCN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 238162089 IXTJDUFOGGRZBY-LBPRGKRZSA-N 323.368 2.134 0 50 DEAA Cc1ccc(CN2CCN(C(=O)c3cc(C)c[nH]3)CC2=O)cc1 77343104 DXVUESOFOSNHFF-UHFFFAOYSA-N 311.385 2.116 0 50 DEAA Cc1c(C(=O)NCC2(CF)CCOCC2)[nH]c2c1C(=O)CCC2 452794600 NFZJTOACYHILRH-UHFFFAOYSA-N 322.380 2.338 0 50 DEAA C[C@H]1C[C@@H](C(=O)O)CN(c2cc(N3CCCCC3)ncn2)C1 263078315 BCGVHGZOKFRTHF-QWHCGFSZSA-N 304.394 2.014 0 50 DEAA O=C(NCCS(=O)(=O)c1ccc2c(c1)CCC2)C1CCCC1 128460627 VAYCBVORMRFQLD-UHFFFAOYSA-N 321.442 2.255 0 50 DEAA CN(C)Cc1ccccc1CNC(=O)[C@H](O)C1CCCCC1 189617200 ZKMJKNAXLCEHTM-QGZVFWFLSA-N 304.434 2.306 0 50 DEAA CCC[C@H](CC(=O)O)NC(=O)COc1ccc(F)cc1F 135712210 DKICJAGQJSEWNS-SNVBAGLBSA-N 301.289 2.103 0 50 DEAA COc1cccc(CC(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)c1 379293548 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COCc1ccc(SCc2noc(N3CCOCC3)n2)cc1 1615587695 JMDCSPQOPCPZTB-UHFFFAOYSA-N 321.402 2.345 0 50 DEAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(F)cc3C)C[C@@H]2O)on1 1704349990 JLFJVMZDXBAWRC-WBMJQRKESA-N 318.348 2.106 0 50 DEAA CCCS(=O)(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 11819985 FXBJAZGUSVXMEQ-UHFFFAOYSA-N 323.393 2.314 0 50 DEAA CN(C[C@H]1CCCN1C)C(=O)c1cn(C2CCCCCC2)nn1 12372741 LCRYPDSELBBSKW-OAHLLOKOSA-N 319.453 2.340 0 50 DEAA S=c1oc(COc2ccccc2)nn1CN1CCOCC1 19596661 ROGAQDLUPZJDHV-UHFFFAOYSA-N 307.375 2.074 0 50 DEAA Cc1ccc2ncnc(N3CCC[C@@H](Cn4ccnc4)C3)c2n1 1857679566 NCKBHZFQTRTGTI-AWEZNQCLSA-N 308.389 2.446 0 50 DEAA CCCC[C@@H]1CN(c2nc(=N)nc3[nH][nH]cc2-3)C[C@H](C(C)C)O1 1857719003 ARWUMTFDQFTMLE-DGCLKSJQSA-N 318.425 2.137 0 50 DEAA O=C1CCC[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2O)N1 408523483 RZXRTIJRFRZFCW-MRVPVSSYSA-N 303.145 2.306 0 50 DEAA CCCN(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 225423380 WHALSUTVDKCBQW-XQLPTFJDSA-N 313.463 2.238 0 50 DEAA CC[C@H](C(=O)Nc1ccc(C)cc1)n1c(N)nnc1SC 12001022 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0 50 DEAA CCOC(=O)C(=CNc1ccc(Cl)cc1N)C(=O)OCC 40456591 ONHHJGPYSIGPRH-UHFFFAOYSA-N 312.753 2.344 0 50 DEAA in-vitro CC1=NN(C(=O)c2cccc(C)c2O)[C@](O)(C(F)(F)F)C1 63992 CPGZLLNSCZELAE-GFCCVEGCSA-N 302.252 2.173 0 50 DEAA Cc1cccc(-c2ccc(N3C[C@@H](CO)CC3=O)cc2)c1CO 2325773359 OXLRADYUTVRLSE-AWEZNQCLSA-N 311.381 2.500 0 50 DEAA O=C1CCc2cc(CC(=O)OC[C@H]3C[C@@]34CCOC4)ccc2N1 2325779457 GHVRKJVEYPFJNV-RDTXWAMCSA-N 315.369 2.084 0 50 DEAA Cc1ccc(CN2CC[C@@H]3CCOC[C@@H]3C2)cc1-c1nn[nH]n1 2325811606 DUJWRQOEVJCZAV-CABCVRRESA-N 313.405 2.034 0 50 DEAA O=C(c1n[nH]c2c1CCC2)N1CCOC[C@H]1c1ccccc1F 2325813083 JWVGSBMWPUPHGL-HNNXBMFYSA-N 315.348 2.251 0 50 DEAA COc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1 196377 CQIOWBRQZQDRJI-UHFFFAOYSA-N 315.325 2.119 0 50 DEAA NC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCCCC2 375902 MOKUNJNYIKOAOF-SNVBAGLBSA-N 308.403 2.233 0 50 DEAA CS(=O)(=O)c1ccc(COc2ccc(CCN)cc2)cc1 2356170181 YTMZORMYMGTNSA-UHFFFAOYSA-N 305.399 2.170 0 50 DEAA Cn1c(=O)n(Cc2ccco2)c(=N)c2c3c(sc21)CCCC3 3863987 REUSWBSUQMRNBR-UHFFFAOYSA-N 315.398 2.401 0 50 DEAA CCOc1ccc(NC(=O)C(=O)Nn2c(C)ccc2C)cc1 4840192 ODAAWZCFZCVXQR-UHFFFAOYSA-N 301.346 2.212 0 50 DEAA Cc1ccc(C2(C(=O)NCc3nc(C)no3)CCOCC2)cc1 110655027 XZEYBUFGHBTCDB-UHFFFAOYSA-N 315.373 2.051 0 50 DEAA CC[C@H](C(=O)Nc1ccccn1)n1cnc2ccccc2c1=O 9422230 IQHAIWLMWLQLKV-CQSZACIVSA-N 308.341 2.381 0 50 DEAA CO[C@@H]1CN(C(=O)CSC[C@H]2CCCCO2)CC[C@@H]1C 249109284 AIPKOMBJRWPCLA-BFHYXJOUSA-N 301.452 2.172 0 50 DEAA COc1ccccc1OC1CN(C(=O)[C@@H](C)n2ccnc2C)C1 67588163 XJLHOPOMSZHACR-GFCCVEGCSA-N 315.373 2.051 0 50 DEAA CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1ccccc1 68317 FMBPKHVACPZMOG-CQSZACIVSA-N 302.330 2.137 0 50 DEAA Cc1cccc(NC(=S)NNS(=O)(=O)c2ccccc2)c1 5798974 SQBAYRDDHDQFMV-UHFFFAOYSA-N 321.427 2.175 0 50 DEAA O=C(Nc1ccc2[nH]ccc2c1)C1(n2cnnn2)CCCCC1 36358759 LKZOTIFYWFOCHH-UHFFFAOYSA-N 310.361 2.453 0 50 DEAA O=C(O)CN(C(=O)/C=C/c1ccccc1Cl)C1CCOCC1 328595213 OFUDDZVKLJBQLP-AATRIKPKSA-N 323.776 2.445 0 50 DEAA Cc1ccc(NC(=O)CCNC(=O)c2cccc3ccnn23)cc1 72151656 FSMOSWSMAWZINK-UHFFFAOYSA-N 322.368 2.401 0 50 DEAA C=CC(=O)NCCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 156622263 LHHMBPJPCQPCCQ-ZDUSSCGKSA-N 300.402 2.435 0 50 DEAA CC(C)(C)n1nc(C(=O)N2CC[C@H](C(=O)O)C2)cc1C1CC1 236770690 XZIAXXHXCHWQFA-NSHDSACASA-N 305.378 2.062 0 50 DEAA Cc1noc(C)c1C(C)(C)C(=O)N1CCC[C@H](n2ccnn2)C1 333238072 DIXUHSWRWKMVLV-ZDUSSCGKSA-N 317.393 2.024 0 50 DEAA C[C@]1(C(=O)O)CCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 237643214 VGNLOJYMFIZHAO-SJCJKPOMSA-N 303.358 2.266 0 50 DEAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ccnc(N)c1 77459083 VFTVBSGNIMWBCT-UHFFFAOYSA-N 307.357 2.122 0 50 DEAA Cc1nc(CNC(=O)c2cc3c(Cl)cccc3n2C)n[nH]1 426434127 PDXBDGMRKCUHBV-UHFFFAOYSA-N 303.753 2.188 0 50 DEAA Cc1cccc(OC[C@H]2CCCN(C(=O)NCCN(C)C)C2)c1 426716106 OXQOXPLBTQJXOY-INIZCTEOSA-N 319.449 2.357 0 50 DEAA CN(C)CC(C)(C)CNC(=O)c1ccc(-c2cnc[nH]2)cc1 426640366 GXRPVCVNMRIRJB-UHFFFAOYSA-N 300.406 2.394 0 50 DEAA CSCCCNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 95504135 AKAHSVSAJGENBN-UHFFFAOYSA-N 317.414 2.418 0 50 DEAA CSc1ccc([C@@H](C(=O)O)N2CCCN(C(C)=O)CC2)cc1 95355975 XFKKGXFGDCTSSP-HNNXBMFYSA-N 322.430 2.088 0 50 DEAA O=C(NC[C@@H]1COc2ccccc2C1)c1cnc(C2CC2)nc1 91818492 GYRYEWOQXHFHMF-GFCCVEGCSA-N 309.369 2.335 0 50 DEAA O=C1OCCN1CCN1CC=C(Oc2ccc(F)cc2)CC1 96028191 WEOVJTPRGCWRDL-UHFFFAOYSA-N 306.337 2.246 0 50 DEAA Cc1c(F)cccc1NC(=O)CN(C)CCCn1cccn1 240971736 UCBDFENSOKEQKO-UHFFFAOYSA-N 304.369 2.291 0 50 DEAA NC(=O)NCc1ccc(C(=O)N[C@H]2CC23CCCCC3)cc1 180793932 PFZFZQUUXWHBCJ-AWEZNQCLSA-N 301.390 2.308 0 50 DEAA O=C(O)c1ccc(CCC(=O)N2CCO[C@@H]3CCC[C@H]32)cc1 299741830 GKXMKQGXYOXMKM-HUUCEWRRSA-N 303.358 2.097 0 50 DEAA CCOc1ccc([C@@H](CC)NC(=O)N2CCN(C)CC2)cc1 534585912 BVLMJIITMLNVIG-MRXNPFEDSA-N 305.422 2.493 0 50 DEAA Cn1cnnc1CCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 534661102 GOSJDVHHWGZOKJ-ZDUSSCGKSA-N 314.389 2.166 0 50 DEAA CCOc1ccc([C@H](C)NC(=O)CN2CCCC2=O)cc1F 534584710 ZJYIISBLXFHHIN-NSHDSACASA-N 308.353 2.024 0 50 DEAA COc1ccc(Cc2nc(-c3cn(C)nc3C)n[nH]2)cc1OC 824603770 IQKRAUXMFAAGTH-UHFFFAOYSA-N 313.361 2.122 0 50 DEAA Cc1cnn([C@@H](C)C(=O)NCc2nncn2C2CCCCC2)c1 822288480 OVSADVQBYUJBIV-ZDUSSCGKSA-N 316.409 2.166 0 50 DEAA Cc1cc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)cc(C)n1 584895562 ZNSGATOJUUIZLQ-CQSZACIVSA-N 315.417 2.219 0 50 DEAA O=c1[nH]ccn2c(CSc3nc4ccccc4s3)nnc12 1458791015 UOUPBAMSXYTCBT-UHFFFAOYSA-N 315.383 2.320 0 50 DEAA C/C(=C\C(=O)NCCOC[C@H]1CCOC1)c1cccc(F)c1 221753362 KRYIFBDZGYXKDZ-SSUFTNFISA-N 307.365 2.398 0 50 DEAA O=C(NCc1ccsc1)N[C@H]1CCO[C@@H]1c1cccnc1 275271862 CTGIGTPWFWKAQH-UONOGXRCSA-N 303.387 2.473 0 50 DEAA C[C@](CNC(=O)c1ocnc1C1CC1)(C(=O)O)c1ccccc1 630168942 DTYASIMFNBVCPQ-QGZVFWFLSA-N 314.341 2.324 0 50 DEAA CCc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H](O)CN3)n2)cc1 276705931 XPRBXRSYJSSOFQ-CHWSQXEVSA-N 317.414 2.034 0 50 DEAA C[C@H](CNS(=O)(=O)c1cc(Cl)sc1Cl)N(C)C 170605252 SHYBHRTUOWXTCE-ZCFIWIBFSA-N 317.263 2.283 0 50 DEAA COc1cccc2c(C(=O)N[C@@H]3CCNC34CCC4)coc12 1614994534 AIBUFBCFHSNJJL-CQSZACIVSA-N 300.358 2.456 0 50 DEAA OC[C@@H]1CCCCN1CCNc1nnc(-c2ccccc2)s1 1506396457 AUHAPFOGHTUMJG-AWEZNQCLSA-N 318.446 2.464 0 50 DEAA CCOc1ccc(CN(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)cn1 1704299856 LQFURLFMMLYJQD-OWCLPIDISA-N 317.433 2.169 0 50 DEAA Cn1nccc1CN1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704339654 VELPCNYKWJBPIC-BEFAXECRSA-N 322.412 2.004 0 50 DEAA CN(C)S(=O)(=O)c1ccccc1NCC1CCSCC1 229301490 SDCVGUVVGQZJHI-UHFFFAOYSA-N 314.476 2.492 0 50 DEAA CN(Cc1sccc1Br)C(=O)[C@H]1CCCNC1 121805734 KATRJCKBKDYSMH-VIFPVBQESA-N 317.252 2.469 0 50 DEAA Cc1ccc(OCCN2C[C@H]3CCCN3C(=O)[C@@H]2C)c(C)c1 1772704000 AXOAYFJRASEMJW-JKSUJKDBSA-N 302.418 2.377 0 50 DEAA CN(Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCC(=O)N(C)C1 1772818919 AXMPFBBRNIMQBZ-INIZCTEOSA-N 312.417 2.173 0 50 DEAA O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccco1 11697806 SHDQCMRZLXUWKX-UHFFFAOYSA-N 324.344 2.050 0 50 DEAA CC(C)CN1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 11911108 IMPGATHBPRTQTM-UHFFFAOYSA-N 319.453 2.197 0 50 DEAA O=C(COC[C@@H]1CCCO1)N1CCc2c(Cl)cccc2C1 153331672 NHRQNNDDPGRSND-ZDUSSCGKSA-N 309.793 2.420 0 50 DEAA CC(C)c1noc(C2CCN(CC3COCCOC3)CC2)n1 1857682993 OHOMLAKMALOHGM-UHFFFAOYSA-N 309.410 2.035 0 50 DEAA O=C(NCCCn1ccnn1)c1c(Cl)ccc2ncccc12 1857690328 HATNWZJEDRTORP-UHFFFAOYSA-N 315.764 2.300 0 50 DEAA Cc1c(C(=O)NCCN2CCc3ccccc32)nc2ccccn12 1857697620 ZKDVRCUALKJPAH-UHFFFAOYSA-N 320.396 2.435 0 50 DEAA Cc1ccccc1-n1cc(CN2CCO[C@H](C(F)F)CC2)nn1 634735053 VIYVDOVPSSCECH-HNNXBMFYSA-N 322.359 2.432 0 50 DEAA CCC[C@@H](CCO)NC(=O)N[C@H]1CN(C)Cc2ccccc21 636982711 VVXKFIFCKNINOZ-HOCLYGCPSA-N 305.422 2.023 0 50 DEAA Cc1ccccc1C1(CNC(=O)[C@@H]2CCC[C@@H]2N)CCOCC1 237692593 QCCPPUOAZNBNAM-WBVHZDCISA-N 316.445 2.287 0 50 DEAA Cc1ccc(OCCC(=O)N2CCC(C(=O)O)CC2)cc1C 237700860 NGJLUKBRZRNBRZ-UHFFFAOYSA-N 305.374 2.396 0 50 DEAA Cc1ncc(C(=O)N[C@@H](CC(=O)O)c2cccs2)c(C)n1 683298386 ANJWEKOYCDISDB-NSHDSACASA-N 305.359 2.101 0 50 DEAA COc1cccc(C2CCN(CCN3CCNC3=O)CC2)c1F 377535110 BOBPICSJEOALGN-UHFFFAOYSA-N 321.396 2.039 0 50 DEAA C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1nnc(O)n1C 585137830 VQWYREFWELRLAD-SECBINFHSA-N 323.784 2.077 0 50 DEAA CC(C)n1cc(NS(=O)(=O)c2ccnn2CC2CCC2)cn1 901884247 SSQCOLSAMIGGSS-UHFFFAOYSA-N 323.422 2.261 0 50 DEAA O=C(O)Cc1ccccc1CN1CCOC[C@H]1C[C@@H]1CCCO1 903943772 FHDXFGQVXHVUKP-SJORKVTESA-N 319.401 2.084 0 50 DEAA C[C@@]1(c2ccccc2)NC(=O)N(c2cnn(CC(F)F)c2)C1=O 804244563 DNMDSXXNTNQIMF-HNNXBMFYSA-N 320.299 2.120 0 50 DEAA Cc1nc(O)c2c(n1)CN([C@H](C)c1nc(O)c3ccccc3n1)C2 931318827 VFIPBNSULVQERA-SECBINFHSA-N 323.356 2.216 0 50 DEAA O=C(Nc1cc2c(cn1)CCCC2)N[C@@H]1CCN(CC(F)F)C1 931510691 GSCZBITYZXDAGZ-CYBMUJFWSA-N 324.375 2.421 0 50 DEAA c1cc(N2CCCN(c3ncnc4scnc34)CC2)ccn1 1262372009 CCEBJCABHZYXNG-UHFFFAOYSA-N 312.402 2.198 0 50 DEAA Cn1cc(C(=O)NCCc2coc(-c3ccccc3)n2)ccc1=O 1143402044 FPUBVLJMCQUPBD-UHFFFAOYSA-N 323.352 2.013 0 50 DEAA Cc1nc(N2CCC[C@@](CO)(c3ccccc3)C2)c2c[nH]nc2n1 1875286708 BQQRBTGVIYZUHE-GOSISDBHSA-N 323.400 2.192 0 50 DEAA COC1(c2noc(-c3cc4n(n3)CCC[C@@H]4O)n2)CCCC1 1875279170 YPBKTRVABKTIEE-LBPRGKRZSA-N 304.350 2.176 0 50 DEAA N[C@@H](CNC(=O)Cc1noc2ccc(F)cc12)c1ccccc1 1875326481 FEYCEEJLPCPJOX-AWEZNQCLSA-N 313.332 2.326 0 50 DEAA CC(C)(C)c1coc(CN2CCN(c3cnccn3)CC2)n1 891640764 RSGFHLCJYOXRIR-UHFFFAOYSA-N 301.394 2.084 0 50 DEAA O=C(CCOc1cccc(F)c1)Nc1c[nH]nc1[C@@H]1CCNC1 1775961062 DDFDBOBBUZXAKW-LLVKDONJSA-N 318.352 2.033 0 50 DEAA CC(C)=C(Br)C(=O)NC(C)(C)c1cnn(C)c1 1776005749 GOWQHQIJCQDKBI-UHFFFAOYSA-N 300.200 2.460 0 50 DEAA Cn1cncc1CNCc1cc(Br)c2c(c1)OCO2 237935985 GZJSZEVKZSGGGR-UHFFFAOYSA-N 324.178 2.201 0 50 DEAA C[C@H]1NC(=O)N[C@@H]1CCCCCC(=O)NCCc1ccccc1 2876611 ZUWQXYDMMUZDNB-GDBMZVCRSA-N 317.433 2.366 0 50 DEAA CN1CCN([C@H](C(=O)Nc2cnsc2)c2ccccc2)CC1 2325761969 QUVSHWJUBJNILZ-HNNXBMFYSA-N 316.430 2.070 0 50 DEAA COCc1cnc(OC)c(CNC[C@@H]2OCC[C@@H]2C(C)C)c1 2325773926 APQPSTOPKUHKKI-CVEARBPZSA-N 308.422 2.387 0 50 DEAA O=C(Nc1nnc(-c2ccccc2)s1)[C@@H](F)C1CCNCC1 2325778168 GCJSCZGDYPNZHL-LBPRGKRZSA-N 320.393 2.481 0 50 DEAA COc1ccc(-c2cn(C3CN(C(=O)CC4CC4)C3)nn2)cc1 2325822726 KXHZNJAMCZZODI-UHFFFAOYSA-N 312.373 2.137 0 50 DEAA CC1(C)CC(O)(C2(O)CC(C)(C)NC(C)(C)C2)CC(C)(C)N1 198752 IKHZFOJLDVTJDA-UHFFFAOYSA-N 312.498 2.330 0 50 DEAA O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccccn1 615424 AEKHNNIENKHATR-UHFFFAOYSA-N 313.342 2.257 0 50 DEAA Cc1ccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)cc1C 797669 SHLFTDAHROPLCA-UHFFFAOYSA-N 324.446 2.082 0 50 DEAA O=C(O)CCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 794625 DIRQBDZMMQBQLA-UHFFFAOYSA-N 304.346 2.116 0 50 DEAA CCN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O 2845445 AJXRUVMORFOWFQ-UHFFFAOYSA-N 301.327 2.011 0 50 DEAA Cc1ccc(NC(=O)C(=O)NC[C@@H]2OCCc3ccccc32)cc1 2895412 FMLAHQZKMCWVAU-KRWDZBQOSA-N 324.380 2.364 0 50 DEAA Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(N)=O 6701779 TWDMRTWNNFONQT-UHFFFAOYSA-N 308.334 2.034 0 50 DEAA COC(=O)/N=c1\[nH]c2ccc([S@](=O)c3ccccc3)cc2[nH]1 8584338 BEZZFPOZAYTVHN-QFIPXVFZSA-N 315.354 2.330 0 50 DEAA endogenous,investigational Cc1ncsc1CCC(=O)N[C@@H](CO)c1cccc(F)c1 412240948 JZLQLUVPVBFKFF-ZDUSSCGKSA-N 308.378 2.373 0 50 DEAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCC[C@H](N(C)C)CC1 225448764 XJNMXLDJTQEUGS-BBRMVZONSA-N 320.481 2.158 0 50 DEAA CN(C)[C@H]1CCCN(CCOCCOc2ccccc2)CC1 225442358 FXTCERCITMLIFH-KRWDZBQOSA-N 306.450 2.498 0 50 DEAA Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2csc(N)n2)c1 55099494 GVOAEZNKFHMTRU-NSHDSACASA-N 305.403 2.426 0 50 DEAA CCc1cnc(N2CCN(C(=O)[C@]3(C)CC3(F)F)CC2)s1 421773418 JHVZHJFCYRVCTE-ZDUSSCGKSA-N 315.389 2.399 0 50 DEAA CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2cc(Cl)ccc2Cl)C1 345290441 VIBZXFMSFMWADX-NWDGAFQWSA-N 318.200 2.144 0 50 DEAA C[C@H](CO)CN(Cc1ccccc1)C(=O)c1ncccc1O 55342729 GLOCRXFTRQMPNF-ZDUSSCGKSA-N 300.358 2.058 0 50 DEAA O=C(O)[C@H]1CC(=O)N(c2ccc(NCc3ccccc3)nc2)C1 65385629 HOMVPQCXUWZDOH-ZDUSSCGKSA-N 311.341 2.131 0 50 DEAA Cc1ccc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)nn1 67601908 SVFVLOMAXDODQY-UHFFFAOYSA-N 310.401 2.364 0 50 DEAA CN1CC[C@H](CNC(=O)NC[C@H]2CC[C@H](O)C2)c2ccccc21 248967941 RIXCXIMKDJWLDB-ZNMIVQPWSA-N 317.433 2.070 0 50 DEAA COc1ccccc1-c1ccc(N(C)Cc2nonc2C)nn1 67804789 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321.417 2.319 0 50 DEAA CCn1nccc1NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 607769509 KCHSBCOHAZPLEJ-UHFFFAOYSA-N 313.336 2.409 0 50 DEAA COc1cc(C)ccc1NC(=O)N1CC[S@](=O)C[C@@H](C)C1 459349229 IQAHALICGMMWSD-QKVFXAPYSA-N 310.419 2.236 0 50 DEAA Cc1ccn2c(NC(=O)c3cn(C4CC4)c(C)cc3=O)nnc2c1 287878665 MESWSNLXTRQATF-UHFFFAOYSA-N 323.356 2.095 0 50 DEAA O=C(COCc1ccccc1)N1CCN(c2ccccc2)C(=O)C1 82126897 FYPGBVAONSPDSB-UHFFFAOYSA-N 324.380 2.079 0 50 DEAA CC(C)Nc1ccc(C(=O)N2CC[C@@H](O)C23CCCC3)cn1 294327214 WETCJUHORCMXQF-CQSZACIVSA-N 303.406 2.422 0 50 DEAA O=C1CC[C@]2(CCOC2)CN1Cc1nnc(-c2ccccc2)o1 91586307 RBKMBPBQFZUOLY-KRWDZBQOSA-N 313.357 2.266 0 50 DEAA CN(C)C(=O)c1ccc(NC[C@H]2COc3ccccc3C2)nc1 91871921 YFFGZIHHMMWJLG-ZDUSSCGKSA-N 311.385 2.447 0 50 DEAA CN(C)[C@H](C(=O)NCc1ccc(O)cc1)c1ccccc1F 92028737 IPZNBJXCLVFASO-INIZCTEOSA-N 302.349 2.450 0 50 DEAA C[C@@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1nc2ccccc2[nH]1 97600910 USGGTCVZXUVKFB-SECBINFHSA-N 323.356 2.015 0 50 DEAA 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COC(=O)c1ccc(Nc2ccccc2N2CCOCC2)nc1 1857800691 JQBNNGMGKSKTQN-UHFFFAOYSA-N 313.357 2.448 0 50 DEAA CN(Cc1cccc(OC2CCNCC2)c1)Cc1cnccn1 299784526 IBFQPSAKVNNGNK-UHFFFAOYSA-N 312.417 2.239 0 50 DEAA O=C(CCSc1nc2ccccc2s1)N[C@@H]1C=CCNC1 2325795573 NMUMJGULTGLDJO-LLVKDONJSA-N 319.455 2.423 0 50 DEAA O=C(Cc1ccccc1)N1CCN(C(=O)c2cccs2)CC1 316965 IZSWPCQFFMWQPO-UHFFFAOYSA-N 314.410 2.275 0 50 DEAA O=C(O)CSC(SCC(=O)O)c1ccc2c(c1)OCO2 2009464 VNAYOZFFVJKRMJ-UHFFFAOYSA-N 316.356 2.050 0 50 DEAA CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1 3480985 LGPHTUKOUWJJSL-UHFFFAOYSA-N 304.371 2.189 0 50 DEAA C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 4731969 JUWBEHZBSOSSRJ-QWHCGFSZSA-N 304.365 2.437 0 50 DEAA O=C(CSc1ncn(-c2ccccc2)n1)NCc1ccco1 4841977 VKSRKFGJENIGKF-UHFFFAOYSA-N 314.370 2.269 0 50 DEAA Cc1cccc(-c2noc(C(=O)NCCCn3ccnc3)n2)c1 6700602 MJXRMEPOCQFFKF-UHFFFAOYSA-N 311.345 2.062 0 50 DEAA C[C@H](C(=O)N(C)C)N1CCc2onc(-c3cccc(F)c3)c2C1 67846950 XGNAZUMTKFUAKY-LLVKDONJSA-N 317.364 2.316 0 50 DEAA 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O=c1cc(CNc2ncnc3c2CCCC3)[nH]c2ccccc12 585139193 OYEZVGXHTWAURV-UHFFFAOYSA-N 306.369 2.809 0 50 DEAA CC[C@H](C)[C@@H](NC(=O)NCCCOCOC)C(F)(F)F 585136007 LWFUDUKUDBMKOR-VHSXEESVSA-N 300.321 2.273 0 50 DEAA Cn1cc(CN(C(=O)/C=C/c2cc(CO)cs2)C2CC2)cn1 952972693 WNJPKLHYAHCJPT-SNAWJCMRSA-N 317.414 2.178 0 50 DEAA CN1CCN(C[C@@H]2CCCN(Cc3cnccc3Cl)C2)CC1 952865037 NTUKUWLGZWOUBR-HNNXBMFYSA-N 322.884 2.194 0 50 DEAA C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)C1CCC(O)CC1 408057637 XFNMBKBFBQJJHI-HKXOLIFUSA-N 309.450 2.470 0 50 DEAA Cc1ccc2[nH]c(C(=O)N[C@@H]3CCCS(=O)(=O)C3)cc2c1C 408179604 FQZZHKOVBRXZBJ-GFCCVEGCSA-N 320.414 2.092 0 50 DEAA CCn1ccnc1C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C 279323293 BYNJFMWRPZCBBD-LLVKDONJSA-N 303.366 2.291 0 50 DEAA C[C@@H]1CN(Cc2cc3ccccc3n2C)CCS(=O)(=O)C1 583651951 WQCSYBTXKODJBC-CYBMUJFWSA-N 306.431 2.045 0 50 DEAA Cc1noc(C)c1[C@H](C)c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 680794208 IBJWJGFURSGROG-BIMULSAOSA-N 318.377 2.362 0 50 DEAA C[C@](NC(=O)Cc1ccc(Cl)s1)(C(N)=O)c1ccccc1 193775438 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313.357 2.145 0 50 DEAA Cn1ncc(C(=O)NC[C@@H]2CCCC(C)(C)O2)c1C(F)F 890132808 QUOHGASNOMFDDB-VIFPVBQESA-N 301.337 2.435 0 50 DEAA Cn1cc(C(=O)Nc2ccnn2C2CCC2)c([C@H]2CCOC2)n1 890359812 YFKGHEQZBXGONF-NSHDSACASA-N 315.377 2.098 0 50 DEAA O=S1(=O)CC[C@H](Nc2ncc(Cl)cn2)CC12CCC2 896684010 XMFXVZSJTXASIG-JTQLQIEISA-N 301.799 2.042 0 50 DEAA O=C(NCc1n[nH]c2c1CCCC2)[C@@H]1OCCc2ccccc21 1775988264 QVUGGLDJSRUPGU-QGZVFWFLSA-N 311.385 2.219 0 50 DEAA COCc1nc([C@@H]2CCCCCN2C(=O)c2ccccn2)no1 1776002292 ARCHFXSZWSIHJC-ZDUSSCGKSA-N 316.361 2.369 0 50 DEAA Cc1cc(C)cc(-n2ncc(C(=O)NCc3[nH]c(C)nc3C)n2)c1 2325774309 HBXOANLVQPYVKM-UHFFFAOYSA-N 324.388 2.154 0 50 DEAA CCn1cc(NC(=O)N(C)CCc2ccccc2)c(C(=O)O)n1 2325797671 MBRVHLWJDWVLNV-UHFFFAOYSA-N 316.361 2.308 0 50 DEAA Cc1nc(C2(NCc3ccnn3CCc3ccccc3)CC2)n[nH]1 2325802728 YHJZSAVBVBTOPO-UHFFFAOYSA-N 322.416 2.331 0 50 DEAA O=C(O)c1ccnc(-c2ccnc(NCCc3ccccn3)n2)c1 77521942 XNBTVCRATGWKAM-UHFFFAOYSA-N 321.340 2.286 0 50 DEAA O=S(=O)(c1ccccc1)c1ccc(N2CCOCC2)cc1 135480 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CCN(c1ccc(C(=O)NCC[C@@H]2CCC(=O)N2)cc1)C(C)C 241644474 PRAWVOZUQGPWQY-HNNXBMFYSA-N 317.433 2.320 0 50 DEAA COc1cccc(C(=O)N(C)c2ccc(S(C)(=O)=O)cc2)c1 336987521 VVOPBMMWDRINAT-UHFFFAOYSA-N 319.382 2.375 0 50 DEAA Cn1ncc2c1CCCN(C(=O)c1ncccc1C(F)(F)F)C2 333979571 BTQCQOSAOMJNGB-UHFFFAOYSA-N 324.306 2.423 0 50 DEAA CN(C)C/C=C/C(=O)N[C@H](c1ccccc1)C1CCOCC1 377786316 UWOWOZUEBGKZKJ-AHKGRUIUSA-N 302.418 2.388 0 50 DEAA Cc1cc([C@H](NC(=O)c2c(C)nn(C)c2C)C(=O)O)ccc1F 263086503 QDTUESXCEFUQLG-AWEZNQCLSA-N 319.336 2.040 0 50 DEAA O=C(CCCn1cncn1)N[C@H]1CC[C@H]1NC1CCCCCC1 72410836 GONFKHCCOXOZIN-CVEARBPZSA-N 319.453 2.018 0 50 DEAA O=C(Nc1ccccn1)[C@@H]1CCCCN1C(=O)c1cccnc1 173018694 RVMTULJEHISLFT-AWEZNQCLSA-N 310.357 2.110 0 50 DEAA CCc1noc(C)c1C(=O)N(C)C[C@@H]1COc2ccccc2O1 48217396 PCBGCVWUJDSGQG-GFCCVEGCSA-N 316.357 2.457 0 50 DEAA Cc1c(S(=O)(=O)Nc2nc3ccccc3s2)cnn1C 17031746 BAESJAMJHKCNCA-UHFFFAOYSA-N 308.388 2.139 0 50 DEAA CCCCOCC(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1C 85533996 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Cc1ncn(CCNC(=O)N(C)CCC[C@H]2CCCO2)c1C 584902642 SJQIQEWIPSCLQM-HNNXBMFYSA-N 308.426 2.101 0 50 DEAA COc1ccccc1Cc1nc(CN(C)Cc2ccncc2)n[nH]1 824821884 PLQZCGZZKIOADR-UHFFFAOYSA-N 323.400 2.431 0 50 DEAA CCc1nc(C)c(C(=O)N[C@@H]2COc3c(cccc3OC)C2)o1 584897461 IDRSMFJIRSZWED-LBPRGKRZSA-N 316.357 2.288 0 50 DEAA CC(=O)NCCc1nc(COc2ccc(C(C)(C)C)cc2)n[nH]1 670459488 PMMGXHYUWVCZPI-UHFFFAOYSA-N 316.405 2.360 0 50 DEAA O=c1c2ccncc2ncn1CCc1nc2c(s1)CCCC2 670471244 PTQBJJYNRDTKHZ-UHFFFAOYSA-N 312.398 2.370 0 50 DEAA CCn1cc(CN(C)CC(=O)NCc2cccs2)c(C)n1 670439674 ZOEZZNPBDPZEGP-UHFFFAOYSA-N 306.435 2.021 0 50 DEAA CNC(=O)[C@H]1CCCCN1Cc1cnc(-c2cccs2)nc1 952968266 FOMNNADYWDAJFP-CYBMUJFWSA-N 316.430 2.306 0 50 DEAA CN(Cc1cccc2cnccc12)S(=O)(=O)N1CCCC1 952969648 FSJMSNAILIIJFL-UHFFFAOYSA-N 305.403 2.007 0 50 DEAA CCCn1ncc(C(=O)N2CC(C)(C)[C@@](O)(C3CC3)C2)c1C 1565516409 AXMNDLMRCFGBTP-KRWDZBQOSA-N 305.422 2.225 0 50 DEAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1COc2ccccc21 268934647 FTNVNWWVGIFXKU-HZPDHXFCSA-N 323.348 2.201 0 50 DEAA Cc1cc(C(=O)NC[C@@]2(O)CCc3ccccc32)c2n[nH]cc2c1 269863608 RQKWPQIVBDWHPV-IBGZPJMESA-N 321.380 2.435 0 50 DEAA COc1ccc(CN2CCC[C@H]2CN(C(C)=O)C2CC2)cn1 276429793 LTCPPBKOJIMZEI-INIZCTEOSA-N 303.406 2.066 0 50 DEAA CN(CCN(C)C1CC1)C(=O)[C@H]1CCO[C@H](c2ccccc2)O1 408517318 GSMKYZBFSKKZSG-AEFFLSMTSA-N 318.417 2.043 0 50 DEAA O=C1NCCN1c1ccc(F)c(NC(=O)C(F)(F)C(F)F)c1 408520301 IPQQNJZTBAHEEI-UHFFFAOYSA-N 323.221 2.194 0 50 DEAA O=C(Nc1cc(C(=O)N2Cc3ccc(O)cc3C2)ccn1)C1CC1 628537857 RQVBVTCFUOBIFQ-UHFFFAOYSA-N 323.352 2.292 0 50 DEAA Cc1noc([C@H]2CN(C(=O)c3oc(C)cc3C)C[C@@H](C)O2)n1 628856783 PEJWTYFKIVQZFF-ZYHUDNBSSA-N 305.334 2.190 0 50 DEAA O=S(=O)(c1ccc(Oc2cccc[n+]2[O-])cc1)C(F)(F)F 170614705 DLEXGWQJSSVPDU-UHFFFAOYSA-N 319.260 2.406 0 50 DEAA O=C(O)c1ccc(OCCNC(=O)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)cc1 630155284 GYNYLPZXIOAXOZ-AKSVOJBYSA-N 315.369 2.172 0 50 DEAA O=C(NCC(F)(F)F)N1CC[C@]2(C1)OCc1ccccc12 185923418 NBDKULBDXMMNNT-CYBMUJFWSA-N 300.280 2.390 0 50 DEAA COc1ccc2c(c1)CCN(c1nnc(-c3cccnc3)n1C)C2 668993851 DUQNECPEAJEJBS-UHFFFAOYSA-N 321.384 2.448 0 50 DEAA C[C@@H](O)CN1CCN(Cc2cc(F)ccc2Cl)[C@H](C)C1 192805903 PYFQSZRTCKZACI-VXGBXAGGSA-N 300.805 2.366 0 50 DEAA CCC[C@@H]1CCCN1CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 1604152027 GAZPDSZGWWQWCN-CQSZACIVSA-N 314.393 2.070 0 50 DEAA N[C@H]1CC12CC(NC(=O)c1ccc(C3CCOCC3)cc1)C2 1615544565 AGBPUUWEZWRWCQ-PQUAAJSLSA-N 300.402 2.190 0 50 DEAA Cc1conc1CNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 1616037223 CUDQRGQXPGJXEB-OLZOCXBDSA-N 314.341 2.174 0 50 DEAA COc1cc(C)c(C)cc1S(=O)(=O)N(C)Cc1ncc(C)[nH]1 1506421375 FQTYHZQDVRRFBW-UHFFFAOYSA-N 323.418 2.164 0 50 DEAA Cc1n[nH]c(C)c1CC(=O)N(Cc1c(C)nn(C)c1C)C1CC1 1506421627 KCWHYNXAPBFFJO-UHFFFAOYSA-N 315.421 2.111 0 50 DEAA Cn1ccnc1NC(=O)CCCc1nc(-c2ccco2)no1 1506402023 PMRIUMWOGZTXCV-UHFFFAOYSA-N 301.306 2.025 0 50 DEAA Cc1ncc(S(=O)(=O)N[C@@H](CC(=O)O)CC(C)(C)C)s1 230099891 VRXBMYYTBOXXFM-VIFPVBQESA-N 320.436 2.009 0 50 DEAA Cc1ncc(Cl)c(N2CCC3(CCNC(=O)CC3)CC2)n1 1772701536 MWAGXIXVQXCOTL-UHFFFAOYSA-N 308.813 2.325 0 50 DEAA CCN1C(=O)C[C@@H](N2CCC(Cc3ccccc3)CC2)C1=O 19882088 QMPXTDFIZSMXBR-MRXNPFEDSA-N 300.402 2.089 0 50 DEAA Cc1cncc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)c1 1857528588 METKXMHSKDPXOL-MNOVXSKESA-N 300.362 2.065 0 50 DEAA O=C1NCCC[C@]12CN(C1CC3(CCCCC3)C1)CC[C@@H]2O 1857687732 BQDVBYZYDGIPQH-MAUKXSAKSA-N 306.450 2.062 0 50 DEAA O=C(N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1)c1ccncc1 1857730960 FOCHOEJWFCUBGO-FGTMMUONSA-N 323.396 2.026 0 50 DEAA COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]3CCCC[C@H]32)o1 230206118 RLNWIGDIINNZTN-GHMZBOCLSA-N 313.375 2.019 0 50 DEAA CN(C[C@H]1CCn2ccnc2C1)C(=O)COC1CCCCC1 328627327 MQORUSQKOUCAIV-AWEZNQCLSA-N 305.422 2.253 0 50 DEAA O=C(CCC1CCOCC1)N1CC[C@H](Oc2ccccn2)C1 330045155 GEHYCIIVFNNUAS-HNNXBMFYSA-N 304.390 2.268 0 50 DEAA CCS(=O)(=O)c1ccc(CN2CCOCC3(CCC3)C2)cc1 450744193 LHSRGISKICQXQG-UHFFFAOYSA-N 323.458 2.483 0 50 DEAA C[C@H]1CCCCN1CCC1CCN([C@H](C)c2nnnn2C)CC1 248936834 CBXNFXDITIIMOD-LSDHHAIUSA-N 320.485 2.248 0 50 DEAA CC(=O)NC[C@H]1CN(C[C@@H](C)c2cccc(Cl)c2)CCO1 249784879 LZDGQUWABRGMQM-WBMJQRKESA-N 310.825 2.280 0 50 DEAA O=c1[nH]ncc(N2CCC(CCCn3ccnc3)CC2)c1Cl 253398737 STFXKROWPDWXBD-UHFFFAOYSA-N 321.812 2.317 0 50 DEAA Cc1ccc(C(=O)NC2CCN(c3nccn3C)CC2)cc1F 373030331 VSYIKWVOBCXBLK-UHFFFAOYSA-N 316.380 2.266 0 50 DEAA CC[C@](NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)(C(=O)O)c1ccccc1 262099385 HJOHRCVZXBJIRQ-VMUDFCTBSA-N 303.358 2.060 0 50 DEAA Cc1cccc(Cl)c1CN[C@H]1C(=O)NCC12CCOCC2 933035372 KHBZHGMAGJOYJE-AWEZNQCLSA-N 308.809 2.033 0 50 DEAA COc1ccc2nc(C)c(C(=O)N(C)Cc3ncon3)cc2c1 935259450 ICZXRMPZJZLLIG-UHFFFAOYSA-N 312.329 2.207 0 50 DEAA Cc1cc(C(=O)N[C@H]2CCCC[C@H]2O)oc1Br 1875271665 RUJINDMIQKGWIO-DTWKUNHWSA-N 302.168 2.384 0 50 DEAA O=C(NCc1nc(-c2ccco2)n[nH]1)c1ccnc(C2CC2)c1 1875258929 AQZKIUDSAWIKAT-UHFFFAOYSA-N 309.329 2.267 0 50 DEAA COC(=O)c1cnc(NC(=O)C[C@H]2CCC(F)(F)C2)c(O)c1 1875273730 PXTJXLWFXGJXFU-MRVPVSSYSA-N 314.288 2.338 0 50 DEAA Cc1cccnc1CNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1875289055 QYGDPGKMRXMQKG-MNOVXSKESA-N 300.362 2.065 0 50 DEAA C=CC(=O)N1CCC(C(=O)N2CCC(CCCOC)CC2)CC1 1875366118 NVXOEEQBABTUJG-UHFFFAOYSA-N 322.449 2.076 0 50 DEAA O=C(Nc1nc2c(s1)CCCC2)N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12 1875304538 NGBPBPYWTMVEHF-GMOBBJLQSA-N 307.419 2.160 0 50 DEAA Cc1cc([C@@H]2CCCN2C(=O)[C@H]2[C@@H](C)[C@H](C)[C@H]2C(=O)O)no1 1875343618 OWIZKHSITGCMLD-OIAGVMEESA-N 306.362 2.249 0 50 DEAA Cc1cccc(CN=c2ccc(C(=O)N3CC[C@H](C)C3)n[nH]2)c1 1875325550 ORPJDSWIKDAFAQ-AWEZNQCLSA-N 310.401 2.301 0 50 DEAA COc1ccc(-c2ncc(C(=O)NCC3CC(N)C3)s2)cc1 877318495 DSGJEUSLSCZJTP-UHFFFAOYSA-N 317.414 2.286 0 50 DEAA COC1(C(=O)N2CCC(c3ccccc3C(=O)O)CC2)CC1 888099210 XCKKCAVMAYLTNO-UHFFFAOYSA-N 303.358 2.270 0 50 DEAA CO[C@H](C)Cn1c(=O)c2c(C(F)(F)F)cc(C)nc2n1C 888091019 NUHISVPWMOFPAY-MRVPVSSYSA-N 303.284 2.097 0 50 DEAA COc1ccc2c(c1)CC[C@@H]([C@@]1(O)C(=O)Nc3ccccc31)C2=O 70117 SAQPNKARGABGFN-DNVCBOLYSA-N 323.348 2.280 0 50 DEAA NC1CC2(C1)C[C@@H]2C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 2325778693 KKIJLLNOIVNIEB-PICYPNOHSA-N 314.429 2.398 0 50 DEAA CN=c1[nH]cncc1NC(=O)C1(c2cccc(Cl)c2)CC1 2325794461 CIANONQJHLVDIZ-UHFFFAOYSA-N 302.765 2.264 0 50 DEAA O=C(O)CC[C@H]1C[C@H](NC(=O)c2cccnc2N2CCCC2)C1 2325799088 SYCBUOZUIDICRT-JOCQHMNTSA-N 317.389 2.055 0 50 DEAA Cc1ccc([C@@H](N)CNC(=O)c2cnc3cnccc3c2)cc1 2325857149 RAPCKWDADUKZNU-INIZCTEOSA-N 306.369 2.368 0 50 DEAA CN(C)c1cncc(C(=O)Nc2c[nH]nc2-c2ccccn2)c1 2325875011 DEDQRPRLNAQDIW-UHFFFAOYSA-N 308.345 2.185 0 50 DEAA CCc1nc[nH]c1C(=O)N[C@@H](C(=O)OC)c1ccc(Cl)cc1 906867143 VCIWQNBYZMHABF-GFCCVEGCSA-N 321.764 2.270 0 50 DEAA CC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)C(F)(F)F)C1 313276 UEPGNFSAGLGIMK-JTQLQIEISA-N 323.221 2.190 0 50 DEAA CN(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 545960 OEHLTMGFSCJGHR-KBPBESRZSA-N 316.854 2.491 0 50 DEAA COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(F)cc1 2989120 LINAGCMDDVGFQO-UHFFFAOYSA-N 310.302 2.415 0 50 DEAA biogenic CC[C@@H](CO)N(Cc1cccnc1)Cc1cccc2nonc12 55211953 RVRZRRUMAOWISF-HNNXBMFYSA-N 312.373 2.391 0 50 DEAA Cn1nccc1CCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 225559164 QNDOALFOJLQTDL-BBRMVZONSA-N 307.344 2.049 0 50 DEAA O=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CCOCC1 20606111 CLCKPTGDGUEASQ-UHFFFAOYSA-N 321.764 2.045 0 50 DEAA CCNc1cc(C)nc(NCCNC(=O)c2ccccc2F)n1 62012607 GWJGMGJWPFUEQX-UHFFFAOYSA-N 317.368 2.198 0 50 DEAA C[C@H]1CC(=O)c2cc(C(=O)NC3CCCCC3)c(=O)[nH]c2C1 67640907 ALNOJSCUFADVSA-SNVBAGLBSA-N 302.374 2.202 0 50 DEAA O=C(O)c1ccccc1CN1CCC[C@@H](C(=O)N2CCCC2)C1 67855177 PJWLLOJJQPEGSL-OAHLLOKOSA-N 316.401 2.219 0 50 DEAA CC(=O)NCCc1nc(CC(C)C)nn1-c1ccccc1F 65387459 RGQLDRQPLCVBDL-UHFFFAOYSA-N 304.369 2.284 0 50 DEAA O[C@H](COCc1ccccc1F)CN1CCC[C@H]1c1ccn[nH]1 252549996 RYUJRCHJOFVXFL-YOEHRIQHSA-N 319.380 2.263 0 50 DEAA O[C@@H](CN1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1)c1ccc(F)cn1 253430302 VZIRXRPNCPELRM-USJZOSNVSA-N 319.424 2.060 0 50 DEAA O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NC1CCCCC1 32097215 QUJDVNCHCIGPID-AWEZNQCLSA-N 315.373 2.226 0 50 DEAA CC(C)(O)CC(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 281218860 NMLASILXWWJZMK-SECBINFHSA-N 319.327 2.296 0 50 DEAA COC[C@H](NC(=O)c1cn(C)c2ccccc12)c1ccnn1C 219386922 YZMRSGWVYHBPEJ-AWEZNQCLSA-N 312.373 2.029 0 50 DEAA Cc1cc2c(cnc3ncnn32)c(=O)n1-c1ccc(Cl)cc1 36365669 SZDJLWNTQIPPCE-UHFFFAOYSA-N 311.732 2.390 0 50 DEAA O=C1C[C@H]2[C@H](C[C@@H](O)[C@@H]2CC[C@@H](O)CCc2ccccc2)O1 38440322 CQVHXVLSHMRWEC-UTSKFRMZSA-N 304.386 2.073 0 50 DEAA in-vitro Cc1cc([C@@H]2CCCN2C(=O)c2ccnn2CC(F)F)on1 331453027 XWIBJCPDIQTHPO-JTQLQIEISA-N 310.304 2.422 0 50 DEAA Cn1c(Cl)cnc1CN1CC[C@]2(C1)C(=O)Nc1ccccc12 368789076 BJLUZDIOESDJFF-MRXNPFEDSA-N 316.792 2.169 0 50 DEAA CCOC(=O)Cn1nc(-c2ccc(SC)cc2)ccc1=O 72117518 LBYGUXCDLWGLIS-UHFFFAOYSA-N 304.371 2.195 0 50 DEAA Cc1ccc2[nH]nc(C(=O)NC3CCC(C(=O)O)CC3)c2c1 237863933 IEFBRCZGVVYACS-UHFFFAOYSA-N 301.346 2.245 0 50 DEAA COc1cccnc1CC(=O)NCCO[C@H]1CCCC[C@H]1C 241719887 QQNGCKKAOHOQDE-HIFRSBDPSA-N 306.406 2.344 0 50 DEAA CCN(C(=O)c1cc2ccc(F)cc2nc1C)[C@H]1CCNC1=O 283116475 YAKCZVDFIJPTJU-HNNXBMFYSA-N 315.348 2.033 0 50 DEAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C2CC2)cc1 263466012 GGNRLHMUIBMERQ-BPLDGKMQSA-N 321.398 2.190 0 50 DEAA CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1n[nH]c2c1CCC2 334160487 FVBNVOMBGIVTTP-BBRMVZONSA-N 316.449 2.235 0 50 DEAA Cc1nc2ccccn2c1CC(=O)NCC[C@@H]1CCCOC1 426726887 NNPOZRVQIFALND-AWEZNQCLSA-N 301.390 2.118 0 50 DEAA O=C([C@@H]1COc2ccccc2C1)N1CCCN(CC(F)F)CC1 179604939 LSHBSEPLZLOLSW-AWEZNQCLSA-N 324.371 2.037 0 50 DEAA Cc1cc(C(=O)N(CCN(C)C)C2CCCCC2)nc(C)n1 347647447 YJIMYDVYHLKNBX-UHFFFAOYSA-N 304.438 2.430 0 50 DEAA Cc1ccc2nc(CN3C[C@@H]4CCC[C@H](C3)C(=O)N4)[nH]c2c1C 244899447 ZKCFJBJNEQSTPV-KGLIPLIRSA-N 312.417 2.280 0 50 DEAA NC(=O)[C@@H](c1ccccc1)N1CC[C@H](n2cnc3c2CCCC3)C1 299740782 BSDBPGZMNFATQQ-MAUKXSAKSA-N 324.428 2.235 0 50 DEAA Cc1ncn(C)c1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 299791120 DCDDBUBZLQLGEV-CQSZACIVSA-N 303.337 2.081 0 50 DEAA CCCn1cnnc1CNC(=O)c1ccc(Cn2cccc2)cc1 823031285 HFWNJZQZHUIXFN-UHFFFAOYSA-N 323.400 2.468 0 50 DEAA Cc1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCCN1C 823777553 GURFCPYHSOMHCT-GFCCVEGCSA-N 316.854 2.411 0 50 DEAA CCCc1cc(CNC(=O)c2cc(C)n3nc(C)cc3n2)on1 584884518 NFMRFRWMFUNRLY-UHFFFAOYSA-N 313.361 2.217 0 50 DEAA O=C(NCc1noc(-c2cccs2)n1)c1n[nH]cc1Cl 670449853 MOCVAUBKDDRBLH-UHFFFAOYSA-N 309.738 2.105 0 50 DEAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1nc2ccccn2c1F 584887116 RQNBPHJQMDPREA-QMMMGPOBSA-N 301.325 2.304 0 50 DEAA Cc1nncn1CCN(C)Cc1nc2ccc(Cl)cc2[nH]1 670435299 DAJFOMCJQKRONF-UHFFFAOYSA-N 304.785 2.248 0 50 DEAA CCN1CCC(NC(=O)c2ccc(Br)o2)CC1 16602385 HHNKCXYMEFAHOS-UHFFFAOYSA-N 301.184 2.256 0 50 DEAA Fc1ccccc1OC[C@@H]1CCCN(CCn2cnnc2)C1 670465101 JNOWOXSFDURCPT-CQSZACIVSA-N 304.369 2.208 0 50 DEAA CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cnccc2C)cn1 685942247 ORPXXSJKUZPHDT-JKSUJKDBSA-N 314.389 2.336 0 50 DEAA c1ccc(N2CC[C@H](NCc3cn4c(n3)SCC4)C2)cc1 952969781 GGXKNCDKIGTXQS-ZDUSSCGKSA-N 300.431 2.357 0 50 DEAA COC(=O)[C@H]1CCCCN1CCCN(C)C(=O)OC(C)(C)C 71863839 PCKBURMQDNEOFI-CYBMUJFWSA-N 314.426 2.271 0 50 DEAA in-vitro COC[C@H]1[C@@H](NC(=O)c2ccn(C(C)(C)C)c2)[C@H]2CCO[C@H]21 1565512546 UCTWTMODCOGSGV-CBBWQLFWSA-N 306.406 2.023 0 50 DEAA COc1ccc(C(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)c(OC)c1 1565508811 QVVNFDGLWMOUDJ-CVEARBPZSA-N 320.433 2.362 0 50 DEAA CC(=O)Nc1cnn(CC(=O)N(C2CCC(C)CC2)C2CC2)c1 408525011 HBZIFPGRFYOXNR-UHFFFAOYSA-N 318.421 2.411 0 50 DEAA Cc1cccc(C(=O)N2CCC(Cn3cncn3)CC2)c1F 275095755 BDPHLRNUOWVBHA-UHFFFAOYSA-N 302.353 2.278 0 50 DEAA Cc1cnn(-c2ccc(C(=O)NCc3nnc(C4CC4)o3)cc2)c1 186907166 MLDDOYRMFPJNBE-UHFFFAOYSA-N 323.356 2.371 0 50 DEAA Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](n3ccnn3)C2)c(C)c1 639711730 RJGNJLZZGGSKFR-GJZGRUSLSA-N 313.405 2.169 0 50 DEAA C[C@@H]1CN(CCN2CCC(N(C)c3ccccc3)CC2)CCO1 191542124 HJPYDZCSAPEWHD-QGZVFWFLSA-N 317.477 2.308 0 50 DEAA CN(c1cccnn1)C1CCN(c2nc3ccccc3n2C)CC1 192164539 YMVVKUGYXMGYIV-UHFFFAOYSA-N 322.416 2.469 0 50 DEAA CN(C)S(=O)(=O)c1ccc(NCc2cccc(F)c2)nc1 193713486 UEJSPHNBGYZMFJ-UHFFFAOYSA-N 309.366 2.083 0 50 DEAA C[C@@H]1c2c(F)cccc2CCN1C(=O)c1cc2n(n1)CCO2 585084945 IIODQVSFOBVAMO-SNVBAGLBSA-N 301.321 2.174 0 50 DEAA COC(=O)c1cnc(N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)nc1 588039572 RGHREOWGKQIGHG-SPWCGHHHSA-N 319.405 2.029 0 50 DEAA O[C@@H]1C[C@H](NCc2cccc(-c3cccnc3)c2)[C@H]1n1cccn1 657515908 PRNYFLMRORNVGJ-IPMKNSEASA-N 320.396 2.409 0 50 DEAA O=C1Nc2ccccc2[C@]12CCN(c1cnc(Cl)cn1)C2 1615003188 GTWPLLWKHOGDMH-OAHLLOKOSA-N 300.749 2.230 0 50 DEAA C[C@H](CCN(C)c1cccc(C(=O)N(C)C)n1)N1CCCC1 1506427183 KZXAKXJLINMYJH-CQSZACIVSA-N 304.438 2.094 0 50 DEAA CCc1noc(NC(=O)c2cc(C(C)C)n3ncnc3n2)c1C 1506400012 LMCBECPYUUJJGU-UHFFFAOYSA-N 314.349 2.359 0 50 DEAA CC[C@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)[C@H]1CCCO1 110704565 MSSCMYBIZDMZRI-UHOFOFEASA-N 301.394 2.271 0 50 DEAA Cc1ncc(S(=O)(=O)N[C@H](CC(=O)O)CC(C)(C)C)s1 230099897 VRXBMYYTBOXXFM-SECBINFHSA-N 320.436 2.009 0 50 DEAA Cc1noc(C)c1-c1nccn1-c1ccc2c(c1)C(=O)NCC2 1772816712 ZMBNRJCYJCDPJP-UHFFFAOYSA-N 308.341 2.430 0 50 DEAA Cc1cccc(CN2CCC[C@](O)(CN(C)CC(C)C)C2=O)c1 12578264 IJQLBOBEDORSAV-IBGZPJMESA-N 318.461 2.436 0 50 DEAA Cc1ncsc1C(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 12591075 ZBTABAOZTBOBHL-CYBMUJFWSA-N 321.446 2.363 0 50 DEAA CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 13669406 KZMFBGQEUULNBK-CYBMUJFWSA-N 324.446 2.345 0 50 DEAA COc1ccccc1C(=O)Nc1cnc2ccc(C)cn2c1=O 14291602 HEQBCXGNAXFVIH-UHFFFAOYSA-N 309.325 2.264 0 50 DEAA CNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 19789571 WQTFPOVKDLNKNK-UHFFFAOYSA-N 323.440 2.364 0 50 DEAA COc1ccc(-c2ccc3c(O)nc(S)nc3n2)c(O)c1 1857526922 OTOHUPQNKAQYCN-UHFFFAOYSA-N 301.327 2.400 0 50 DEAA Cc1nc[nH]c1-c1nccn1-c1c(N2CCCC2)nn(C)c1C 1857682273 UQQPBBXVFJZEHD-UHFFFAOYSA-N 311.393 2.213 0 50 DEAA O=C1NCCC[C@]12CN(C1CC3(CCCCC3)C1)CC[C@H]2O 1857695864 BQDVBYZYDGIPQH-CRAIPNDOSA-N 306.450 2.062 0 50 DEAA Cc1c(C(=O)N2CCCNCC2)cnn1-c1cccc(Cl)c1 237743614 RUNPFACAPIOHBJ-UHFFFAOYSA-N 318.808 2.270 0 50 DEAA Cc1ocnc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 110698369 PULSSZIPYFGJCA-ZFWWWQNUSA-N 321.327 2.436 0 50 DEAA CS(=O)(=O)c1cccc(-c2ccc([C@H]3CNC(=O)C3)cc2)c1 1875245172 NHYPEACBEVJTIW-OAHLLOKOSA-N 315.394 2.361 0 50 DEAA CN(C)C(=O)N1CCC(c2nc(-c3ccc(O)cc3)no2)CC1 225555270 YMKJMEDWYJKUPO-UHFFFAOYSA-N 316.361 2.303 0 50 DEAA COc1ccc([C@H](NC(=O)c2nccnc2N)C(C)C)cc1 114677131 FASLTSPYXMXMTJ-CYBMUJFWSA-N 300.362 2.195 0 50 DEAA CCOC(=O)c1c(Br)nn(C)c1Br 138563674 HSIBNRIZSHOSIM-UHFFFAOYSA-N 311.961 2.122 0 50 DEAA in-vitro O=C(c1cc2c(cn1)OCCC2)N1CCc2ccccc2[C@@H]1CO 364985790 KHCIBYLXFWHXBP-KRWDZBQOSA-N 324.380 2.139 0 50 DEAA Cc1cc(C(C)(C)C)ccc1OC[C@H](O)Cn1cnccc1=O 267387377 CBOWBZGHSLLCHL-OAHLLOKOSA-N 316.401 2.289 0 50 DEAA CC(=O)Nc1ccc2c(c1)CN(C(=O)NCc1cccnc1)CC2 871626928 BRJHUIPLUBOJMO-UHFFFAOYSA-N 324.384 2.308 0 50 DEAA C[C@@H](C1CCOCC1)n1nc(-c2nc[nH]n2)nc1-c1ccc[nH]1 1875347172 JQQPDPGTTSUNIA-JTQLQIEISA-N 313.365 2.046 0 50 DEAA COc1ccc(C)cc1Cc1nnc([C@]2(OC)CCOC2)o1 886085702 KUMVAZYFZNYPIS-INIZCTEOSA-N 304.346 2.239 0 50 DEAA CO[C@H]1C[C@H](c2nnc(C)o2)N(c2nc(C3CC3)ns2)C1 1775957392 RUUJTHWERKNOIT-VHSXEESVSA-N 307.379 2.073 0 50 DEAA CCC(CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O 1775993773 KFCABTODHXLVJR-HOTGVXAUSA-N 318.417 2.124 0 50 DEAA CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC1CCN(C2CC2)CC1 400360612 NPKTVVSIXNWUFH-KCXAZCMYSA-N 321.465 2.211 0 50 DEAA Cc1ccc(C[C@H](CNC(=O)c2cc(C)sn2)C(=O)O)cc1 2325762921 SFYIFAVHMKRYFR-CYBMUJFWSA-N 318.398 2.433 0 50 DEAA COc1ccc2nc(N3CC[C@@H]4CCNC(=O)[C@@H]4C3)ccc2c1 2325775587 NKSNGRSGVDRREQ-SWLSCSKDSA-N 311.385 2.206 0 50 DEAA Cc1ccncc1CN(C)C(=O)COc1ncccc1Cl 2325822888 USWOASDEZJIGOM-UHFFFAOYSA-N 305.765 2.476 0 50 DEAA Cc1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 466327 NEGFJMQEXVHJHA-UHFFFAOYSA-N 305.355 2.202 0 50 DEAA O=S(=O)(CCO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2511145 QGINSQDXMKHIOR-UHFFFAOYSA-N 322.226 2.490 0 50 DEAA CCS(=O)(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 4841799 NUFQKPWZGKMURZ-UHFFFAOYSA-N 310.419 2.464 0 50 DEAA O=C(NCc1ccco1)C1CCN(C(=O)c2ccco2)CC1 8246463 TWUZZVIBTGSACT-UHFFFAOYSA-N 302.330 2.041 0 50 DEAA O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)C1CCN(CC(F)F)CC1 225805718 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CC(C)NC(=O)[C@H]1CC(c2cccc(Br)c2)=NO1 814958 UFXKAUJKLPZDIP-GFCCVEGCSA-N 311.179 2.467 0 50 DEAA CN(C)C[C@]1(CO)CCCN(Cc2cccc3cc[nH]c23)C1 215464555 ALUXNMJNXOUDFM-GOSISDBHSA-N 301.434 2.304 0 50 DEAA C[C@H](CNC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)c1ccsc1 230167190 GKTBXBKXZCSWOR-MRVWCRGKSA-N 321.446 2.304 0 50 DEAA O=C(NCC1(Cn2cccn2)CC1)c1ccc([C@H]2CCNC2)cc1 72145748 HOYLEBZOXZDIOF-KRWDZBQOSA-N 324.428 2.170 0 50 DEAA Cc1cnc(COCC(=O)NC[C@@H]2C[C@H]2c2ccccc2)o1 357640853 ODJUFOAVNZXKNV-GJZGRUSLSA-N 300.358 2.420 0 50 DEAA Cc1nccn1C[C@H]1CCCN1C(=O)NC[C@@H]1CCCS1 125121537 FKIAGIZYYKFCIH-KGLIPLIRSA-N 308.451 2.261 0 50 DEAA C[C@@]1(NCC(=O)O)CCN(Cc2csc(C3CCCC3)n2)C1 328607961 XTPJCQPRMGOIGO-MRXNPFEDSA-N 323.462 2.439 0 50 DEAA CNc1nc(C(=O)NCc2cn3cc(C)ccc3n2)cs1 216496658 HKCVCAICIZJKGR-UHFFFAOYSA-N 301.375 2.071 0 50 DEAA COc1ccc(CC(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 237174431 ITKIIZUKYZKUMJ-AWEZNQCLSA-N 305.374 2.341 0 50 DEAA Cc1cc2c(cc1C)[C@H](C(=O)N1CCc3c(ncn3C)C1)CO2 372115396 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CN(C)c1ccc(C(=O)NCCN2CCCc3ccccc32)cn1 97679929 IPLMXMCNHFUMCZ-UHFFFAOYSA-N 324.428 2.330 0 50 DEAA Nc1cc(N2CCC[C@H](COc3ccc(F)cc3)C2)nc(N)n1 95523993 IMAHEVFSFLAUDS-NSHDSACASA-N 317.368 2.076 0 50 DEAA CN(C)c1ccc(C2(C(=O)N3CCOCC(F)(F)C3)CC2)cc1 294147291 LHSPAQIJANOVRE-UHFFFAOYSA-N 324.371 2.278 0 50 DEAA O=C(CCCc1cn[nH]c1)NCc1csc(N2CCCC2)n1 97766454 UYGFTHPICRJWDK-UHFFFAOYSA-N 319.434 2.106 0 50 DEAA CN(CC(=O)NCc1cccs1)C[C@@H]1Cc2ccccc2O1 244707816 KIARMJGVZUQFJS-AWEZNQCLSA-N 316.426 2.300 0 50 DEAA CCCc1nc(CNc2cc([C@H]3C[C@@H](O)C3)nc(N)n2)cs1 244795491 RHHUBQNQVZLVSK-JGZJWPJOSA-N 319.434 2.318 0 50 DEAA CN(CCC(=O)Nc1cccnc1)Cc1ccc2nonc2c1 252489281 JNLZUEALFJCSCJ-UHFFFAOYSA-N 311.345 2.078 0 50 DEAA O[C@@H](c1ccccn1)C1CCN(CCn2cc(Cl)cn2)CC1 252500064 SMQVLTUPZNRHRE-MRXNPFEDSA-N 320.824 2.377 0 50 DEAA CCCCOc1ccc(NC(=O)N(C)[C@H]2COC[C@@H]2O)cc1 299777439 NITUTQNUYUZLLZ-GJZGRUSLSA-N 308.378 2.089 0 50 DEAA Cc1cccc(-n2cc(CNC(=O)[C@@H]3CCCNCC3)cn2)c1 299759516 TVRQOVJHXDZORH-MRXNPFEDSA-N 312.417 2.187 0 50 DEAA CC1(c2nc(CC(N)=O)nn2-c2ccc3ccccc3c2)CC1 826841880 DINGPVWMKXVJOH-UHFFFAOYSA-N 306.369 2.500 0 50 DEAA CCOC(=O)N1CC[C@H](NCCCn2nc(C)c(C)c2C)C1 584893557 CUHUYZCABKWLEK-HNNXBMFYSA-N 308.426 2.019 0 50 DEAA Cn1c2c(ccc1=O)[C@H](NC(=O)c1cccc(O)c1F)CCC2 1434145699 MVRGODITJVNKAU-GFCCVEGCSA-N 316.332 2.037 0 50 DEAA CC(C)CN1CCN(C(=O)c2cccn2C2CC2)[C@H](C)C1=O 952964368 NECBODKWUSYORU-CYBMUJFWSA-N 303.406 2.152 0 50 DEAA CCSc1ccccc1NC(=O)[C@H](C)N1CCN(C)CC1 952872272 LQDZAZYFROMAKO-ZDUSSCGKSA-N 307.463 2.373 0 50 DEAA CC1=C(C(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)OCCO1 952981507 XDKVNIIWLXVQIH-OAHLLOKOSA-N 316.401 2.250 0 50 DEAA Cc1nn(C)c(C)c1CCC(=O)NCCCn1cc(Cl)cn1 952979009 SOAUTYRHOGOHTL-UHFFFAOYSA-N 323.828 2.026 0 50 DEAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)NCCC2CC2)C1 276818128 XHDNCXJOPNWTNN-CQSZACIVSA-N 318.421 2.110 0 50 DEAA Cc1nc(C(F)(F)F)c(CS(=O)(=O)[C@H](C)[C@@H](C)O)s1 273442134 DIXKDIRHEGCVOM-PHDIDXHHSA-N 317.354 2.154 0 50 DEAA O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2cncn2)C1 170085389 QIRQKVNQOOWZPF-GFCCVEGCSA-N 310.279 2.384 0 50 DEAA Nc1cccc(CNS(=O)(=O)c2cccc3ncccc23)c1 170596253 XRPOUVZZSGAOLF-UHFFFAOYSA-N 313.382 2.296 0 50 DEAA Cc1cc(C(=O)NCC(=O)C(C)(C)C)nc(C(F)(F)F)n1 187390133 MCQMXMGAQRNTDY-UHFFFAOYSA-N 303.284 2.149 0 50 DEAA CN1C(=O)CCc2cc(CN3CCC[C@H]3Cn3ccnc3)ccc21 188412206 CYRYHDQUOBJXQE-KRWDZBQOSA-N 324.428 2.457 0 50 DEAA C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1ncnn1C 189490744 JTDQGFXHVYHHFF-SMDDNHRTSA-N 306.797 2.431 0 50 DEAA CN(C)C(=O)C[C@@]1(O)CCCN(C/C=C/c2ccccc2)C1 643755104 KZVGWEIMJFNXDF-OPUMOTSWSA-N 302.418 2.005 0 50 DEAA C[C@@H](O)CNC(=O)Nc1nnc(-c2cc3ccccc3o2)s1 191800969 YTXAXOBLFSEETH-MRVPVSSYSA-N 318.358 2.454 0 50 DEAA CCOC1CC(CN[C@H](C)c2ccccn2)(N2CCOCC2)C1 193403876 QUIAFQHETDNCRK-KLHKWILBSA-N 319.449 2.002 0 50 DEAA O=C(O)c1cncnc1N1CC[C@@H](Oc2ccc(Cl)cc2)C1 649392960 NFVWPRLEIGFDRN-GFCCVEGCSA-N 319.748 2.486 0 50 DEAA O=C1CCCC[C@@H](C(=O)N(CCC(F)(F)F)CC2CC2)N1 194286496 XOXNNOKTUIHTKD-NSHDSACASA-N 306.328 2.236 0 50 DEAA Cc1ccccc1C[C@H](CNC(=O)C1[C@H]2CCC[C@H]12)C(=O)O 195551212 QECVYEBTFYPDSO-ILXRZTDVSA-N 301.386 2.401 0 50 DEAA Cc1nc(C2CC2)ccc1C(=O)N[C@H]1CCCn2c(C)nnc21 1615044248 DWUSHGLFMPLOSI-HNNXBMFYSA-N 311.389 2.432 0 50 DEAA CNS(=O)(=O)Cc1ccc(CN[C@H]2C[C@H]3CC[C@H]2C3)cc1 110703212 PIMTXHCKLRFDAA-JYJNAYRXSA-N 308.447 2.014 0 50 DEAA CNC(=O)[C@H]1CC[C@H](CNc2nc(N(C)C)nc(C)c2C)CC1 1704300210 WVIWUAYZOAVLEH-HDJSIYSDSA-N 319.453 2.124 0 50 DEAA CN(Cc1ccc2c(c1)OCCO2)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1704352298 BPTPAWAIZCIZHD-GEEKYZPCSA-N 303.402 2.439 0 50 DEAA CN(C)Cc1nnc(NC[C@H]2CCN(C3CCCCC3)C2)o1 1772710655 CXGAPVZBIZFGMW-CYBMUJFWSA-N 307.442 2.198 0 50 DEAA CCn1cc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)c(C)n1 19840504 DUIOVZJXLWZXHZ-SFHVURJKSA-N 320.481 2.023 0 50 DEAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 169619876 VNRZMUSBXJXIPM-WYUUTHIRSA-N 311.696 2.072 0 50 DEAA O[C@H]1C[C@@H]2CN(C3CCN(CCc4ccccc4)CC3)C[C@@H]2C1 1857682143 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308.432 2.015 0 50 DEAA N[C@@H]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 237942192 NUYXXDYCQKYDIR-BPLDGKMQSA-N 308.809 2.367 0 50 DEAA CSCc1cccnc1C(=O)N[C@H]1CCN2CCC[C@@H]2C1 352472728 JHTXSPZUCDMNJZ-UONOGXRCSA-N 305.447 2.301 0 50 DEAA CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C 22012666 XKYTXJUGUROLJK-ZDUSSCGKSA-N 309.362 2.391 0 50 DEAA in-vitro COCC1(C)CCN(C(=O)Cc2ccc(C(=O)O)cc2)CC1 263335224 NITKRAISHFQXJW-UHFFFAOYSA-N 305.374 2.202 0 50 DEAA O=S(=O)(Nc1c(O)cccc1F)c1ccnn1C1CCC1 901894982 CXORBMPDXMBSOQ-UHFFFAOYSA-N 311.338 2.254 0 50 DEAA Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N[C@@H]3C=CCC3)cc12 849331972 GPPGXHBDSXHGPK-SNVBAGLBSA-N 321.354 2.436 0 50 DEAA NC(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)C1(F)CCCCC1 864914229 BDDXOBQXSYIMSG-LBPRGKRZSA-N 322.384 2.235 0 50 DEAA O=C(O)C1CC(NS(=O)(=O)c2csc3ccccc23)C1 871637357 CRILZWNTMAPZKY-UHFFFAOYSA-N 311.384 2.043 0 50 DEAA COc1nsc(C(=O)NN2CCCCC2)c1Br 952992453 FBVPUAITONKNIW-UHFFFAOYSA-N 320.212 2.045 0 50 DEAA CC[C@@H]1CC[C@H](C)N1C(=O)CCc1nnc2ccc(Cl)nn12 1875367882 VWKSMOAKBGVTLR-WDEREUQCSA-N 321.812 2.500 0 50 DEAA FC(F)(F)[C@@]12C[C@@H]1CN(c1nccc(-c3cnccn3)n1)C2 885739158 AHQHOXALUZPFEY-NOZJJQNGSA-N 307.279 2.322 0 50 DEAA O=C(N[C@@]1(c2ncc[nH]2)CCOC1)c1cc(F)ccc1Cl 886096455 IBUGBTJIBBVZSW-AWEZNQCLSA-N 309.728 2.248 0 50 DEAA O=C(Cn1ncc2ccccc21)N[C@@H]1CC[C@@H](OC(F)F)C1 888090925 TVUKBPCXGRMHGO-VXGBXAGGSA-N 309.316 2.313 0 50 DEAA O=C(c1ccccn1)N1C[C@@H]2CCC[C@]2(CNc2cnccn2)C1 888103475 JJLQXOBQMGIKOC-KSSFIOAISA-N 323.400 2.226 0 50 DEAA O=C(c1cnc([C@H]2CCOC2)s1)N1CC[C@@H](O)C12CCCC2 2325767766 WVESCTAJEPOYMJ-WCQYABFASA-N 322.430 2.167 0 50 DEAA O[C@@]1(CN=c2cc[nH]c3cccnc23)CCc2ccccc2C1 2325857071 ODKQXXRNQLOZSW-IBGZPJMESA-N 305.381 2.384 0 50 DEAA O=S(=O)(NCCC1CSC1)c1c(F)cc(F)cc1F 1464854217 AJORHMISZXHMMZ-UHFFFAOYSA-N 311.350 2.135 0 50 DEAA C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 258016 AWVYGCMXXMHZHL-SNVBAGLBSA-N 312.300 2.449 0 50 DEAA CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 357491 CBWSCYBCEJLNAY-UHFFFAOYSA-N 310.419 2.456 0 50 DEAA CCOc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1 453740 UNMYOFYXVOSBLF-UHFFFAOYSA-N 310.309 2.026 0 50 DEAA Cn1cc(CN2CCC[C@@]23CCCNC3=O)c(-c2ccccc2)n1 2356144097 JFBNQVGWLROPML-LJQANCHMSA-N 324.428 2.332 0 50 DEAA NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccco2)cc1 2838680 YWZHFINHFZYSOH-UHFFFAOYSA-N 320.399 2.062 0 50 DEAA C[C@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccco1 2870778 WFROZZOMXUVVHF-CYBMUJFWSA-N 300.358 2.033 0 50 DEAA CC1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 3583271 GBPZWWOVXVOYGM-UHFFFAOYSA-N 317.433 2.194 0 50 DEAA O=C(NC[C@@H]1C[C@]12CCc1ccccc12)N[C@H](CCO)C1CC1 225354059 JVXAACCTBPBAIS-KVSKMBFKSA-N 314.429 2.351 0 50 DEAA CO[C@]1(C)CCCN(C(=O)Cn2ncc3ccccc32)CC1 280082409 SMGPSORPAJLMLC-QGZVFWFLSA-N 301.390 2.454 0 50 DEAA CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10363241 RFXYYXUNDJRFIG-UHFFFAOYSA-N 304.371 2.155 0 50 DEAA CCOC(=O)Cc1c(C)c2ccc(OC(C)=O)cc2oc1=O 517143 HHPQAKWGVPCDQI-UHFFFAOYSA-N 304.298 2.132 0 50 DEAA CC[C@H](C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1)[C@H](C)O 225615856 HPJJCJUQMROBMF-VBQJREDUSA-N 320.433 2.187 0 50 DEAA CCOC(=O)c1coc(N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)n1 418887364 MWGJAEQIVAEHRB-SWLSCSKDSA-N 319.405 2.304 0 50 DEAA C[C@@H](NC(=O)CSC12CC3CC(CC(C3)C1)C2)C(=O)N(C)C 67895856 UOMHDXXUCYRMAA-SFCYXTAJSA-N 324.490 2.281 0 50 DEAA CCn1cncc1CNCC(=O)Nc1ccc(Cl)c(OC)c1 65459706 WNKMIWXPBMPGOS-UHFFFAOYSA-N 322.796 2.293 0 50 DEAA CCc1cccc(NC(=O)CN2CCOC3(CCOCC3)C2)c1 135644589 LLZDKEBVUKHJTJ-UHFFFAOYSA-N 318.417 2.069 0 50 DEAA COC(CNC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)OC 409444190 RZMJHSWWBLDCKM-UHFFFAOYSA-N 309.753 2.079 0 50 DEAA CN(C)CCCN(C)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 20706310 XULQHNBCBQLSCG-QGZVFWFLSA-N 324.513 2.377 0 50 DEAA O=C(Nc1ccc2cc[nH]c2c1)c1cnc2sccn2c1=O 61719998 ARMICDQNBDJXOX-UHFFFAOYSA-N 310.338 2.490 0 50 DEAA CC(C)CN1CCO[C@H](CCNC(=O)c2ccccc2C#N)C1 67689192 VAFXLOCKKGSUOT-MRXNPFEDSA-N 315.417 2.035 0 50 DEAA Cc1ccc(C(=O)N2CCC[C@H](N3CCCC3=O)C2)cc1F 111058924 PFJUTAUGFBDFBD-AWEZNQCLSA-N 304.365 2.361 0 50 DEAA CCc1ccc(-n2c(Cc3nc(C)cs3)n[nH]c2=O)cc1 65499746 KCEURFRYSFLRED-UHFFFAOYSA-N 300.387 2.479 0 50 DEAA COC(=O)c1cccc(C(=O)Nc2ccccc2-n2ccnn2)c1 123971263 OPZPTHXJZJSEBX-UHFFFAOYSA-N 322.324 2.306 0 50 DEAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1 281112340 CLUYEJNQLABSAH-GXFFZTMASA-N 321.364 2.413 0 50 DEAA COc1cc(C(=O)NCc2csc(=O)[nH]2)ccc1OC(C)C 124377482 JDFGLMHMNBLTLF-UHFFFAOYSA-N 322.386 2.162 0 50 DEAA CCc1c(C)nc(C)nc1N1CCC(N2CCC(O)CC2)CC1 77390983 CJPUNKJXBQLBDB-UHFFFAOYSA-N 318.465 2.081 0 50 DEAA Oc1c(-n2cncn2)cnn1-c1ccc(OC(F)(F)F)cc1 5763697 IJQVCCDSOZWNEQ-UHFFFAOYSA-N 311.223 2.057 0 50 DEAA COc1ccc([C@@H]2Nc3ccccc3-c3nnnn32)cc1OC 6659155 MJXJUEUCCYMYFE-OAHLLOKOSA-N 309.329 2.330 0 50 DEAA O=C(Nc1ccccc1OCC1CC1)N[C@@H]1CCCCNC1=O 172565715 PBCRKCWXOBLWKF-CQSZACIVSA-N 317.389 2.266 0 50 DEAA O=C1CCCC[C@H]1[C@@H]1CCCCCN1C(=O)N1CCOCC1 127225107 RRNDFYGNODNTQF-GJZGRUSLSA-N 308.422 2.443 0 50 DEAA O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)c1ccc2cc[nH]c2c1 363665547 NVVTXHZRWZGSJI-MRXNPFEDSA-N 323.327 2.452 0 50 DEAA O=C(CC1=CCCC1)N[C@@H]1CCOC[C@H]1OCc1cscn1 218866397 KWYNKLZYQVCUNT-HUUCEWRRSA-N 322.430 2.434 0 50 DEAA COc1cnc2ccccc2c1C(=O)N1CC[C@](O)(C2CC2)C1 367120717 HSWNVEUJFBPBNJ-GOSISDBHSA-N 312.369 2.230 0 50 DEAA COCCc1noc([C@H]2CCCCN2Cc2cnc(C)[nH]2)n1 216325107 WSJKKALUXMCTCG-CYBMUJFWSA-N 305.382 2.017 0 50 DEAA Cc1ocnc1C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 128372449 BLFPJKMNOMHOGO-LBPRGKRZSA-N 315.377 2.278 0 50 DEAA Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCCN1C1CCCCC1 370697730 MAIKQCQHJGZNPG-MRXNPFEDSA-N 318.465 2.482 0 50 DEAA Cn1cc(Cl)c(CNC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)n1 334085831 MELJHSUGPLCEMC-RISCZKNCSA-N 308.813 2.404 0 50 DEAA CCN(C(=O)c1cc2ccc(F)cc2nc1C)[C@@H]1CCNC1=O 283116478 YAKCZVDFIJPTJU-OAHLLOKOSA-N 315.348 2.033 0 50 DEAA Cc1cc(C)n(-c2ccc(CN3CC[C@H](CC(N)=O)C3)cc2)n1 377495400 QTKWDZWFYGQPII-MRXNPFEDSA-N 312.417 2.186 0 50 DEAA Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H]1c1ccccc1 284960683 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CC(C)(C)c1noc(CNC(=O)[C@@H]2COc3ccccc3C2)n1 95499293 BOQRQIXBNYAKRA-LBPRGKRZSA-N 315.373 2.235 0 50 DEAA O=C(c1ccccc1Cl)N1CCC(NC2(CO)CCC2)CC1 182428134 QAVBTIXYTAMOMJ-UHFFFAOYSA-N 322.836 2.449 0 50 DEAA CNC(=O)NC(=O)[C@H](C)Nc1ccc(Cl)c(OC(F)F)c1 182715806 SRLGXRSCMSAZBO-LURJTMIESA-N 321.711 2.197 0 50 DEAA CC(C)(C)OC(=O)N1CCCn2nc(CCC(=O)O)cc2C1 261361104 JNINZWXOEZNOQJ-UHFFFAOYSA-N 309.366 2.041 0 50 DEAA COc1ccc([C@H](NC(=O)NC2(CO)CCC2)C2CC2)cc1 185280718 GUDXPBKEHLSUCA-OAHLLOKOSA-N 304.390 2.361 0 50 DEAA CC(C)(C)C(=O)C(=O)NCc1nccn1CCc1ccccc1 267685333 MZVGMQSKBCXPQC-UHFFFAOYSA-N 313.401 2.357 0 50 DEAA CCc1nccn1CCC(=O)N[C@@H](C)c1cn2ccsc2n1 299794890 NJFBWRCZSWRFOL-NSHDSACASA-N 317.418 2.422 0 50 DEAA COCCn1cnnc1CN(C)C(=O)Nc1ccc(C)cc1C 299782490 VVAJDBAFABQTAT-UHFFFAOYSA-N 317.393 2.205 0 50 DEAA O=C(CN1CC(Oc2ccc(F)cc2)C1)N1CCCCCC1 299783090 HCJFWKIWQUENPF-UHFFFAOYSA-N 306.381 2.291 0 50 DEAA CC[C@@]1(C(N)=O)CCCN(C(=O)c2ccc(C)n2C(F)F)C1 299771941 XJKFXHNICRDHDY-OAHLLOKOSA-N 313.348 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COC(=O)c1cc(Cl)cc(Cl)c1NCc1nc(O)n[nH]1 342507560 IPMARGICYJGWMX-UHFFFAOYSA-N 317.132 2.216 0 50 DEAA CC(C)Cc1cc(CNC(=O)[C@H]2COc3ccccc3O2)no1 67879676 VQRDANMQFHBUFY-MRXNPFEDSA-N 316.357 2.329 0 50 DEAA CCNc1nc(C)cc(NCCNC(=O)c2ccccc2C)n1 67621730 JRLVBSDLJICXKF-UHFFFAOYSA-N 313.405 2.367 0 50 DEAA Cc1cccc(OCCN2CCC(N3CCOCC3)CC2)c1 20998419 HKHVVVWQXJIQJA-UHFFFAOYSA-N 304.434 2.170 0 50 DEAA COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2cccc(F)c2)O1 248698692 MDGYNSOORDZAFW-KKUMJFAQSA-N 321.348 2.210 0 50 DEAA Cc1cccc(-c2nsc(N3CC(N[C@H]4CCOC4)C3)n2)c1 1363167298 KBSWVSGIVDKGNV-ZDUSSCGKSA-N 316.430 2.081 0 50 DEAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2c(O)cccc2O)C1 67946247 FOXHWNWVFXBKPL-SFHVURJKSA-N 313.353 2.140 0 50 DEAA CCNC(=O)N1CCC(N[C@H](C)COc2ccccc2)CC1 65408352 HFEJXIFFSKGNMI-CQSZACIVSA-N 305.422 2.237 0 50 DEAA Nc1nc(CCCNCc2nc(-c3ccco3)no2)cs1 65505821 ALBXBLWWZPCQAE-UHFFFAOYSA-N 305.363 2.091 0 50 DEAA CC[C@@H](NC(=O)C1CCN(C(C)=O)CC1)c1ncccc1C 67868449 NXTFGZUEQKLXBY-OAHLLOKOSA-N 303.406 2.216 0 50 DEAA CC[C@@H](c1cccnc1)N(C)C(=O)CCCN1CCCC1=O 215448709 UXGFTJCGSYVHRD-HNNXBMFYSA-N 303.406 2.394 0 50 DEAA COC(=O)C[C@H](NC(=O)NC(C)(C)C)c1ccc2c(c1)OCO2 5837895 XIHOAGJHLVVOGD-NSHDSACASA-N 322.361 2.117 0 50 DEAA Cc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)nnn1C 356698912 XKARAXHQYYCJLQ-UHFFFAOYSA-N 307.357 2.362 0 50 DEAA O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1COc2ccccc21 153219003 LVLNORAUYRRGAY-GOEBONIOSA-N 312.369 2.023 0 50 DEAA COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)=O)cn1C 122992574 WSWUQNNCWVOQMK-KBPBESRZSA-N 320.389 2.079 0 50 DEAA C[C@@H]1COCCN(C(=O)Nc2ccccc2N2CCCC2=O)C1 363499534 GPMIFDYXYUJKMA-ZDUSSCGKSA-N 317.389 2.314 0 50 DEAA CC(=O)NCC[C@H]1CCCCN1C(=O)NCc1ccccc1F 72128949 DGNIDQPPMKEJES-OAHLLOKOSA-N 321.396 2.416 0 50 DEAA O=C(CNCC1CC1)Nc1ccc(C(=O)Nc2cccnc2)cc1 262673549 PZDYVODCXVEDFF-UHFFFAOYSA-N 324.384 2.272 0 50 DEAA CCc1cc(NCCCN2CCOCC2)n2nc(C)c(C)c2n1 72428573 OGPCUMFTPPWHRC-UHFFFAOYSA-N 317.437 2.043 0 50 DEAA O=C(Cc1cccnc1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 282393964 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O=C(Nc1ccc(NC(=O)[C@H]2CCOC2)cn1)c1ccccc1 173913920 HULWWEIZZQGZPX-ZDUSSCGKSA-N 311.341 2.309 0 50 DEAA Cc1nccn1CCC(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 220693064 IACZRFYZSANWNV-RANZSIQMSA-N 317.433 2.292 0 50 DEAA Cn1nccc1[C@H]1OCC[C@@H]1NCc1ccc(-n2ccnc2)cc1 284660695 GXBBANLHUMFSTD-WMZOPIPTSA-N 323.400 2.226 0 50 DEAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)Cc1c[nH]c2ccccc12 285517783 QDRSMRFXXKGZDZ-YJBOKZPZSA-N 324.384 2.090 0 50 DEAA Cc1n[nH]c(C)c1CCCNC(=O)Cc1ccc(N(C)C)cc1 223587468 XQOUPOYXDRSFMU-UHFFFAOYSA-N 314.433 2.384 0 50 DEAA COc1ccc(-c2cnn([C@H](C)C(N)=O)c2)c2ccc(C)nc12 426487749 ZKGKTIUBJPBVPJ-LLVKDONJSA-N 310.357 2.462 0 50 DEAA Nc1cc(N2CCC[C@@H](COc3ccc(F)cc3)C2)nc(N)n1 95523992 IMAHEVFSFLAUDS-LLVKDONJSA-N 317.368 2.076 0 50 DEAA O=C1N(CCO)CCC[C@@]12CCN(Cc1cccc(Cl)c1)C2 91725620 LCJGYMNMLDIUMZ-KRWDZBQOSA-N 322.836 2.147 0 50 DEAA Cc1cc(C)c(C(=O)N(CC(=O)O)C2CCCCCC2)c(=O)[nH]1 95375859 TZPPUJFJOYWEGK-UHFFFAOYSA-N 320.389 2.241 0 50 DEAA CCN1CCC(CC(=O)NC[C@H](O)c2cccc(F)c2)CC1 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Cc1n[nH]c(C)c1CC(=O)N1CCC(O)(c2ccccc2)CC1 189792645 BKAMYDIHWFJWTA-UHFFFAOYSA-N 313.401 2.079 0 50 DEAA O[C@@H](CCc1ccccc1)Cn1nnc(-c2ccsc2)n1 193407454 DELLOPSWTSKFLP-AWEZNQCLSA-N 300.387 2.395 0 50 DEAA CC(C)c1ccc([C@@H](C)CC(=O)NCC2CS(=O)(=O)C2)cc1 585129946 CPUXMNRGKBGMFC-ZDUSSCGKSA-N 323.458 2.464 0 50 DEAA CN(C)CCN(Cc1ccco1)C(=O)c1ccc2cccnc2n1 585107109 ZJAJQBBTIAVLNN-UHFFFAOYSA-N 324.384 2.427 0 50 DEAA COc1ccc2c(c1)C[C@H](C(=O)N(C)Cc1cscn1)CO2 194299869 APGBPRMARJMLQQ-LBPRGKRZSA-N 318.398 2.361 0 50 DEAA O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CCc2nccnc2C1 661242097 KOIALXJWHRNAKU-GJZGRUSLSA-N 308.385 2.348 0 50 DEAA Cc1ccc2nc(CNC(=O)[C@@H](C(=O)O)C3CCCC3)[nH]c2c1 663042805 YLOOPLFQGATJPT-HNNXBMFYSA-N 315.373 2.379 0 50 DEAA Cc1csc(CN(C[C@H]2CCCO2)C(=O)CC2(CN)CC2)n1 1614998056 SBYYVZSXBUNSIR-CYBMUJFWSA-N 323.462 2.088 0 50 DEAA Cc1cc(-c2nc(C(=O)N(CCCO)C3CCC3)co2)ccn1 1615626455 PTRFZWZLLQUXNP-UHFFFAOYSA-N 315.373 2.422 0 50 DEAA O=C(Nc1nnn[nH]1)c1cc(Cl)cc(F)c1Br 252498566 REXNVAKLYUTFCV-UHFFFAOYSA-N 320.509 2.007 0 50 DEAA CCc1cnc(N2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)nc1 1704341982 AOCVFLVJTRRZRU-HIFRSBDPSA-N 302.378 2.029 0 50 DEAA Cc1nc[nH]c1CN(CCN(C)C)Cc1cc(C(C)(C)C)n[nH]1 1704354005 WPGHTIJDGBLJTE-UHFFFAOYSA-N 318.469 2.303 0 50 DEAA CC[C@]12C[C@H]1CN(C(=O)C1(N3CCOCC3)CCCCC1)C2 1772805485 LZEPSEBHQKSSKD-DOTOQJQBSA-N 306.450 2.280 0 50 DEAA CCCc1cnc(C)nc1N1CC(=O)N[C@@H](Cc2ccccc2)C1 1772708619 JFDCYCBBDSXTFN-KRWDZBQOSA-N 324.428 2.285 0 50 DEAA c1cc(-c2cc(N3CCOCC3)ncn2)cc(-c2cc[nH]n2)c1 19771238 YOKOFWYZSUDBOQ-UHFFFAOYSA-N 307.357 2.370 0 50 DEAA COc1cccc(CN2CCN(C(=O)c3cccnc3)CC2)c1 19773812 RWXXARRMECUNLQ-UHFFFAOYSA-N 311.385 2.048 0 50 DEAA C[C@H]1CC(=O)NC[C@@H]1C(=O)NCc1ccccc1C(F)(F)F 1857527423 HVHOSGUTDGEDRL-ONGXEEELSA-N 314.307 2.094 0 50 DEAA COc1ccc(Cl)cc1CC(=O)N1CCC[C@@H]([C@H](C)N)C1 237081116 KSPFNILRGFNGCK-NWDGAFQWSA-N 310.825 2.477 0 50 DEAA Cc1cc(CO)oc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 225489579 IGYWAHKYLAEULH-DZGCQCFKSA-N 319.332 2.168 0 50 DEAA Cc1ccc([C@H](CNC(=O)c2nn(C)cc2C)N2CCCC2)o1 411879980 UYBGKDUXNCMRKP-AWEZNQCLSA-N 316.405 2.197 0 50 DEAA Cc1n[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)c1Cl 248044376 UUUQMTKSJMOVJX-STQMWFEESA-N 322.840 2.318 0 50 DEAA CCc1noc([C@H]2C[C@H](O)CN2C(=O)CC2(C)CCCC2)n1 377881003 WMTBQIHEUIGRCM-NWDGAFQWSA-N 307.394 2.237 0 50 DEAA N[C@@H]1c2ccccc2C[C@H]1NCc1ccc(C(=O)NC2CC2)cc1 904461200 GSJBEASYRRSFBU-RTBURBONSA-N 321.424 2.293 0 50 DEAA COc1cc(O)ncc1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 930928031 MHAVZQDYCCXNFM-WCQYABFASA-N 302.305 2.221 0 50 DEAA C[C@@H]1CNc2c(Nc3ccc4nnc(C(F)F)n4n3)cnn2C1 864092826 ZWBBMJZSXXNFQG-SSDOTTSWSA-N 320.307 2.064 0 50 DEAA CCc1c(C(=O)N[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)ccn1C 952891078 VPRROKGJAFJURC-OLZOCXBDSA-N 316.405 2.420 0 50 DEAA CCc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ncoc3C)C2)o1 952890541 CELAMNQKHGXJQK-MNOVXSKESA-N 304.350 2.070 0 50 DEAA COc1ccc2c(N3CC[C@@H](C(N)=O)C3)nc(Cl)cc2c1 952993602 HFAGDWMWEYGQPD-SECBINFHSA-N 305.765 2.208 0 50 DEAA Cc1cc(COCC(=O)N2CCCOc3ccccc32)no1 1875276094 NXSYKMDPECGPSX-UHFFFAOYSA-N 302.330 2.315 0 50 DEAA CCCCN(OC)S(=O)(=O)c1cc(C)cc(C(=O)O)c1F 1776007169 VQWUUILIJHQQJX-UHFFFAOYSA-N 319.354 2.185 0 50 DEAA COc1cc(C)c2cc(C(=O)N[C@H]3CCCCNC3)[nH]c2c1 2325769194 UEVBUYRNRDJJDG-LBPRGKRZSA-N 301.390 2.357 0 50 DEAA Cc1cc2nc(N3CCc4c(O)noc4C3)c3ccccc3n2n1 2325852493 HYBTYKBLBJEJPO-UHFFFAOYSA-N 321.340 2.447 0 50 DEAA CN(C(=O)[C@@H](N)CCc1ccccn1)c1cccc2cc[nH]c12 2325860005 UFDAQSPXVTWVLI-HNNXBMFYSA-N 308.385 2.486 0 50 DEAA NCc1ccccc1NC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 904649090 SLRRXHIPZGZFSO-CZUORRHYSA-N 321.446 2.322 0 50 DEAA CC(=O)Oc1ccc2oc(=O)c3c(c2c1)CCCN3C(C)=O 318834 IASXKEKAZXEHCP-UHFFFAOYSA-N 301.298 2.017 0 50 DEAA biogenic CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OC 974810 JARBZPDXVYXTSA-CYBMUJFWSA-N 306.387 2.051 0 50 DEAA O=C(c1ccc(F)cn1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356154320 QPXRGWGRTBCZNC-INIZCTEOSA-N 300.337 2.064 0 50 DEAA COC(=O)[C@H](C)N1CCC2(CC1)OCCc1cc(OC)ccc12 2356156519 FVRXWGAABGIWCB-ZDUSSCGKSA-N 319.401 2.121 0 50 DEAA COc1ccc(CN2CCC[C@@]23CCCN(C)C3=O)cc1F 2356168608 KOUYQNDZGBGFRN-QGZVFWFLSA-N 306.381 2.421 0 50 DEAA Cc1nc2ccnn2c(N2CCN[C@H](c3ccccc3)C2)c1C 2356170840 PROYXCLMNYEOJD-INIZCTEOSA-N 307.401 2.497 0 50 DEAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)N1CCOCC1 4513106 NIHZRTVRQXFKOI-UHFFFAOYSA-N 316.361 2.011 0 50 DEAA COc1cc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)cc(OC)c1O 8553108 HDZDEQQWQJQJPK-ISTRZQFTSA-N 307.390 2.365 0 50 DEAA O=C(c1cccc(CO)c1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225489686 RAADTFNWVWBSRV-IAGOWNOFSA-N 315.344 2.266 0 50 DEAA O=C(c1cccnc1)N1CCN(CCCc2ccccc2)CC1 55009908 LZBPVBQVSMVFQV-UHFFFAOYSA-N 309.413 2.472 0 50 DEAA O=C1NC(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccco3)[C@H]12 170620724 JOZFRLCLDICRRS-YNEHKIRRSA-N 318.716 2.067 0 50 DEAA CC(=O)N(C[C@H]1CCCN1CCCn1ccnc1C)C1CC1 328621377 AJRQTISBGUWXGS-QGZVFWFLSA-N 304.438 2.057 0 50 DEAA CCOc1ccnc(N2CCC[C@H](OCc3cccnc3)C2)n1 65396125 MGQYDUCXEFNNLO-HNNXBMFYSA-N 314.389 2.456 0 50 DEAA O=C([C@H]1CCCN1)N1CCc2onc(-c3ccccc3F)c2C1 67588311 KVSXHBGLLSNKOF-CQSZACIVSA-N 315.348 2.117 0 50 DEAA Cc1ncsc1CCC(=O)N1CCO[C@@H](C(F)(F)F)C1 71747286 HAUJOMJKYYNGGI-SNVBAGLBSA-N 308.325 2.174 0 50 DEAA Cc1nc2n(n1)[C@@H](CC(=O)Nc1cc(Cl)ccc1C)C(=O)N2 31814440 AACRESHBBBAOKS-NSHDSACASA-N 319.752 2.070 0 50 DEAA Cc1cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)n[nH]1 72434338 BRJUDRFMESDHIJ-UHFFFAOYSA-N 324.428 2.033 0 50 DEAA C[C@H](N)CC(=O)NCc1cccnc1N(C)Cc1ccccc1 71315094 TVQQDTSBAKZFKD-AWEZNQCLSA-N 312.417 2.072 0 50 DEAA O=C(CC[C@H]1CCNC1)Nc1ccc(N2CCCC2=O)c(F)c1 261672819 AUGLHGHTSXRXSN-LBPRGKRZSA-N 319.380 2.281 0 50 DEAA CCOc1cc2c(cc1CNCc1cncn1C)O[C@@H](C)C2 236875227 JGAMBHGRIMHLJJ-LBPRGKRZSA-N 301.390 2.432 0 50 DEAA CCCO[C@H]1CCCN(Cc2ccc(S(C)(=O)=O)cc2)C1 215093153 AABQWRDPHAPTFT-HNNXBMFYSA-N 311.447 2.481 0 50 DEAA CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccnn2C)CCO1 180458599 HEGPFUOOBSIHLI-DZGCQCFKSA-N 308.426 2.203 0 50 DEAA Cc1ccc([C@H]2C[C@H]2C(=O)N(CC(=O)O)C2CCOCC2)s1 237664291 AUVFMVQBJUSUEB-QWHCGFSZSA-N 323.414 2.252 0 50 DEAA C[C@H](NC(=O)N1CCC[C@H]1C(=O)NC1CC1)C1CCCCC1 159005462 CMKZZOBIVPPHGO-WFASDCNBSA-N 307.438 2.408 0 50 DEAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(Cc2ccc3c(c2)CCO3)C1 284490950 GFHVEXYFRMTFSL-CABCVRRESA-N 314.389 2.010 0 50 DEAA CCN(CC(=O)O)C1CCN(C(=O)c2ccc(F)c(C)c2)CC1 263017564 ZNPPWSOWCYJXKM-UHFFFAOYSA-N 322.380 2.145 0 50 DEAA O=C(CCCn1cncn1)N1CC[C@@H](c2ccc(F)cc2)C1 223898074 IEIMLLGLBDJDSA-CQSZACIVSA-N 302.353 2.214 0 50 DEAA C[C@@H](C(=O)O)c1cccc(NC(=O)CN2CCCCCC2=O)c1 263332703 QFDCBRAPAHVONA-GFCCVEGCSA-N 318.373 2.216 0 50 DEAA COCc1ccc(C(=O)N2CCC[C@H](Cn3ccnc3C)C2)o1 82156654 KFAUOIYEDGXZNA-CQSZACIVSA-N 317.389 2.483 0 50 DEAA Cc1csc(CSc2nnc([C@H]3CCCNC3)n2C)n1 426505786 OJFPZBWWKQGVRS-JTQLQIEISA-N 309.464 2.339 0 50 DEAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1ncn(-c2ccccc2)n1 294022271 CHVIOBCQAUTZOQ-LLVKDONJSA-N 324.388 2.027 0 50 DEAA CCc1nc(C(C)C)ccc1C(=O)NC[C@@H](C)c1nncn1C 294775290 BFOASGSWQMAWRJ-GFCCVEGCSA-N 315.421 2.429 0 50 DEAA C[C@@H]1CN(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)CC(=O)N1C 337546876 WALJVCXHUOWLRS-GFCCVEGCSA-N 312.373 2.376 0 50 DEAA CCc1c(C)nn(CC(=O)N2CCC[C@](CC)(C(=O)O)C2)c1C 92045801 BHSMMKLRIZEYML-KRWDZBQOSA-N 321.421 2.166 0 50 DEAA CN(CCCc1nccn1C)C(=O)[C@@H]1COc2ccccc2C1 91846105 WQUBNBYRLABIDB-HNNXBMFYSA-N 313.401 2.062 0 50 DEAA Oc1cc(C(F)(F)F)nc(O)c1I 238661709 YPEDSMRHZDICIB-UHFFFAOYSA-N 304.993 2.116 0 50 DEAA Cc1cc(C)n(CCNc2nc(C)nc3ccsc23)c(=O)n1 92107469 XGBAABVXDGNFPU-UHFFFAOYSA-N 315.402 2.285 0 50 DEAA Cc1nc(C)c(C(=O)NCc2cc(Br)ccn2)o1 295671531 UKAFOKBDIKJUHZ-UHFFFAOYSA-N 310.151 2.379 0 50 DEAA O=C(c1cnc2ccccc2c1)N1CCO[C@@]2(CCCOC2)C1 296958204 CTVBXSKOJAPPIK-SFHVURJKSA-N 312.369 2.256 0 50 DEAA O=C(NCC1CCN(c2ccncc2)CC1)c1ccsn1 297499030 MZEXDOSZPGHLGF-UHFFFAOYSA-N 302.403 2.185 0 50 DEAA CN(C(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)C1CCCCC1 299743030 LQGCTHBBCYQUIM-KBMXLJTQSA-N 322.449 2.495 0 50 DEAA Cc1cccc([C@@H](C)NS(=O)(=O)c2ccnn2C(C)C)n1 534662718 BOPMQGHWVRPSNI-GFCCVEGCSA-N 308.407 2.207 0 50 DEAA Cc1nc(C(F)(F)F)ncc1CN1CCC(C)(C(=O)O)CC1 534588901 LYCTUCHGCPWGKF-UHFFFAOYSA-N 317.311 2.491 0 50 DEAA O=C(Nc1ccc(Cl)c2ccccc12)N[C@@H]1CNCC[C@H]1O 299794802 KJFHESGHTCZPSK-HUUCEWRRSA-N 319.792 2.338 0 50 DEAA O=C(CCCn1cccn1)NC[C@H]1CCCN2CCCC[C@@H]12 299754341 BHQWQTOOBSZEJI-CVEARBPZSA-N 304.438 2.044 0 50 DEAA biogenic O=C(NCc1noc(-c2c(F)cccc2F)n1)[C@H]1CCCCO1 299774480 JBKMURXXEWAMIL-LLVKDONJSA-N 323.299 2.200 0 50 DEAA CC(C)n1cnnc1CCNC(=O)c1ccc(-c2cc[nH]n2)cc1 584889678 GRSGVSGXXZBPAW-UHFFFAOYSA-N 324.388 2.222 0 50 DEAA c1ccc2c(c1)CN(Cc1noc([C@@H]3CCCO3)n1)CCO2 670469726 CXFSPWXCOHXUJX-AWEZNQCLSA-N 301.346 2.316 0 50 DEAA CC(C)c1nc(CN(C)C(=O)CCC2=NNC(=O)CC2)cs1 952962533 FRDSGCAZUDISMW-UHFFFAOYSA-N 322.434 2.271 0 50 DEAA CO[C@H](C(=O)N1CCc2ccccc2[C@H]1CO)c1ccccc1 185688869 KYKAJVHCGJTHBY-MSOLQXFVSA-N 311.381 2.492 0 50 DEAA Cc1cnc([C@H](C)NC(=O)c2cn(C)nc2[C@H]2CCOC2)s1 276059533 TWUYQSOEMHZACI-QWRGUYRKSA-N 320.418 2.180 0 50 DEAA C[C@@H](CN)CNC(=O)Cc1ccc(Cl)cc1Br 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C[C@@H]1[C@@H](NC(=O)N2CCN(C(=O)C3CC3)CC2)CCC[C@H]1C 252517423 HZFYKCJLJWWMGF-IPYPFGDCSA-N 307.438 2.075 0 50 DEAA CSCC[C@H](O)C(=O)N1CCC2(CC1)CNc1ccccc12 215505975 PQHFVNZYBVGUPV-HNNXBMFYSA-N 320.458 2.086 0 50 DEAA COc1ccc2cc([C@H]3CN(C(=O)CCN)CCO3)ccc2c1 71524019 JNCABKDQHDWOPA-QGZVFWFLSA-N 314.385 2.097 0 50 DEAA C[C@@H](C(=O)NCCc1ccc2c[nH]nc2c1)N1[C@H](C)CC[C@H]1C 356639960 JQNNERNMLOJVOV-MCIONIFRSA-N 314.433 2.483 0 50 DEAA CC(C)(C)OC(=O)N1CCN(c2cc(C(F)(F)F)n[nH]2)CC1 79387494 PQGFVCYQULISJE-UHFFFAOYSA-N 320.315 2.486 0 50 DEAA O=C(NC[C@@H]1CCCCS1(=O)=O)[C@@H]1C[C@H]1C1CCCCC1 332896219 OMKUQWPZANHGOS-SOUVJXGZSA-N 313.463 2.286 0 50 DEAA Cc1cccc(N2CCC(NCc3cnc4[nH]ccnc3-4)CC2)n1 368214180 DPWOMCJVNVTIDF-UHFFFAOYSA-N 322.416 2.372 0 50 DEAA O=C(O)C[C@H]1CN(C(=O)/C=C/c2cc3ccccc3o2)CCO1 238055655 SKQMOLMDALFTOI-GJBLVYBDSA-N 315.325 2.148 0 50 DEAA CCc1cc(O)nc(-c2ccc(NC[C@@H](C)CCCO)nc2)n1 450630812 UVGFDLMFQXKENT-LBPRGKRZSA-N 316.405 2.627 0 50 DEAA 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COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2)cc1 7215724 UTBAJKHMPBGPOL-UHFFFAOYSA-N 321.398 2.361 0 50 DEAA Cc1cn(C)nc1C(=O)N1CC(C)(C)O[C@](C)(C(F)(F)F)C1 412368670 VTHYFGSCOVZFPJ-ZDUSSCGKSA-N 319.327 2.301 0 50 DEAA COC[C@H]1CN(c2ncc(C)cc2Br)C[C@H](C)O1 225491609 ZMHWLHAPESVVOA-WDEREUQCSA-N 315.211 2.393 0 50 DEAA O=C(C[C@H]1CCCO1)OCc1cccnc1Br 225691204 XTWHBVFMFFAHGX-SNVBAGLBSA-N 300.152 2.456 0 50 DEAA Cn1cnc2c(c1=O)CCN(Cc1ccc(F)cc1Cl)C2 225843632 HNXJLRMBUVSZPM-UHFFFAOYSA-N 307.756 2.131 0 50 DEAA Cc1csc(C(=O)O)c1S(=O)(=O)N1CCC(C)CC1 226461848 QYQVFVBNVJXYSQ-UHFFFAOYSA-N 303.405 2.175 0 50 DEAA NC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 53691477 RYKRTZHJGZVLHX-UHFFFAOYSA-N 312.325 2.086 0 50 DEAA CC(C)OC(=O)c1ccc(Cl)c(NC(=O)[C@H]2C=CCN2)c1 63846083 SKYMZCHIHGVRNU-GFCCVEGCSA-N 308.765 2.372 0 50 DEAA CC(C)Cc1cc(C(=O)N[C@@H](C)c2cn3ncsc3n2)[nH]n1 67909105 YHXVCMWGUXNLRO-VIFPVBQESA-N 318.406 2.203 0 50 DEAA Cc1ccc(NC(=O)CN2C[C@H]3CCCCN3C[C@H]2C)cc1 230129284 OOBGSUUFOYGRKF-NVXWUHKLSA-N 301.434 2.492 0 50 DEAA C[C@@]1(C(=O)Nc2ccccc2CN2CCOCC2)CCCO1 127253560 OEAJJGRKFPDTRD-KRWDZBQOSA-N 304.390 2.026 0 50 DEAA COc1cccc(OC)c1CC(=O)N1CCC[C@@H]1C(C)(C)O 123764949 KURVVYLMSFSOKS-OAHLLOKOSA-N 307.390 2.008 0 50 DEAA CN1OC[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 5209085 PIWYEEGRCXFZGC-HZPDHXFCSA-N 303.383 2.447 0 50 DEAA Nc1c(Br)cc(CC(=O)O)cc1Br 71404320 KIYIWMWVYLKCAZ-UHFFFAOYSA-N 308.957 2.421 0 50 DEAA Cc1ccc(NC(=O)c2ccc(N3C(=O)C=CC3=O)cc2)nc1 6401183 TXUHMSJISHLVAR-UHFFFAOYSA-N 307.309 2.072 0 50 DEAA CCc1nc([C@@H](C)NC(=O)N(C)Cc2cnccn2)cs1 172289420 OPUHALZDHTXUPA-SNVBAGLBSA-N 305.407 2.398 0 50 DEAA CC(C)c1noc(CN(C)C(=O)[C@@H](C)n2cc(Cl)cn2)n1 71750392 ZTIXTSAGUJXBRE-SECBINFHSA-N 311.773 2.263 0 50 DEAA CCc1nc([C@@H]2CCCN2CC(=O)N2CCCC[C@@H]2C)no1 363632724 HTYYAGUEOCDWOQ-STQMWFEESA-N 306.410 2.170 0 50 DEAA CC(C)(C)c1cc(C(=O)N2CCSC[C@H]2CC(=O)O)no1 262527043 NUWPQDDXJVQPAF-SECBINFHSA-N 312.391 2.004 0 50 DEAA CCN(CC)[C@@H](CNC(=O)c1cc[nH]c(=O)c1)c1ccsc1 153047841 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CC[C@@H]1[C@H](C)CCN1S(=O)(=O)c1c[nH]nc1C(F)(F)F 606445463 GAIGZVVBYLIDGX-HTQZYQBOSA-N 311.329 2.238 0 50 DEAA C[C@@H]1CN(C(=O)[C@]2(C)C[C@H]3CC[C@H]2C3)CCN1c1cnccn1 1363988767 CWKUNCUMERKQOV-LDDOYCOJSA-N 314.433 2.340 0 50 DEAA CC(C)(C)OC(=O)N1CCC(NC(=O)/C=C/[C@@H]2CCOC2)CC1 493599587 UCRBJFLFFXGJQI-MUBLQREKSA-N 324.421 2.095 0 50 DEAA CSCc1ccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)o1 221313699 UBHCBFXNSKITSK-UHFFFAOYSA-N 317.370 2.242 0 50 DEAA CC(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1 195385837 SGICJPACTLIPIP-UHFFFAOYSA-N 303.387 2.493 0 50 DEAA COC(=O)c1ccsc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 139685343 DBKOQWZWFBEQSX-OINDSLJFSA-N 323.370 2.220 0 50 DEAA CC(C)C[C@@H](C(=O)N1CC2(CN(C)C(=O)O2)C1)c1ccccc1 496284844 QDNBFZBGKSDGSW-OAHLLOKOSA-N 316.401 2.479 0 50 DEAA COc1cc(Cl)ccc1C(=O)NCCN1CCCCC1=O 221267810 DBMDHCRBIUZSME-UHFFFAOYSA-N 310.781 2.091 0 50 DEAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc2ccccc2c1 225604255 DAGAISYKHRRWLQ-WCVJEAGWSA-N 309.321 2.433 0 50 DEAA COc1ccccc1CCCNC(=O)c1cc(=O)cc(C)[nH]1 426361927 KKHFODCRXOLEBT-UHFFFAOYSA-N 300.358 2.055 0 50 DEAA COc1c(CN[C@@H]2CCN3CCCC[C@@H]23)c(C(C)C)nn1C 229306725 MVSYIVHMZHCGGZ-CABCVRRESA-N 306.454 2.269 0 50 DEAA O=C(Nc1cnn(Cc2ccncc2)c1)c1cnn2c1CCCC2 179101906 BLIHIQMEAFUNHJ-UHFFFAOYSA-N 322.372 2.112 0 50 DEAA COC[C@@H]1CCCCN1C(=O)Cn1ccc2ccccc2c1=O 95503491 OZLNFZICHJGXMY-HNNXBMFYSA-N 314.385 2.029 0 50 DEAA c1ccc(-n2cc(CCn3cc([C@H]4CCOC4)nn3)cn2)cc1 91594191 OUCVNFUJOJSCHY-HNNXBMFYSA-N 309.373 2.210 0 50 DEAA CN(C)CCn1ccnc1[C@@H]1CCCN(c2ncccc2F)C1 95508604 DFNJMFDJEWFOOP-CQSZACIVSA-N 317.412 2.363 0 50 DEAA COCC1(O)CCN(C(=O)c2nsc3ccc(C)cc23)CC1 293474754 OFCFLUSKTXIHLL-UHFFFAOYSA-N 320.414 2.218 0 50 DEAA Cc1c[nH]c(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)n1 91621303 KNLTXXFMVIOPNZ-IAGOWNOFSA-N 324.428 2.455 0 50 DEAA Cc1nc(CCN2CCCN(C(=O)c3ccoc3)CC2)cs1 244884230 YHWWTWPHFYUBOB-UHFFFAOYSA-N 319.430 2.435 0 50 DEAA O=C(CC(c1ccccc1)c1ccccc1)NC[C@@]1(O)CCNC1 244695573 JOYGKQVEWOAABL-HXUWFJFHSA-N 324.424 2.049 0 50 DEAA COCc1noc(CN(C)[C@H]2CCCN(c3ccccc3)C2)n1 182396622 DFBGZHKNBSWDIR-HNNXBMFYSA-N 316.405 2.317 0 50 DEAA CC1(C)CCc2cc(CC(=O)NCCn3ccnc3)ccc2O1 604419487 FKWCGZBOLMFDHD-UHFFFAOYSA-N 313.401 2.346 0 50 DEAA COc1nc(C(=O)N2CCO[C@](C)(c3ccccc3)C2)co1 626097905 CUFWRPYUEWVLAW-INIZCTEOSA-N 302.330 2.071 0 50 DEAA Cc1nc([C@@H](C)N(C)C(=O)NCC(=O)N2CCCC2)c(C)s1 534638480 PLUCNEKBBVFIBR-SNVBAGLBSA-N 324.450 2.085 0 50 DEAA O=C1NC[C@@H](NCc2ccco2)n2nc(-c3cccs3)cc21 263619300 YAQSQQPXKQDFPL-AWEZNQCLSA-N 314.370 2.236 0 50 DEAA O=C(NC1(C(=O)O)CCCC1)c1ccc(CN2CCCC2)o1 299792054 DNLJVTSVZMNWHA-UHFFFAOYSA-N 306.362 2.003 0 50 DEAA Cc1ccc(N2CCC(NCc3nc(O)n[nH]3)CC2)cc1Cl 825186651 LAIWBTWLLALPSD-UHFFFAOYSA-N 321.812 2.231 0 50 DEAA CC(C)c1noc([C@H](C)NC(=O)c2c3c(nn2C)CCCC3)n1 822285036 JKNMJRKTCYQLRW-JTQLQIEISA-N 317.393 2.296 0 50 DEAA Cc1[nH]nc(CCC(=O)NCc2ccccc2-n2ccnc2)c1C 827822416 JMAOIHUJOGFBOY-UHFFFAOYSA-N 323.400 2.461 0 50 DEAA O=C(NCCc1nc2ccccc2o1)c1n[nH]c2c1CCCC2 584891916 FIJBFOUEWSYOQP-UHFFFAOYSA-N 310.357 2.402 0 50 DEAA CCOC(=O)N1CC[C@@H](NCc2ccc(-c3ncon3)cc2)C1 670447544 ZLDXUQGXPHYKLN-CQSZACIVSA-N 316.361 2.057 0 50 DEAA CCc1cc(C[C@@H]2CC[C@H](CN3CCSCC3)O2)ncn1 952854496 LYIIWAHZICRUPW-JKSUJKDBSA-N 307.463 2.178 0 50 DEAA CCS(=O)(=O)c1ccccc1CC(=O)Nc1cc(C)ns1 896003222 FXFIFTULGLTXOP-UHFFFAOYSA-N 324.427 2.426 0 50 DEAA CC1(C)CN(CCNc2ncnc3c(F)cccc23)CCO1 302896507 PECPZGVMSIBSDL-UHFFFAOYSA-N 304.369 2.292 0 50 DEAA CON1CCC(CC(=O)N2CCOC3(CCCCC3)C2)CC1 408522654 LFTQGUXFJAAEHA-UHFFFAOYSA-N 310.438 2.212 0 50 DEAA C[C@H]1CN(C(=O)C2CCN(C[C@H]3CCC=CO3)CC2)C[C@@H](C)O1 221935543 NTIDHYKCFCTRII-HLLBOEOZSA-N 322.449 2.027 0 50 DEAA Cn1cc(-c2cc(CN3CCc4ccccc4[C@@H]3CO)on2)cn1 185038357 BMWNSNLLQTUMAZ-SFHVURJKSA-N 324.384 2.167 0 50 DEAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc2nccn12 275685395 WQTNNCQLAMHIJG-HOCLYGCPSA-N 311.389 2.171 0 50 DEAA C[C@@H]1C[C@@H](O)CCN1CC(=O)Nc1ccccc1OC(F)F 170090292 HCAJKLMXUGIKRH-MNOVXSKESA-N 314.332 2.072 0 50 DEAA CC(=O)N1CCC(NC(=O)CSCc2ccc(C)cc2)CC1 170121603 RCZOYQYVSGUZMA-UHFFFAOYSA-N 320.458 2.355 0 50 DEAA CC[C@@H](C)[C@H](NC(=O)c1ccnc(C(=O)O)c1)C(F)(F)F 630302325 ZWNUVYKSEUGDHB-XCBNKYQSSA-N 304.268 2.487 0 50 DEAA O=C(Nc1cncnc1)c1nnn(-c2ccccc2)c1C1CC1 170596825 XWRUZYMJSKWTGR-UHFFFAOYSA-N 306.329 2.187 0 50 DEAA CCn1cc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c2ccccc21 279563891 QJNOHSZLBFWESA-SFHVURJKSA-N 311.385 2.013 0 50 DEAA Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)O 704306594 KYTVISSNWZUDKE-LLVKDONJSA-N 309.366 2.462 0 50 DEAA COCc1cccc(C(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)c1 583619765 DUEZXARQDFEGBN-CHWSQXEVSA-N 316.323 2.327 0 50 DEAA C/C(=C\C(=O)NCc1nnc(S)n1C)c1ccc(F)cc1F 584907851 JMPJNHGKRKREAI-VMPITWQZSA-N 324.356 2.102 0 50 DEAA CC(C)[C@@]1(C)C[C@H]1NC(=O)N1CCc2nnc(N(C)C)cc2C1 656375899 PNMVRLABUHNOOF-RHSMWYFYSA-N 317.437 2.045 0 50 DEAA COc1cccc(CN(C)C(=O)[C@@H]2CCCN[C@@H]2C2CC2)c1 1615044579 MDCVDJPOPHKWIM-IAGOWNOFSA-N 302.418 2.432 0 50 DEAA CC(C)(c1noc(C2(c3ccccc3)CC2)n1)S(C)(=O)=O 1616036426 MIRCFTRZBYOCQX-UHFFFAOYSA-N 306.387 2.429 0 50 DEAA Cc1ccc(C(=O)O)c(NC[C@H]2CC(=O)N(C3CCCC3)C2)n1 1506399046 AAMYCKXIEYTVFW-GFCCVEGCSA-N 317.389 2.291 0 50 DEAA CN(CC(=O)NC[C@H]1CCCO1)Cc1cc2cc(F)ccc2[nH]1 1529180496 JSVWHQKVJBYUQQ-OAHLLOKOSA-N 319.380 2.034 0 50 DEAA CCc1ccccc1OCCN(C)C[C@H]1CCC(=O)N(C)C1 1800414662 VQMXUFVCUXGHOX-OAHLLOKOSA-N 304.434 2.428 0 50 DEAA CN1CCC[C@H](c2nc(-c3ccco3)n(-c3cnn(C)c3)n2)C1 1772814402 XBHIHTZIMYAYTG-LBPRGKRZSA-N 312.377 2.070 0 50 DEAA O=C(CCN1C(=O)CCC1=O)Nc1ccc(Cl)cc1Cl 11637698 UEPFNMUIDKEMFZ-UHFFFAOYSA-N 315.156 2.471 0 50 DEAA Cc1ccn(CC(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)n1 12075687 KGSCGNFNMPUAFS-QGZVFWFLSA-N 318.465 2.352 0 50 DEAA CN1C[C@@H]2C[C@@H](c3cccn3-c3ccccn3)N3CCC[C@@]23C1=O 12305969 OAFQOAQWHGYQKY-QOKNQOGYSA-N 322.412 2.240 0 50 DEAA COCCC(=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 12578968 HJXJUBFECWXBMO-CQSZACIVSA-N 312.373 2.069 0 50 DEAA Cc1ccc2ncnc(N3CCN[C@@H](c4ccccc4)C3)c2n1 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COc1cccc(C)c1NC(=O)N1CCCC[C@H]1CC(N)=O 299759028 MVBVTDAIDNNVQN-LBPRGKRZSA-N 305.378 2.265 0 50 DEAA O=C(N[C@@H]1CCCN(C2CCCCC2)C1)c1cccc(O)n1 299776682 KJUPEZRNQWXLEA-CYBMUJFWSA-N 303.406 2.314 0 50 DEAA COCc1nc(CN2CCCC2)n(Cc2ccc(F)cc2)n1 670456430 DCIYBDQQGQSPQI-UHFFFAOYSA-N 304.369 2.208 0 50 DEAA Cc1c(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)ccn1C 1336536097 JFUPHHJQDJNTBL-KRWDZBQOSA-N 321.384 2.240 0 50 DEAA CCc1ncnc(N2CCC[C@@H](CNC(=O)C3CCC3)C2)c1F 952975736 ZVGAABCHRHSTFG-LBPRGKRZSA-N 320.412 2.311 0 50 DEAA C[C@@H](NC(=O)c1cc(-c2cccs2)[nH]n1)c1ccn(C)n1 1468876805 CMSMIZGLULQCMA-SECBINFHSA-N 301.375 2.363 0 50 DEAA C[C@H](N)[C@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 269306078 ZBWIBEMOVINKHP-PGUXBMHVSA-N 308.809 2.229 0 50 DEAA C[C@H]1CN(C(=O)Nc2nc(C3CCC3)cs2)C[C@H](CO)O1 408426020 QPVJIWWSKPRYHR-GXSJLCMTSA-N 311.407 2.024 0 50 DEAA C[C@H](NC(=O)c1ccn([C@@H]2CCCNC2)n1)c1cccs1 275756268 WPLMTZMUNPQIRU-NWDGAFQWSA-N 304.419 2.360 0 50 DEAA Cc1nc(O)c2c(n1)CN(C(=O)C[C@H]1CCO[C@H](C(C)C)C1)C2 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318.465 2.069 0 50 DEAA COc1cccc2c1C(=O)O[C@H]2S(=O)(=O)c1ccccc1 2556836 BNOAFLKWYXXZHU-HNNXBMFYSA-N 304.323 2.338 0 50 DEAA in-vitro Cn1cc(Oc2ccccc2C(=O)N[C@H]2CCCOC2)cn1 225751931 KOYMWDGQMHXACS-LBPRGKRZSA-N 301.346 2.121 0 50 DEAA CC(C)(C)c1noc(CCCC(=O)N2CCC(C(=O)O)CC2)n1 236661792 IAHUNBGXBICQBK-UHFFFAOYSA-N 323.393 2.013 0 50 DEAA CCO[C@H]1C[C@H](NC(=O)c2cn(C(C)C)cn2)C12CCOCC2 239672762 BVDCFNSCYHOTOM-GJZGRUSLSA-N 321.421 2.168 0 50 DEAA CC(C)n1cnc(S(=O)(=O)Nc2ccccc2CN(C)C)c1 585139574 MQPJHDBOILOADU-UHFFFAOYSA-N 322.434 2.326 0 50 DEAA c1coc([C@@H](CN[C@@H]2[C@H]3OC[C@H]4C[C@@H]2C[C@@H]43)N2CCCC2)c1 863982414 IWCMSIWCVIYOCA-KJFNJWSJSA-N 302.418 2.430 0 50 DEAA COc1ccc(Cc2noc(C3CCN(OC)CC3)n2)cc1 864091168 OCAYOVIPLIDFHL-UHFFFAOYSA-N 303.362 2.410 0 50 DEAA COC(=O)COc1c(C)cc(CNc2cncnc2)cc1C 871002112 LUIXKNCWIAUEEP-UHFFFAOYSA-N 301.346 2.257 0 50 DEAA C=CC(=O)N(Cc1cc2ccccc2o1)C[C@H]1CCN(C)C1=O 1875388880 UKJUSDBBZTWYNM-CQSZACIVSA-N 312.369 2.426 0 50 DEAA 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Cc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 2886589 JUBRGJDKAYWLHX-UHFFFAOYSA-N 305.359 2.286 0 50 DEAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCC(C(=O)O)CC1)CC2=O 4228223 YNEJRSNLPOMFNN-SJORKVTESA-N 307.390 2.095 0 50 DEAA CN(C(=O)c1c2n(c(=O)n1C)CCCC2)c1c(F)cccc1F 460039331 XJPLIXCYLRMXSU-UHFFFAOYSA-N 321.327 2.078 0 50 DEAA COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1CCO[C@H]1O2 402721 WWSYXEZEXMQWHT-RBHXEPJQSA-N 314.293 2.153 0 50 DEAA endogenous,in-man Cc1cc([C@@H](C)NC(=O)N2CC(=O)N(C3CC3)C2)c(C)s1 280134869 QOQBVPZMEVXKJY-SNVBAGLBSA-N 307.419 2.400 0 50 DEAA COc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1 54991942 HSGKSNZNWUHSIV-UHFFFAOYSA-N 311.385 2.048 0 50 DEAA COc1cccc(C(C)(C)CNC(=O)N2CCCC[C@@H]2CN)c1 417929871 JGCMJGPGFNTAQT-OAHLLOKOSA-N 319.449 2.496 0 50 DEAA Cc1ccc(OCCOCCN2CCN(C)CC2)c(Cl)c1 22937513 DZJMJYJEADBLNQ-UHFFFAOYSA-N 312.841 2.291 0 50 DEAA O=C(NC[C@@H](c1cccs1)N1CCOCC1)[C@@H]1[C@H]2CCC[C@H]21 248368984 VUDGRFMPGJMRME-KNCOVGOOSA-N 320.458 2.284 0 50 DEAA Cc1nsc(NC(=O)NC[C@H](c2ccc(C)o2)N(C)C)n1 63847289 RHPNBLKPXCFVJW-SNVBAGLBSA-N 309.395 2.172 0 50 DEAA CCN(CCN1CCCC1)C(=O)[C@H]1CC(=O)c2ccccc21 67724285 DDACHXHBJSIENZ-INIZCTEOSA-N 300.402 2.301 0 50 DEAA COc1ccc(/C=C/CN2CCO[C@@H](CCN(C)C)C2)cc1 12386559 QRJJEVHMJHJLJZ-WRFKIARRSA-N 304.434 2.361 0 50 DEAA COCc1ccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)o1 39557657 WGSNNVSSUZZIRU-MRXNPFEDSA-N 322.449 2.237 0 50 DEAA CNC[C@H]1CCCN1C(=O)c1cc(F)cc(Br)c1 122577610 FUNCCQWGUGTOGB-GFCCVEGCSA-N 315.186 2.412 0 50 DEAA COCC1(CN[C@@H]2CCC[C@H](c3ccnn3C)C2)CCOCC1 425950391 KDJBUIUMHQXZAH-JKSUJKDBSA-N 321.465 2.479 0 50 DEAA CC(C)N(C(=O)[C@H]1CCOC1)c1ccc(CC(=O)N(C)C)cc1 253426764 IRMLHWGVEKOUOB-HNNXBMFYSA-N 318.417 2.095 0 50 DEAA Cc1cccc(NC(=O)N2CCOC[C@@H](CN(C)C)C2)c1C 72141662 VKMYPZYJDGSDAE-HNNXBMFYSA-N 305.422 2.345 0 50 DEAA CC1(C)CC[C@@H](CN2CCCN(C(=O)c3ccc[nH]3)CC2)O1 364348686 UMAPPGZWINHNDD-AWEZNQCLSA-N 305.422 2.120 0 50 DEAA Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc(C(=O)O)n1 439692650 KHAFNBVPGMJZAA-GFCCVEGCSA-N 312.325 2.342 0 50 DEAA CN[C@@H](C)Cc1noc(-c2sc(-c3cnn(C)c3)nc2C)n1 261636634 CZLFUAMHPITVJI-QMMMGPOBSA-N 318.406 2.052 0 50 DEAA Cc1nn(C)cc1NC(=O)CN1CCCC[C@@H]1c1ccccn1 72154201 PZJVUZNQCLKRMH-MRXNPFEDSA-N 313.405 2.289 0 50 DEAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[C@H]1C(=O)O 262743700 AHGWFLZUSXYQMI-AWEZNQCLSA-N 311.341 2.141 0 50 DEAA COc1ccc(CN2CCCN3CCC[C@H]3C2)cc1C(=O)O 215949507 CNLAAOGQRWBQQI-AWEZNQCLSA-N 304.390 2.064 0 50 DEAA O=C(c1cccc(-n2cccc2)c1)N1CC(F)(F)C[C@@H]1CO 372508952 ULBGYQJKMDJHKV-CQSZACIVSA-N 306.312 2.319 0 50 DEAA O=C(Cn1cn[nH]c1=O)Nc1ccc(SC2CCCC2)cc1 127476197 KRYZNLCNTUBPOB-UHFFFAOYSA-N 318.402 2.245 0 50 DEAA CCc1nc([C@H]2CCCCN2C(=O)c2cnc(O)cc2C)no1 378117046 XBDMVKKOBFCZKL-GFCCVEGCSA-N 316.361 2.408 0 50 DEAA Cn1ncc2c(N3CC4(CCC4)[C@H]3C3CCOCC3)ncnc21 333515896 VFEYZOWPMGRECE-CQSZACIVSA-N 313.405 2.149 0 50 DEAA CCc1nc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cs1 333607011 XMEJSVNOVHDXBM-NUZBWSBOSA-N 302.399 2.403 0 50 DEAA CN1CCOc2ccc(NC(=O)c3[nH]nc4c3CCCC4)cc21 174701722 OELFFVUFXHYPMT-UHFFFAOYSA-N 312.373 2.369 0 50 DEAA CCO[C@H]1C[C@](O)(CNC(=O)c2cc[nH]c2C(C)C)C1(C)C 286503167 NPMNQCQFQGOPAH-GUYCJALGSA-N 308.422 2.434 0 50 DEAA Cc1[nH]nc(C(=O)N(C)Cc2nc(CC(C)C)no2)c1Cl 426387807 FUOLUWOTDWLYDJ-UHFFFAOYSA-N 311.773 2.225 0 50 DEAA Cc1cc(C(=O)N2CCCN(c3ncccn3)CC2)c(C)o1 220657814 GMSUJNDHKCJRMW-UHFFFAOYSA-N 300.362 2.039 0 50 DEAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc2[nH]nnc2c1 177842377 AQPYLDGMVXQVFJ-VFZGTOFNSA-N 310.313 2.125 0 50 DEAA Cc1ccc2[nH]c(CCC(=O)N3CCCC[C@@H](N)C3)nc2c1C 82138626 OLMLKWJADZPVIU-CQSZACIVSA-N 314.433 2.452 0 50 DEAA Cc1nn(C)c2nc(NCc3ccc(C(=O)N(C)C)o3)sc12 96166374 BGQJFOWUPOTIOC-UHFFFAOYSA-N 319.390 2.245 0 50 DEAA COCCN1CCC[C@@]2(CCN(c3ccc(Cl)cn3)C2)C1=O 95368305 NFTYYJTYCVWURE-INIZCTEOSA-N 323.824 2.200 0 50 DEAA Cc1ccc(OCC(N)=O)c(-c2cccc(C(=O)NC3CC3)c2)c1 96163367 QXVGGQOPSYYVAX-UHFFFAOYSA-N 324.380 2.418 0 50 DEAA Cc1c(C(=O)N2CCO[C@@H](C(=O)O)C2)oc2ccc(Cl)cc12 237759959 NUQJUISHMRHOLP-GFCCVEGCSA-N 323.732 2.320 0 50 DEAA Cn1ncc(CCCNC(=O)c2csc3ccccc23)n1 293819176 FMZMRALVBFBYOX-UHFFFAOYSA-N 300.387 2.392 0 50 DEAA CNc1cc(C(=O)N2CC[C@@](O)(C3CCC3)[C@H](C)C2)ccn1 91350487 GKTXUQLJZPKHCJ-PXAZEXFGSA-N 303.406 2.137 0 50 DEAA Cc1cnc(CNC(=O)CC[C@@H](C)N2CCCC2)c(C)c1O 244633100 FWNJWBCYOGJXET-CYBMUJFWSA-N 305.422 2.285 0 50 DEAA CNc1ncccc1C(=O)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244715876 LDWJHDXYRYIIMU-UHIISALHSA-N 317.414 2.427 0 50 DEAA CCC[C@H](OC)C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 294831896 AQCBIYWSQVPXSK-LBPRGKRZSA-N 306.341 2.288 0 50 DEAA CC[C@@H](C(=O)O)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 242390283 AINBQGIQUCMMGT-JTQLQIEISA-N 309.746 2.108 0 50 DEAA CCCc1nc(C)cc(N[C@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)n1 243914932 BKWGRVGMXYXFBM-JDFRZJQESA-N 315.421 2.395 0 50 DEAA CC(C)[C@H](NC(=O)c1nn(C)c2c1CCCC2)c1nccn1C 534667872 USGQBMKTXOYQIW-AWEZNQCLSA-N 315.421 2.160 0 50 DEAA CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1cc(C)nc2onc(C)c12 184812895 XEUGXDSNUSWGAD-UWVGGRQHSA-N 319.361 2.157 0 50 DEAA COCC1(CNC(=O)NC[C@@H](O)c2ccccc2)CCCC1 534661743 PJXKSHBNAVYDFD-OAHLLOKOSA-N 306.406 2.226 0 50 DEAA COc1ccccc1NC(=O)c1cc(CN)cc(NC(C)=O)c1 299777374 NRZDMJKHEMFCSH-UHFFFAOYSA-N 313.357 2.365 0 50 DEAA COCc1cccc(C(=O)N[C@H](c2ncnn2C)C(C)C)c1 299769843 ROMZBOALGSSOCD-AWEZNQCLSA-N 302.378 2.089 0 50 DEAA CCc1nn(C)c2c(=O)n([C@@H](C)Cc3cccc(C)n3)cnc12 584888305 VFECRFIOFVQSME-LBPRGKRZSA-N 311.389 2.200 0 50 DEAA Cn1ccc2c(-c3n[nH]c(CCN4CCCC4=O)n3)cccc21 670467768 VGGKUKUXQXKDFV-UHFFFAOYSA-N 309.373 2.128 0 50 DEAA CO[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2F)C1 952869369 QUNMYRWNYMWVGY-LBPRGKRZSA-N 321.801 2.420 0 50 DEAA C[C@H]1CN(c2ccc(C(F)(F)F)cc2C(N)=O)CCCO1 408518504 KYNPZEQCCXXDKF-VIFPVBQESA-N 302.296 2.420 0 50 DEAA FC(F)(F)c1ccc(NCCOc2cncc(Cl)c2)nn1 408523180 HTEDNBSVPKLPLI-UHFFFAOYSA-N 318.686 3.035 0 50 DEAA O=C(O)C1CN(C(=O)CCc2nc3cc(Cl)ccc3s2)C1 1594945392 QSGVPBSHDVOHAD-UHFFFAOYSA-N 324.789 2.425 0 50 DEAA CCS(=O)(=O)c1ccccc1N1CC[C@@H]2OCCC[C@@H]2C1 170604515 RGWGVEWDPCHMAG-HIFRSBDPSA-N 309.431 2.486 0 50 DEAA CNS(=O)(=O)CCC[S@](=O)[C@@H](C)c1cccc(Cl)c1 170610922 OCFNNXXVZYZBDK-YPMLDQLKSA-N 323.867 2.089 0 50 DEAA CN(C1CC(C)(C)C1)S(=O)(=O)c1ccc2nc(O)[nH]c2c1 668272195 RDGZOVWJTIAGDG-UHFFFAOYSA-N 309.391 2.078 0 50 DEAA CCn1nc(C)c(C(=O)N2CC[C@@H](c3nc(C)no3)C2)c1Cl 583621261 FNVFCEPJPRDUFE-SNVBAGLBSA-N 323.784 2.186 0 50 DEAA c1ccc(CN2CCC[C@@H]2c2nc(Cn3ccnn3)no2)cc1 585120361 JONODQPPMIDPQR-CQSZACIVSA-N 310.361 2.047 0 50 DEAA COc1nc(C)cc(N2CCC(OC[C@H]3CCCCO3)CC2)n1 679633530 DMIOFTFQADONFC-OAHLLOKOSA-N 321.421 2.348 0 50 DEAA Cc1nnsc1C(=O)N1CCO[C@]2(CCc3ccccc32)C1 190578142 SMYWBXHPRXMCGY-MRXNPFEDSA-N 315.398 2.161 0 50 DEAA Cc1ccc(CS(=O)(=O)NC[C@]2(C)CCCO2)c(F)c1 192772440 HUAOCAHECUBFQV-AWEZNQCLSA-N 301.383 2.123 0 50 DEAA CCn1nc(C)cc1C(=O)N1CC[C@H](C(=O)O)[C@H]2CCCC[C@H]21 659193174 ITWYPJZTXPSSTQ-HZSPNIEDSA-N 319.405 2.317 0 50 DEAA Cc1ccsc1-c1noc([C@@H]2CCCN2S(C)(=O)=O)n1 1616039338 XMTIJSDRJHKPBE-VIFPVBQESA-N 313.404 2.203 0 50 DEAA O=C(NC[C@@H]1CCCN1CC(F)F)Nc1ccc2nccn2c1 1650055048 XFDFHSVIGNBYDT-LBPRGKRZSA-N 323.347 2.185 0 50 DEAA CCc1c(C)noc1NC(=O)c1ccc(S(C)(=O)=O)cc1 1506407709 UDBFPVQMJGJJKO-UHFFFAOYSA-N 308.359 2.201 0 50 DEAA Cc1cc(C(=O)N(C)Cc2cc(-c3ccncc3)no2)c(O)cn1 1506416251 VNEZTLPCDNXEKV-UHFFFAOYSA-N 324.340 2.418 0 50 DEAA Cc1c(F)cccc1CN1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529181229 QGXGETVOHJOSPN-SJLPKXTDSA-N 304.409 2.429 0 50 DEAA O=C(O)[C@H]1CN(C2CSCCSC2)C[C@@H]1c1ccncc1 211972437 LFGQPRJMIFSWJV-KGLIPLIRSA-N 324.471 2.030 0 50 DEAA CCN(CC)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O 11933256 DKHVWCAVFXMYSP-QGZVFWFLSA-N 308.397 2.021 0 50 DEAA Cc1cccc(CS(=O)(=O)NCCCN2CCCCC2)c1 13673413 FOYGJUDSRUYWSO-UHFFFAOYSA-N 310.463 2.290 0 50 DEAA CC(C)C(=O)N[C@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl 19315810 IVGPERNMRHQKAO-SCZZXKLOSA-N 317.644 2.224 0 50 DEAA CN(Cc1cnc2ccccn12)[C@H]1CCOC2(CCNCC2)C1 1857676228 LXPHQZXKXYQRQZ-HNNXBMFYSA-N 314.433 2.067 0 50 DEAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCO1 238196707 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CC(C)c1ccc(C(=O)N2CC(=O)N(CC3CC3)C2)c(O)c1 279473927 NNWMSFZAZWOVBR-UHFFFAOYSA-N 302.374 2.168 0 50 DEAA Cc1ncsc1-c1ccc(CN2CC[C@@H](C(N)=O)C2)cc1 667470788 LFJFLAPYHOTTKJ-CQSZACIVSA-N 301.415 2.426 0 50 DEAA O=C(c1c[nH]nc1-c1ccc(Cl)s1)N1CC[C@@H](CO)C1 187325879 DFUCEFGZQVXZNV-MRVPVSSYSA-N 311.794 2.246 0 50 DEAA CNC(=O)Cn1cc(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cn1 188382652 MISZPZQNZYFMKQ-JKSUJKDBSA-N 312.417 2.452 0 50 DEAA O[C@]1(c2cnn[nH]2)CCN(Cc2ccc(-c3ccccc3)o2)C1 583617303 DKBQYIXTUDVDML-QGZVFWFLSA-N 310.357 2.158 0 50 DEAA C[C@@H](c1nnnn1C)N1CCC(CCN2CCCC[C@H]2C)CC1 189560972 CBXNFXDITIIMOD-CABCVRRESA-N 320.485 2.248 0 50 DEAA C[C@@H]1OCCC[C@H]1C(=O)N1CCC(Cc2nccn2C)CC1 189621112 ICSHDDXDFKAJIO-DZGCQCFKSA-N 305.422 2.016 0 50 DEAA Cc1cc2c(=O)[nH]c(Cc3nncn3-c3ccccc3)nc2s1 193741798 RURZLLNPDBLMPX-UHFFFAOYSA-N 323.381 2.465 0 50 DEAA CO[C@H]1CN(C(=O)NCCCc2nc(C(C)C)no2)CC[C@@H]1C 195573760 WWLPXXAYIICEAN-STQMWFEESA-N 324.425 2.192 0 50 DEAA O=C(NC1CCOCC1)c1ccc(-c2ccccc2CO)cn1 665207280 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315.417 2.034 0 50 DEAA COc1cnc(C(=O)N[C@H](C)c2nc(C)sc2C)cc1O 299802767 PGBIOQUMDBSKLA-SSDOTTSWSA-N 307.375 2.360 0 50 DEAA CC(C)C[C@@H]1CN(C(=O)c2ccccc2-n2cncn2)CCO1 584899048 CGMRWLDDBRPVLM-CQSZACIVSA-N 314.389 2.154 0 50 DEAA CCN1CCN(C(=O)[C@H]2CCC(F)(F)C2)C[C@H]1c1ncc[nH]1 408337512 GTJVRDOVSPCUGP-RYUDHWBXSA-N 312.364 2.050 0 50 DEAA O=C1NCc2ccc(NC(=O)c3n[nH]c4c3CCCCC4)cc21 170090072 SQLKKDFEWSZSOW-UHFFFAOYSA-N 310.357 2.174 0 50 DEAA CN(C)C(=O)N1CCC(c2nc(-c3cscn3)no2)CC1 278589458 DXXLZGOXZIIJIU-UHFFFAOYSA-N 307.379 2.054 0 50 DEAA C[C@@H](Cc1cncc2ccccc12)C(=O)N1CCC[C@H]1C(=O)O 630177099 RAEQNFCXJITRPX-LRDDRELGSA-N 312.369 2.489 0 50 DEAA C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C[C@@H](C(=O)O)O1 630263528 PKJQDOFWYTYFEC-OTYXRUKQSA-N 318.373 2.084 0 50 DEAA COc1ccc2c(c1)nc(CNC(=O)NC1CCCC1)n2C 186017120 IPLCNLDJJHFSBD-UHFFFAOYSA-N 302.378 2.324 0 50 DEAA CC1(C)CCCN[C@H]1C(=O)NC[C@@H]1Cc2ccccc2CO1 638461786 MXOOHTDUZYUCSI-HOTGVXAUSA-N 302.418 2.022 0 50 DEAA 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301.394 2.081 0 50 DEAA C[C@H](c1nnnn1C1CC1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 329829418 JKPODPWZKDMGBR-KWCYVHTRSA-N 303.410 2.103 0 50 DEAA CCn1cc(NC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(C(N)=O)n1 239046323 FNNRRGSJWQEKJA-GMTAPVOTSA-N 323.466 2.113 0 50 DEAA NC[C@H]1CCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 178572059 GDHFSQDHLBGZOW-LLVKDONJSA-N 316.323 2.325 0 50 DEAA CN(C)CCc1noc([C@@H]2CCC(=O)N(C3CCCCC3)C2)n1 91616959 WXUWAPFHQHMWBL-CYBMUJFWSA-N 320.437 2.212 0 50 DEAA CCOc1cc(CN(C)c2nc(N)ncc2C)ccc1OC 92019938 QPAMIBIUCGIRDD-UHFFFAOYSA-N 302.378 2.411 0 50 DEAA Cc1ccc(C)c(CCNC(=O)[C@@H](N)c2c(C)n[nH]c2C)c1 92022853 DNNNAZJQLGGRSZ-INIZCTEOSA-N 300.406 2.002 0 50 DEAA CN(CCCc1ccccc1)c1cc([C@H]2C[C@@H](N)C2)nc(N)n1 244633555 GEWDVKONEKBDNP-GASCZTMLSA-N 311.433 2.333 0 50 DEAA CC1=C(C(=O)N2CCC[C@H]2Cn2cc(C3CC3)nn2)CCCO1 299745042 QXDSECRLAXLTBH-AWEZNQCLSA-N 316.405 2.231 0 50 DEAA CC[C@H](NC(=O)CCN1Cc2ccccc2C1)[C@H]1C[C@H](O)C1 244873262 WMUZVTODGXTAPA-ULQDDVLXSA-N 302.418 2.058 0 50 DEAA 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Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2[C@H]3CCCC[C@H]32)cc1 252694346 JIRRNKIYARHKRO-BTTYYORXSA-N 308.403 2.172 0 50 DEAA Cc1cnn([C@@H](C)CNC(=O)c2ccc(CN3CCCC3)o2)c1 534584539 OYCDNDYLYXWNAV-AWEZNQCLSA-N 316.405 2.371 0 50 DEAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCCC[C@H]1CC(=O)O 390937562 IVLOUYBSDPPFSD-MQIPJXDCSA-N 319.357 2.071 0 50 DEAA O=S(=O)(C[C@H]1CCCC2(CCC2)O1)NCCc1cccnc1 1414236798 QHZMRSLRZIWUIA-OAHLLOKOSA-N 324.446 2.035 0 50 DEAA CCCOc1ccc(C(=O)N2CC[C@H](C(=O)O)C2)cc1OCC 269209571 VPAFRMFCTPZENZ-ZDUSSCGKSA-N 321.373 2.421 0 50 DEAA Cc1c(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cnn1C 305179451 BPBDWGFLEDTJSJ-CJNGLKHVSA-N 307.344 2.315 0 50 DEAA CO[C@H]1CN(C(=O)NCC(C)(C)c2cccs2)C[C@H]1OC 276877496 MCOCRMXHXUNUJO-TXEJJXNPSA-N 312.435 2.081 0 50 DEAA C/C=C/C[C@@H](CO)NC(=O)CCc1cc(OC)cc(OC)c1 170598472 MLSXNZMOENTWON-NNTXTVRGSA-N 307.390 2.080 0 50 DEAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc2c1OCO2 275493216 JCUJFASJESXSAO-BBRMVZONSA-N 315.373 2.252 0 50 DEAA C[C@@H](NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C)c1ccccc1 275573971 IOSWOIVXOCIACC-SNPRPXQTSA-N 314.389 2.311 0 50 DEAA O=C(Nc1cncnc1-n1cccn1)c1noc2c1CCCCC2 275551653 CHDVHDHWGDKTLB-UHFFFAOYSA-N 324.344 2.172 0 50 DEAA CN=[S@](C)(=O)CCNC(=O)C[C@H](C)Cc1cccc(F)c1 585127725 HVMNTZFKNZRIJL-XUSGNXJCSA-N 314.426 2.238 0 50 DEAA CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585127313 WWGFRFUPMLELPW-VIQHNZTISA-N 320.477 2.428 0 50 DEAA Cc1cccc2cc(C(=O)N3CCOC[C@H]3c3ncon3)oc12 679319466 WKFVZWMVXWIVFF-LBPRGKRZSA-N 313.313 2.338 0 50 DEAA COCCn1c(NC(=O)[C@H]2CCCO[C@@H]2C)nc2ccccc21 190301202 GZSDBIXUFNPTOD-OLZOCXBDSA-N 317.389 2.436 0 50 DEAA O=C(Cc1ccccc1F)NC[C@@H](C(=O)O)c1ccccc1 195529844 OWUSAJPVQPAQPK-CQSZACIVSA-N 301.317 2.353 0 50 DEAA OCC[C@H](NCCc1cnn[nH]1)c1cccc(C(F)(F)F)c1 660672042 OTIYCMKMDVMAHH-ZDUSSCGKSA-N 314.311 2.079 0 50 DEAA C[C@@H]1[C@@H](C(F)(F)F)OCCN1c1nnc(-c2ccon2)s1 664504232 CFPGWHCABQXADY-SVRRBLITSA-N 320.296 2.349 0 50 DEAA C[C@@H]1OCCC[C@@H]1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)O 668272749 LVFUSCYCFQCRRN-DHMWGJHJSA-N 305.374 2.380 0 50 DEAA COC[C@H]1CC[C@H]1NC(=O)CCCC(=O)NCc1ccccc1 1614998619 UUQBGCGTMMKAFE-HZPDHXFCSA-N 318.417 2.014 0 50 DEAA C[C@@H]1CN(CC(C)(C)O)CCN1Cc1coc(C(C)(C)C)n1 1615002647 LCBLWCCMFAXQAH-CYBMUJFWSA-N 309.454 2.249 0 50 DEAA COCC1(c2ccccc2)CN(C(=O)Cc2cccnc2C)C1 1615049471 TZJGFJDMEUFBEA-UHFFFAOYSA-N 310.397 2.359 0 50 DEAA CCCCNCc1cc(Cl)c(OCC(N)=O)c(OC)c1 2863690 BFCGTPOJQUMTQV-UHFFFAOYSA-N 300.786 2.102 0 50 DEAA C[C@@H](C(=O)O)N1CCO[C@@H](c2ccccc2Br)C1 237511096 HBWAUTZMHGHSNH-JOYOIKCWSA-N 314.179 2.296 0 50 DEAA COc1cc(C)ccc1OCc1nc(C(=O)N2CCCO2)co1 12051639 CMUNKTDDIMQTRI-UHFFFAOYSA-N 318.329 2.348 0 50 DEAA CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1c[nH]c2ccccc12 13124810 BVCNKRJXIKBXDX-AWEZNQCLSA-N 324.344 2.006 0 50 DEAA O=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1cc[n+]([O-])cc1 15075019 DGDGWMFKDYUIGO-QGZVFWFLSA-N 317.433 2.095 0 50 DEAA COCCOCn1cc(-c2csc(-c3ccncc3)n2)nn1 1857530240 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Cc1cc(CNc2ccc(F)c(N3CCCNC3=O)c2)n(C)n1 418057558 GUSMUSDVLYSEJG-UHFFFAOYSA-N 317.368 2.399 0 50 DEAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cnn(C)c1 248930788 XTJMYMKHHLVKSL-CZUORRHYSA-N 313.405 2.062 0 50 DEAA COCc1cc(CNC(=O)c2csc3c2CCCC3)n[nH]1 67697236 DAFZMXHMSNNNDK-UHFFFAOYSA-N 305.403 2.426 0 50 DEAA Cc1cc(C(=O)NCC[C@@H]2CN(CC(C)C)CCO2)ccc1O 67673758 PNBJDLADJZOOMJ-MRXNPFEDSA-N 320.433 2.177 0 50 DEAA Cn1cc(C2=CCN(CCC(=O)NC3CCCCC3)CC2)cn1 65386011 RERLNSRZFVBTOR-UHFFFAOYSA-N 316.449 2.348 0 50 DEAA CCCN1CCC(N2CCC(N3CCSCC3)CC2)CC1 20543244 GDHZTGXKMIZSOB-UHFFFAOYSA-N 311.539 2.374 0 50 DEAA Cc1cccc2nc(C(=O)NC[C@@H]3CCCN(C(C)C)C3)cn12 67714654 DMEPEZPTPYJXBH-HNNXBMFYSA-N 314.433 2.493 0 50 DEAA Cc1noc(C)c1C[C@@H](C)NC(=O)Cc1c[nH]c2ncccc12 121196030 TULYRFVMXULJHO-SNVBAGLBSA-N 312.373 2.458 0 50 DEAA COc1ccc(/C=C/CN2CCO[C@H](CCN(C)C)C2)cc1 12386560 QRJJEVHMJHJLJZ-SHCNBLLESA-N 304.434 2.361 0 50 DEAA O=c1[nH]c2cc3c(cc2cc1CN1CCC[C@@H](CO)C1)CCC3 67975649 OFBHTJKYCWAEHZ-CYBMUJFWSA-N 312.413 2.221 0 50 DEAA COCC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 143466066 FJQIYQOQHZFFJT-UHFFFAOYSA-N 313.279 2.154 0 50 DEAA O=C1NC2(CCC3(CC2)OCCO3)NN1c1ccc(Cl)cc1 1391988 COOCNCVFJGNSCN-UHFFFAOYSA-N 323.780 2.388 0 50 DEAA O[C@@](Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F 2516898 JWUCHKBSVLQQCO-INIZCTEOSA-N 301.296 2.492 0 50 DEAA biogenic,in-vitro CCOCC(=O)N1CCC[C@H](Cc2ccc(C(=O)O)cc2)C1 72129175 VGHXJKIDKPHXFB-CQSZACIVSA-N 305.374 2.202 0 50 DEAA CN(Cc1nc(-c2ccc(F)cc2)cs1)[C@H]1COC[C@@H]1O 215844848 LFQRYQAWKUUXFM-KBPBESRZSA-N 308.378 2.141 0 50 DEAA COc1cc(OC)cc(C(=O)NCCCn2cc(C)cn2)c1 2806987 SRUZIFHIJDLKIH-UHFFFAOYSA-N 303.362 2.029 0 50 DEAA Cc1cc(=O)c(C(=O)Nc2ccc3nc(S)[nH]c3c2)c[nH]1 121815276 VLWWQVNJPQAWOT-UHFFFAOYSA-N 300.343 2.101 0 50 DEAA CCOc1ccccc1CNC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C 252506424 SUSGZLNFRFXKOI-IFMYKAFSSA-N 324.446 2.136 0 50 DEAA C[C@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)CC2CCCC2)CC1 253418095 JVJBTAZPMZYELT-GDBMZVCRSA-N 322.449 2.053 0 50 DEAA O=C(c1[nH]nc2c1CCCC2)N1CC[C@@]2(O)CCCC[C@H]2C1 120756133 RDEBBJWEYCXILD-SJCJKPOMSA-N 303.406 2.056 0 50 DEAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)Cn1cccn1 328628782 OCROZDYYXSVCSN-GFCCVEGCSA-N 304.419 2.227 0 50 DEAA Cc1ccsc1C(=O)N1CCC([C@H](O)c2nccn2C)CC1 124651996 MQEQTZLBGOJCIL-ZDUSSCGKSA-N 319.430 2.376 0 50 DEAA C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc2c(c1)CCC2 241644587 PRYZOVNOQAIBFH-BBRMVZONSA-N 320.458 2.033 0 50 DEAA CCc1ccccc1N1C[C@H](C(=O)NOC(C)(C)C)CC1=O 126348759 QYOHSRYXLJPPCW-CYBMUJFWSA-N 304.390 2.448 0 50 DEAA COc1cc(CC(=O)N[C@@H]2CC=CCC2)cc(OC)c1OC 172495218 FHRQZURMWVYPAC-CYBMUJFWSA-N 305.374 2.480 0 50 DEAA O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)C1=COCCO1 126468348 NIACLZQWRRPLAQ-GFCCVEGCSA-N 322.792 2.313 0 50 DEAA CC(C)[C@@H]1CN(C(=O)Nc2cccc(N(C)C)n2)CCCO1 332379020 XHZUNYREXHUBOP-ZDUSSCGKSA-N 306.410 2.426 0 50 DEAA O=C1OCC[C@@H]1CCN1CCC(c2ccccc2CO)CC1 375571881 QGINRBWLQGUJMH-HNNXBMFYSA-N 303.402 2.312 0 50 DEAA CCO[C@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)O)cc2)C1 236965356 RYVRHVBRZHOISP-VSGCLNPGSA-N 303.358 2.426 0 50 DEAA CC(=O)N1CCc2c(ncn(C[C@@H](C)C3CCCCC3)c2=O)C1 333529612 LYZNAGGUQIMSPK-CYBMUJFWSA-N 317.433 2.364 0 50 DEAA CN1C[C@H](C(=O)N2CCCc3occc3C2)c2ccccc2C1=O 367391949 KBVQYQJFMJBURI-INIZCTEOSA-N 324.380 2.424 0 50 DEAA Cc1cc2nc(C(C)C)cc(N(C)Cc3nnc(C)o3)n2n1 72432271 GAWRRHIAFVJBPY-UHFFFAOYSA-N 300.366 2.489 0 50 DEAA C[C@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)c2cccnc2O1 158448566 ZHIQEQJONGYMAS-LBPRGKRZSA-N 321.340 2.090 0 50 DEAA CN(Cc1ccc(CCC(C)(C)O)cc1)C[C@H]1COCCO1 72459156 BGMLTYWFPPBLJT-KRWDZBQOSA-N 307.434 2.237 0 50 DEAA Cc1cc(=O)c(C(=O)N[C@H](CCO)C(C)(C)C)cn1C1CC1 283208857 AACJQNNACXNUHO-OAHLLOKOSA-N 306.406 2.019 0 50 DEAA C[C@H]1OCCN(Cc2ccc(-c3ccc(F)cc3)o2)[C@@H]1C(N)=O 284468838 BDSLYAKZBYOJRN-BZNIZROVSA-N 318.348 2.160 0 50 DEAA C[C@H](c1cccnc1)N1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 241126142 JJVCIWMHAXIOPC-CDHQVMDDSA-N 323.440 2.419 0 50 DEAA Cc1cc(CC(=O)N[C@@H](C)c2nncn2C2CCCC2)on1 222950596 HVHLKOLRXXOWDP-NSHDSACASA-N 303.366 2.110 0 50 DEAA Cc1cc(CN2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)no1 286211032 OMERIBNOMAQVDE-MFKMUULPSA-N 304.350 2.205 0 50 DEAA C[C@H](C(=O)NCc1cccs1)N1CCC[C@@H](c2ccn[nH]2)C1 229220243 DKPKPEGAITZBFL-CHWSQXEVSA-N 318.446 2.356 0 50 DEAA COc1ccc(OC)c(NCN2C(=O)c3ccccc3C2=O)c1 197469423 IKXZKNYVWYTPRF-UHFFFAOYSA-N 312.325 2.369 0 50 DEAA O=C(CN1C[C@@H](c2ccccc2)CC1=O)NCc1ccsc1 96163458 MDNHFGKEONRQBS-HNNXBMFYSA-N 314.410 2.380 0 50 DEAA COCCn1cnnc1[C@@H](C)Nc1nc(C)nc2ccsc12 91950647 AMMULFUCFBAQJH-SECBINFHSA-N 318.406 2.411 0 50 DEAA Cc1nn(C)c(C)c1CN(C)c1nc2c(s1)c(C)nn2C 95506614 RGRHZPCETCLIDF-UHFFFAOYSA-N 304.423 2.325 0 50 DEAA O=C(O)[C@H]1CCN(C(=O)CCCOc2ccc(F)cc2F)C1 237955505 TYTMNSAUYHAIOZ-JTQLQIEISA-N 313.300 2.057 0 50 DEAA Cc1cccc(CNC(=O)c2cc(F)ccc2OCCCN)n1 426615176 PVTAUWWROMFRQB-UHFFFAOYSA-N 317.364 2.187 0 50 DEAA CN(CC1(CO)CCCC1)C(=O)[C@@H](c1ccccc1F)N(C)C 91320139 PDVVYAWKXARQGG-MRXNPFEDSA-N 322.424 2.440 0 50 DEAA O=C(CCc1nc(C2CCOCC2)n[nH]1)N1CCCCCC1 97635090 XZNDHTSWHZEYGL-UHFFFAOYSA-N 306.410 2.034 0 50 DEAA CO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)n3ccnc32)C12CCC2 334063249 BZGYFJPYROTDHI-RFQIPJPRSA-N 318.421 2.488 0 50 DEAA COCC[C@@]1(CO)CCCN(C(=O)CCc2cccc(F)c2)C1 91755911 YGXZLPOKTOIFKC-SFHVURJKSA-N 323.408 2.396 0 50 DEAA O=C(Nc1ccc(-n2cccn2)cc1)N[C@@H]1CN2CCC1CC2 95531348 WPUULAVCSYNCEV-MRXNPFEDSA-N 311.389 2.088 0 50 DEAA CCn1ncnc1[C@H](NC(=O)c1n[nH]c2ccccc12)C1CC1 243957131 CGJBRDANIXVDEX-CYBMUJFWSA-N 310.361 2.055 0 50 DEAA C[C@H](CN(C)C(=O)c1ccc(C(F)(F)F)cc1)c1nnn[nH]1 183416146 HSMYPOINPBKTFB-MRVPVSSYSA-N 313.283 2.094 0 50 DEAA CN(C)C(C)(C)CNC(=O)N(Cc1ccc(O)cc1)C1CC1 534643599 HXOCZCPALLSXQA-UHFFFAOYSA-N 305.422 2.406 0 50 DEAA Cc1cccnc1[C@H](NC(=O)CCCN1CCOCC1)C1CC1 299786710 PLRIVIVTCXKBTL-GOSISDBHSA-N 317.433 2.070 0 50 DEAA O=C(CN1C[C@@H]2CC[C@H]1C2)NCc1ccccc1Cn1cccn1 299755859 FSNKVSDMRXQWHE-QAPCUYQASA-N 324.428 2.032 0 50 DEAA CCc1nn(C)c(NC(=O)N2CCC[C@H]2Cn2cccn2)c1C 299761391 KYIVVDWEPRLUIG-ZDUSSCGKSA-N 316.409 2.184 0 50 DEAA Cn1ccnc1[C@@](O)(CCNc1ncccc1F)C(F)(F)F 267803187 QPVJFURASLCRIA-LBPRGKRZSA-N 318.274 2.206 0 50 DEAA CCCc1nc(CN(C)[C@@H]2CCC[C@H]2S(C)(=O)=O)cs1 241515609 OGLTZUVIPQPBAB-CHWSQXEVSA-N 316.492 2.493 0 50 DEAA Brc1nccn2c(I)cnc12 59269088 NOZCLAVGNUXSGX-UHFFFAOYSA-N 323.919 2.096 0 50 DEAA in-vitro Cc1ccc(-n2nnnc2NC[C@H](O)c2ccsc2)cc1 301336026 CBHGOMFGOYIBFT-ZDUSSCGKSA-N 301.375 2.178 0 50 DEAA COc1cccc([C@H](C)N(C)S(=O)(=O)c2cn(C)c(C)n2)c1 952974640 WHTYWBORWNSILY-NSHDSACASA-N 323.418 2.119 0 50 DEAA COc1ccc(F)cc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)O 268951989 UBCLRFPLJXVVDI-LBPRGKRZSA-N 307.321 2.161 0 50 DEAA Cc1ccc(CC(=O)NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)s1 408494559 HUKUFANWMVOQBF-MDZLAQPJSA-N 313.444 2.234 0 50 DEAA CCC[C@@H]1CCc2c(sc(=O)n2Cc2nccc(N)n2)C1 170591133 NBDLOJVLPCSHMH-SNVBAGLBSA-N 304.419 2.235 0 50 DEAA Nc1nccnc1C(=O)N[C@H]1CCSc2c(F)cccc21 170624969 HZPOWXDDDRHBNE-JTQLQIEISA-N 304.350 2.165 0 50 DEAA Cc1[nH]ccc1C(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1 275716504 SRBFRBMDUZSFAB-CYBMUJFWSA-N 314.389 2.078 0 50 DEAA CC(C)(C)[C@H](NS(=O)(=O)C1COC1)c1ccc(F)cc1F 276991685 GUSNLZFUQUHGOE-CYBMUJFWSA-N 319.373 2.370 0 50 DEAA CN(C)C(=O)CCCSc1nnc2n(C)c3ccccc3n12 188064272 SDFKBIQZINFYPA-UHFFFAOYSA-N 317.418 2.182 0 50 DEAA Cc1cnccc1CC(=O)N1CCCCC[C@@H]1c1ncon1 189624552 BNLCKWXOHQGSAW-CQSZACIVSA-N 300.362 2.459 0 50 DEAA Cc1ncc(C(=O)NC[C@@](C)(C(=O)O)c2ccccc2)s1 193071366 JXTCZHDHDMPIME-OAHLLOKOSA-N 304.371 2.224 0 50 DEAA C[C@H]1COCC[C@@H]1c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 194892793 YNTAXJWPEBNAOK-GWCFXTLKSA-N 322.386 2.280 0 50 DEAA CCc1noc(CC)c1CNC(=O)[C@H](C(=O)O)C1CCCC1 663116962 TXQXEAMKUKTUGW-CQSZACIVSA-N 308.378 2.307 0 50 DEAA CN(C)[C@H](C(=O)N1Cc2cncnc2C1)c1cccc(Cl)c1 583035084 UJZBIHHGRDTIQW-HNNXBMFYSA-N 316.792 2.275 0 50 DEAA CCCC(=CC(=O)N1CCC[C@](O)(c2cnn[nH]2)C1)CCC 583617763 PDEPNVJFQKFSTI-MRXNPFEDSA-N 306.410 2.141 0 50 DEAA Cn1ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cn2)n1 585127253 VAUMEWOQSFJFLR-UHFFFAOYSA-N 302.334 2.023 0 50 DEAA CN(CCOc1ccc(O)cc1)C(=O)[C@]12C[C@H]1COC21CCC1 1615044641 KJFSHGOQDPUQAN-UGSOOPFHSA-N 317.385 2.189 0 50 DEAA CSc1cccc(CN(C)c2nc(N)nc3[nH]cnc23)c1 1506405498 FDIXJAMTHAIYME-UHFFFAOYSA-N 300.391 2.293 0 50 DEAA CCn1c(C)cc(C(=O)N2C[C@H](C(C)C)[C@@H](NC(C)=O)C2)c1C 225398001 WRUPIRIQBFNERF-SJORKVTESA-N 319.449 2.358 0 50 DEAA CCC1(CNS(=O)(=O)c2c(C(F)F)c(C)nn2C)CC1 416413350 CFPOUOOIXSNMLP-UHFFFAOYSA-N 307.366 2.135 0 50 DEAA OC1(CNCc2ccc(F)c(Br)c2)CCOCC1 112717131 LJTCXJQOMYIHDJ-UHFFFAOYSA-N 318.186 2.219 0 50 DEAA O=C1C[C@H](Nc2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1 5016308 QNIJIVXQAUQOID-AWEZNQCLSA-N 324.336 2.155 0 50 DEAA CN1CCC(N[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 12755077 NADGGHACHZPGOE-HNNXBMFYSA-N 321.852 2.125 0 50 DEAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)n1 16623568 DNVILTDBIUIBKZ-LLVKDONJSA-N 301.346 2.047 0 50 DEAA O=C1NCCC[C@@H]1CNC(=O)C1(c2ccc(F)cc2F)CCC1 253630143 NRRYKALLBFEIJJ-LLVKDONJSA-N 322.355 2.029 0 50 DEAA COc1ccc(C)cc1CC(=O)N[C@@H]1CCN(CC2CC2)C1 594647045 UUMZNWKBVGZCIQ-MRXNPFEDSA-N 302.418 2.147 0 50 DEAA CN1CCC[C@@H]1[C@](C)(O)c1ccc(OCc2cncn2C)cc1 818024057 ITTUZJBHSUQPDZ-QZTJIDSGSA-N 315.417 2.301 0 50 DEAA O=C(Nc1cccc(Cn2ccnc2)c1)N1CC[C@H]2C[C@H]1CO2 1875289573 BAGNAHBWDSNFIH-HOTGVXAUSA-N 312.373 2.327 0 50 DEAA O=C(NC[C@H]1COc2ccccc21)N[C@H]1CC[C@@H](C(=O)O)CC1 1875277008 WATXYKPVKABWFS-RWMBFGLXSA-N 318.373 2.105 0 50 DEAA COc1cc(C)nc(NC(=O)[C@H](OC)c2cc(F)cc(F)c2)n1 1875276081 LAMRNRCIKAKRKL-CYBMUJFWSA-N 323.299 2.398 0 50 DEAA N=c1cc(C2CCN(c3nnccc3C(F)(F)F)CC2)[nH][nH]1 1875287167 WYLWDGBFCZIOAD-UHFFFAOYSA-N 312.299 2.015 0 50 DEAA c1csc([C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 1875319589 JKYJXEFWWJHWPZ-CYBMUJFWSA-N 312.402 2.313 0 50 DEAA OC[C@H]1C[C@@H](F)CN1C[C@@H](O)c1ccc(Cl)c(Cl)c1 878478339 GQZRFXWFOSSVQV-GIPNMCIBSA-N 308.180 2.432 0 50 DEAA COCC1(S(=O)(=O)Nc2ccc(Cl)c3cn[nH]c23)CC1 1775993683 VNGFUTTXVCSPCF-UHFFFAOYSA-N 315.782 2.137 0 50 DEAA NCc1cc(CN2CCN(c3cncc4ccccc34)CC2)no1 2325777299 UDDWQCACNNNODW-UHFFFAOYSA-N 323.400 2.004 0 50 DEAA CC1(C)[C@H]2CC=C(CCOC(=O)[C@H]3CCn4nnnc4C3)[C@@H]1C2 2325866068 ZUMFQIDXNNEDLR-IHRRRGAJSA-N 316.405 2.161 0 50 DEAA Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 98025 JIGZWRLDCQPYQG-UHFFFAOYSA-N 309.372 2.306 0 50 DEAA NC(=O)[C@@H]1CCCCC[C@H]1NCCc1ccc2c(c1)CCO2 133005494 JYKASIINRRBUAP-HZPDHXFCSA-N 302.418 2.188 0 50 DEAA CC[C@@H](C)N1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O 4040943 OJYCYEBYXSXUJZ-BZNIZROVSA-N 311.385 2.062 0 50 DEAA biogenic Cc1cccc(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)c1 8844160 SDXOFNVJKACZAA-UHFFFAOYSA-N 315.398 2.298 0 50 DEAA O=C(NC1(c2nn[nH]n2)CCC1)c1ccc(Cl)cc1Cl 1363357714 DJIFDSRIXXFKTQ-UHFFFAOYSA-N 312.160 2.316 0 50 DEAA O=C(Nc1cccc(CN2CCOCC2)n1)[C@@H]1CC12CCCC2 348787649 OWZYBKGHVMSPLI-HNNXBMFYSA-N 315.417 2.433 0 50 DEAA O=C(O)c1csc(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)n1 124326993 OFTAWIWQZDAHGI-MNOVXSKESA-N 320.345 2.400 0 50 DEAA COC1(CNC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)CCOCC1 230136845 KXFOWNVLUJOBQX-SOUVJXGZSA-N 310.438 2.402 0 50 DEAA CCn1nccc1CCN(C)[C@H]1CCN(c2ccccc2)C1=O 253421532 WZUCTIQXDLNRLX-KRWDZBQOSA-N 312.417 2.183 0 50 DEAA C[C@H]1CN(CCC2CCN(c3ncc(F)cn3)CC2)C[C@@H](C)O1 253432667 MHEUNQYJEXDNCF-OKILXGFUSA-N 322.428 2.331 0 50 DEAA O=C(NCC(F)(F)F)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 151913257 GTDFWEHZLCNYHK-LLVKDONJSA-N 321.343 2.029 0 50 DEAA CCCCc1ccc(C(=O)N2CCOC[C@H]2CC(=O)O)cc1 219925597 GNVXQKVURDJTDC-OAHLLOKOSA-N 305.374 2.345 0 50 DEAA Cc1ccc(-n2ccc3c(c(C)nc4ncnn43)c2=O)c(C)c1 72117222 ZFPFISALQMYBEN-UHFFFAOYSA-N 305.341 2.354 0 50 DEAA O=C(Cc1ccsc1)N1CCCN(Cc2cccnc2)CC1 77337383 OBYAHMJWCZYZIM-UHFFFAOYSA-N 315.442 2.420 0 50 DEAA O=C(NCCc1noc(C2CCCC2)n1)c1ccncc1F 219020856 DSIPOPBSPHGRQU-UHFFFAOYSA-N 304.325 2.234 0 50 DEAA O=C(c1ccncc1O)N1CCO[C@H](c2ccc(F)cc2)C1 71770917 UEXNHIKYSNSLJX-HNNXBMFYSA-N 302.305 2.140 0 50 DEAA O=C(c1cccc(CO)c1)N1CCC[C@](O)(C(F)(F)F)CC1 376489164 ULVCSTTUEDNTCG-CQSZACIVSA-N 317.307 2.098 0 50 DEAA C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N[C@@H]1CCc2c[nH]nc2C1 332829198 OJZOLWJFTVSJHQ-IETSOEAISA-N 312.373 2.088 0 50 DEAA CC(C)(O)CCc1cccc(C(=O)NC2(CO)CCCC2)c1 72481206 SUXKLRLEVYVISV-UHFFFAOYSA-N 305.418 2.425 0 50 DEAA FC(F)COc1cc(CN[C@H]2CCN3CCC[C@H]3C2)ccn1 239351860 AADFKJCGJNPHOK-KBPBESRZSA-N 311.376 2.442 0 50 DEAA O=C(NCCc1cnn(-c2ccccc2)c1)C(F)(F)C(F)F 175845028 BQFKYGLJAGFVBF-UHFFFAOYSA-N 315.270 2.431 0 50 DEAA CCN(C[C@@H](C)O)C(=O)c1cccc(Nc2cnn(C)c2)c1 341349182 IHXACKLDKKMKAV-GFCCVEGCSA-N 302.378 2.007 0 50 DEAA Cc1oc(-c2cnn(C)c2)nc1C(=O)N(C)CC(F)(F)F 176942733 LCAVJYUCPNNTSC-UHFFFAOYSA-N 302.256 2.018 0 50 DEAA CC1CCC(NC(=O)[C@H](C)N2CCCc3c(cnn3C)C2)CC1 334045993 QCZFBPSWMSAREB-BBBYJDLNSA-N 318.465 2.252 0 50 DEAA CC(C)Cc1cc(CNC(=O)Nc2ccc3[nH]nnc3c2)on1 95507064 GRSSMGVGWBJWHH-UHFFFAOYSA-N 314.349 2.466 0 50 DEAA COc1ccccc1CC(=O)N1CCC[C@@H](CCC(=O)O)C1 237122008 LYAYQLJNGWMBOG-ZDUSSCGKSA-N 305.374 2.341 0 50 DEAA C[C@H](c1ccc(-c2cnc3n[nH]nc3c2)cc1)N1CCOCC1 96180094 ZVBIYGMLQXONTQ-GFCCVEGCSA-N 309.373 2.413 0 50 DEAA O=C(C1CCC1)N1CCC(c2nc([C@@H]3CCOC3)no2)CC1 96141578 AGLJBGQHEKMUCP-CYBMUJFWSA-N 305.378 2.080 0 50 DEAA Cc1cc(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)nc(C)n1 91475297 OELYFMIGCXUIMI-QGZVFWFLSA-N 303.406 2.108 0 50 DEAA c1ccc(-n2cnc(CN[C@@H]3[C@H]4CCO[C@H]4C34CCC4)n2)cc1 294921002 GVENNLVOMNQORP-DJIMGWMZSA-N 310.401 2.315 0 50 DEAA O=C(N[C@H]1CC[C@H](n2cnnc2)CC1)c1ccc2cccnc2n1 244564029 CLGXYOJQNZWMML-HDJSIYSDSA-N 322.372 2.135 0 50 DEAA Clc1cnn(CCN(Cc2cocn2)Cc2cocn2)c1 244811455 SCZDGBZWZPVJEG-UHFFFAOYSA-N 307.741 2.215 0 50 DEAA CCN(CCC(=O)O)C(=O)CCc1ccc2c(c1)OCCCO2 299751074 PKLUZFDIPHKTPY-UHFFFAOYSA-N 321.373 2.104 0 50 DEAA CC(C)[C@@]12O[C@H]3[C@H]4C[C@H]([C@H]3O)[C@@H](C(=O)N1C1CCCCC1)[C@H]42 244773860 PHYFXEPPBQGSKY-RKCAFXDWSA-N 305.418 2.155 0 50 DEAA Cc1cc(CN2C[C@@H](C)O[C@@H](c3nc(C4CC4)no3)C2)on1 623173489 JSDOBSQNIBNZEC-ZWNOBZJWSA-N 304.350 2.205 0 50 DEAA CC[C@@H](C)CN(C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 182532418 QRMSRSHSLPPHBF-UKRRQHHQSA-N 318.421 2.265 0 50 DEAA 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C[C@@H](O)[C@H]1CCCN1c1nccc(N2Cc3ccccc3C2)n1 624400238 IENLEKNGCKYXSC-CZUORRHYSA-N 310.401 2.346 0 50 DEAA NC[C@@H]1CCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 299739408 OCELEVWPEMFPMR-ZDUSSCGKSA-N 306.381 2.173 0 50 DEAA CN(C)CC[C@@H](NC(=O)c1[nH]nc(N)c1Cl)c1ccccc1 534648681 BKIYRDUBNOZPQN-LLVKDONJSA-N 321.812 2.068 0 50 DEAA Cc1nn[nH]c1C(=O)NC[C@H]1CCN(c2cccc(Cl)c2)C1 534670903 DKFYVVVFAXWGHW-LLVKDONJSA-N 319.796 2.023 0 50 DEAA Cc1nccn1CCC(=O)NC(C)(C)Cc1ccc(O)cc1 299778353 MNOFFEXXTVXHOZ-UHFFFAOYSA-N 301.390 2.425 0 50 DEAA CN(Cc1ccno1)C(=O)[C@H]1CC(Cc2cccc(F)c2)=NO1 299756562 DQFXVLBGBFCFMW-OAHLLOKOSA-N 317.320 2.160 0 50 DEAA COC[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Nc1cn(C)nn1 299787316 SQOCJEZVDVNLIH-LLVKDONJSA-N 321.356 2.023 0 50 DEAA CC(C)c1noc([C@@H](C)NC(=O)c2c3c(nn2C)CCCC3)n1 822285037 JKNMJRKTCYQLRW-SNVBAGLBSA-N 317.393 2.296 0 50 DEAA Cc1cn(CC(=O)N[C@H]2CCc3c[nH]nc3C2)c2ccccc12 1332492322 FTAHVCPJBUATBF-AWEZNQCLSA-N 308.385 2.347 0 50 DEAA O=C(Cc1nc(C2CC2)cs1)N[C@@H]1CCCCC12OCCO2 1411950216 PITZZRZDRQQZAN-CYBMUJFWSA-N 322.430 2.365 0 50 DEAA COc1ccccc1-n1cc(CN[C@@H](C)c2n[nH]c(C)n2)cn1 952873622 MJZAOEOGKANLMF-NSHDSACASA-N 312.377 2.158 0 50 DEAA CCC[C@H](NC(=O)CN1CCN(CC)CC1)c1cccs1 952968446 CBTLUWAUCXBVEE-AWEZNQCLSA-N 309.479 2.343 0 50 DEAA Cc1cc(NC(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)ccn1 276102483 WXLFGJYKCBJVOX-DZGCQCFKSA-N 315.377 2.165 0 50 DEAA Nc1nc(Cn2ccsc2=O)nc2sc3c(c12)CCCC3 269469264 KNGQYANGYQHGFF-UHFFFAOYSA-N 318.427 2.424 0 50 DEAA CCn1c(C(=O)Nc2nnn[nH]2)c(C)c2cc(Cl)ccc21 169870734 TZWJOALYWCCIPE-UHFFFAOYSA-N 304.741 2.388 0 50 DEAA Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H](C(=O)O)C(C)C)c1 275068649 WDAGJLZBPYRNNA-SNVBAGLBSA-N 319.810 2.284 0 50 DEAA CO[C@]1(C(=O)O)CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C1 630250604 AGOMSBXCZYXQKY-OUJBWJOFSA-N 323.311 2.057 0 50 DEAA Cc1csc([C@H]2CCCN2C(=O)c2csc(CO)n2)n1 634248110 HWHZWKKHFMAOAN-SNVBAGLBSA-N 309.416 2.378 0 50 DEAA O=C(NCc1ccncc1)NCc1ccc(Br)o1 187811197 RGJHJQCUVMXABP-UHFFFAOYSA-N 310.151 2.437 0 50 DEAA Cn1ccnc(Oc2ccc(CC(=O)OC(C)(C)C)cc2)c1=O 585092158 HOWGFJJEFQYOLH-UHFFFAOYSA-N 316.357 2.457 0 50 DEAA O=C(/C=C/c1ccc(C2OCCO2)o1)NCCc1ccccn1 585121789 ZVZBUDPJQZSYSO-FNORWQNLSA-N 314.341 2.092 0 50 DEAA COC(=O)c1ccccc1Cn1cc(N=S(C)(C)=O)cn1 585123151 XXRWFOHNFREJKU-UHFFFAOYSA-N 307.375 2.077 0 50 DEAA O=C(O)c1ccc(CNC(=O)[C@@H]2OCCc3ccccc32)cc1 194038389 CYRWPBZHZBXKHA-MRXNPFEDSA-N 311.337 2.315 0 50 DEAA Cc1nc(C)c(S(=O)(=O)NC[C@@H]2CCC[C@H]3C[C@@H]32)s1 657148399 ABTSFEKNBURNSK-SRVKXCTJSA-N 300.449 2.474 0 50 DEAA C[C@@H]1C[C@@H](N(C)C[C@@H]2CNC(=O)C2)CCN1Cc1ccccc1 659991990 DWUZBLWIBUZNHI-NJAFHUGGSA-N 315.461 2.107 0 50 DEAA N[C@@H]1CC12CCC(NC(=O)c1cc(O)nc3c1CCCC3)CC2 1615548323 WRXYJDCDTABMDN-YSTGTXGZSA-N 315.417 2.056 0 50 DEAA NC1CCC2(CC1)C[C@H]2C(=O)NCc1nccc2c1CCCC2 1615546042 JECYCXHJYDGOGB-RCDNUKIMSA-N 313.445 2.484 0 50 DEAA COc1ccc(OC)c2c(C)cc(N[C@H]3COC[C@@H]3OC)nc12 1506420587 KMHGLGIOAUQGKY-FZMZJTMJSA-N 318.373 2.386 0 50 DEAA Cc1cc(C(=O)N(CCN(C)C)Cc2[nH]cnc2C)ccc1F 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Cc1ccn2cc(C(=O)N3CC(Oc4nccs4)C3)nc2c1 820066071 VZTJCWONTHGYPP-UHFFFAOYSA-N 314.370 2.003 0 50 DEAA COc1nn(C)cc1NC(=O)NCC(C)(C)C1CCOCC1 931051610 QUGGGWCSBSYRFT-UHFFFAOYSA-N 310.398 2.003 0 50 DEAA COC(=O)c1cc(CN2CC[C@H](C(=O)O)c3ccccc32)on1 864096020 UQIHYLSKEQXHTR-LBPRGKRZSA-N 316.313 2.040 0 50 DEAA C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)no2)C[C@H](C)S1 874434908 HCVWXHHCTANGLJ-BQBZGAKWSA-N 324.328 2.124 0 50 DEAA Cc1csc([C@H]2CN(c3nccc4ncncc34)CCO2)n1 952876830 FWCSMGQSYQZHLH-CYBMUJFWSA-N 313.386 2.368 0 50 DEAA CC(C)[C@@H](CNC(=O)[C@H](O)c1ccc(Cl)cc1Cl)ON 1875292316 DDPFCLUMRQBUNX-VXGBXAGGSA-N 321.204 2.058 0 50 DEAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(C)(C)NC(C)(C)C3)n[nH]c21 1875294861 XTPYKRMNFQWQGI-MNOVXSKESA-N 320.437 2.035 0 50 DEAA CC(C)=CCCC(=O)Nc1ncnc2c1nc(N(C)C)n2C 1875325854 VMGGOXHJTUVXHV-UHFFFAOYSA-N 302.382 2.114 0 50 DEAA Cn1nc(CNC(=O)[C@@H]2OCCc3ccccc32)cc1C1CC1 885909034 LCYOWRGISBFJLD-QGZVFWFLSA-N 311.385 2.228 0 50 DEAA CC(=O)N[C@H]1C[C@H]1Nc1nc(C(F)(F)F)nc2ccccc12 1775988486 IDJXJCWXHOCVDV-WDEREUQCSA-N 310.279 2.338 0 50 DEAA c1cc(CNCc2ccnc(OC3CCC3)c2)n2ncnc2c1 2325779486 JFARSGCDYIGWOF-UHFFFAOYSA-N 309.373 2.345 0 50 DEAA O=C1CC2(CCC(C(=O)NC[C@H]3CNC4(CCC4)C3)CC2)C1 2325788959 VUNGYZFURHQKMP-ZDUSSCGKSA-N 304.434 2.174 0 50 DEAA CCOC(=O)[C@]12C[C@H]1CN(C(=O)[C@H](C)c1ccccc1F)C2 2325813220 ZCHOXALZKBGOOD-PEBVRCNWSA-N 305.349 2.341 0 50 DEAA N[C@@]1(c2ccccc2)CCN(C(=O)c2cc[nH]c3nccc2-3)C1 2325856701 ZSADALSXCOQOTB-SFHVURJKSA-N 306.369 2.215 0 50 DEAA O=C1CN(c2cc(C(F)F)ncn2)CCN1c1ccccc1 893198389 GURNNGUWBKBBSU-UHFFFAOYSA-N 304.300 2.267 0 50 DEAA O=C(O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 106367 ZGVIUMKHTXKKOX-UHFFFAOYSA-N 317.366 2.132 0 50 DEAA in-vitro Cc1ccccc1N1C(=O)C[C@@H](SC2=NCCS2)C1=O 261106 CROHYAHISFTMSY-LLVKDONJSA-N 306.412 2.463 0 50 DEAA O=C(CN1C(=O)c2cccc3cccc1c23)NC[C@@H]1CCCO1 525055 VVKPUAPJGHWAIV-ZDUSSCGKSA-N 310.353 2.095 0 50 DEAA CC(=O)c1ccc(NC(=O)CSc2nnc(N)s2)cc1 2442601 GIUBTYOIBIMTOU-UHFFFAOYSA-N 308.388 2.054 0 50 DEAA Cc1nc(=NCCc2nc(O)c3ccccc3n2)[nH]c(C)c1C 2356163249 ULHMGTGYXYQELY-UHFFFAOYSA-N 309.373 2.127 0 50 DEAA O=c1[nH]c2ccccc2n1CCCCn1c(=O)[nH]c2ccccc21 3136737 QOYAQJLBGIQJBA-UHFFFAOYSA-N 322.368 2.453 0 50 DEAA CC1=NN(C(=O)c2cccnc2)[C@](C)(O)[C@H]1Cc1ccccc1 4100542 ISCIGWHDJSYNCU-FUHWJXTLSA-N 309.369 2.481 0 50 DEAA COc1ccccc1NC(=O)COc1ccc(C(=O)O)cc1 4831868 IFBRXYDQAWNNOR-UHFFFAOYSA-N 301.298 2.411 0 50 DEAA O=C(N[C@@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 8613617 PEQMUUMLEPJMCU-SFOWXEAESA-N 309.791 2.161 0 50 DEAA Cc1ccc(OCCCN(C)C(=O)[C@@H]2CCN(C)C2)cc1C 55414861 KOFVKQQQGZYTKC-MRXNPFEDSA-N 304.434 2.482 0 50 DEAA O=C(NC1(c2nnc[nH]2)CCC1)c1cccc([C@H]2CCOC2)c1 280792843 LFSBPIDNODZMEW-AWEZNQCLSA-N 312.373 2.118 0 50 DEAA CN(C)CC(=O)N1CC[C@H](c2ccnc(-c3cccnc3)c2)C1 65396375 PQZKMXIGSHFCBR-INIZCTEOSA-N 310.401 2.021 0 50 DEAA CN(Cc1ccc2nsnc2c1)Cc1ncccc1C(=O)O 65393366 GSDGJMMJUXTZCU-UHFFFAOYSA-N 314.370 2.417 0 50 DEAA Cc1ccc(C2(O)CCN(C(=O)c3cccnc3C)CC2)nc1 67472787 KTRCNOOQUUDRSR-UHFFFAOYSA-N 311.385 2.217 0 50 DEAA CC(=O)NC1CCN(CC2=CCCN([C@H]3C=CCCC3)C2)CC1 65394589 URXOSSAYPFNGHO-IBGZPJMESA-N 317.477 2.328 0 50 DEAA Cc1cc(C)n(CC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)n1 67967212 LGJADBDHOJCFJL-UHFFFAOYSA-N 313.405 2.130 0 50 DEAA C[C@@H]1CC[C@@H](N(CCO)Cc2ncn(-c3ccccc3)n2)C1 252536096 HPFKELBUVXLYJU-GDBMZVCRSA-N 300.406 2.250 0 50 DEAA Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)o1 85850 JKKNHOYMARTPDL-AWEZNQCLSA-N 312.325 2.495 0 50 DEAA biogenic Cc1nc([C@@H]2CCCN(C(=O)CC[C@@H]3CC[C@@H](C)O3)C2)n[nH]1 329495570 XBZKZZZOXAGMCN-BNOWGMLFSA-N 306.410 2.167 0 50 DEAA COc1cc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)ccn1 72423542 XFOVKXRJCZGTHR-UHFFFAOYSA-N 324.340 2.412 0 50 DEAA C[C@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)N1CCSCC1 151318720 BUXIBCQSKIAMMQ-GDBMZVCRSA-N 320.458 2.024 0 50 DEAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)CCCC(=O)C1CC1 450319320 QJLGTGJMYQGQOL-CQSZACIVSA-N 319.405 2.076 0 50 DEAA COc1cccc(C2(CNC(=O)N3CC[C@H](O)C3(C)C)CC2)c1 361613398 ZWGCYSBFNKQVGA-HNNXBMFYSA-N 318.417 2.282 0 50 DEAA C[C@@H]1CNCCN1Cc1ccccc1OCCCn1ccnc1 216112808 IWPGTYXYLJCIQW-MRXNPFEDSA-N 314.433 2.146 0 50 DEAA CCCN1CCC(NC(=O)C(=O)Nc2ccc(C)cc2F)CC1 158365628 UFLOZAHWBXZUOV-UHFFFAOYSA-N 321.396 2.063 0 50 DEAA O=C(Cc1csc(-n2cccc2)n1)NCCc1ccco1 30819431 PCLIRCYXYDNVTD-UHFFFAOYSA-N 301.371 2.428 0 50 DEAA Cn1cnc2c(C(=O)N3CC[C@@H](Oc4ccccc4)C3)ccnc21 376332962 FRGLWBCAXJIAGX-CQSZACIVSA-N 322.368 2.262 0 50 DEAA OCCOc1cccc(-c2nccn2-c2ccc(CCO)cc2)c1 72152758 SOQRITSFRBSXCK-UHFFFAOYSA-N 324.380 2.445 0 50 DEAA CN(Cc1nc(-c2ccncc2)no1)C(=O)Cc1ccsc1 77539003 LGWYPRGELXLHFR-UHFFFAOYSA-N 314.370 2.394 0 50 DEAA Cc1cc(C)n(Cc2cccc(C(=O)NC3CCNCC3)c2)n1 262497757 DRMXWZJRDCVTPO-UHFFFAOYSA-N 312.417 2.030 0 50 DEAA O=C(O)C[C@H]1CCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 262866096 FPPUJWNITWCMRN-HUUCEWRRSA-N 303.358 2.270 0 50 DEAA O=C([C@@H]1C[C@]12CCc1ccccc12)N1CC[C@@H](c2nc[nH]n2)C1 333540108 ZTFVHUMBZXGEFS-XUWXXGDYSA-N 308.385 2.025 0 50 DEAA CCn1nccc1CN[C@H]1CCO[C@@H]1c1ccnn1C(C)C 284834174 WCDRGNFHLJKMBR-HOCLYGCPSA-N 303.410 2.300 0 50 DEAA c1cncc(-c2nn3c(CN4CCCCC4)nnc3s2)c1 40288246 UMGCZALOIPCGDT-UHFFFAOYSA-N 300.391 2.234 0 50 DEAA CCc1c(C)nn(CCNC(=O)[C@@H](C)n2cc(Cl)cn2)c1C 426628106 BYUVDINHKJRXEF-GFCCVEGCSA-N 323.828 2.290 0 50 DEAA CCCn1ccnc1CNC(=O)c1cccc(CN(C)C)c1 426621568 GRALPFLILBLKIW-UHFFFAOYSA-N 300.406 2.285 0 50 DEAA Cc1nccn1CCCNC(=O)N(C)CCC[C@H]1CCCO1 426668272 HYFTZXNWQHBANG-HNNXBMFYSA-N 308.426 2.182 0 50 DEAA Cn1cnnc1CC1CCN(c2cnc3ccccc3n2)CC1 82087525 BVLAPLUVXUWHNB-UHFFFAOYSA-N 308.389 2.217 0 50 DEAA O=C(Cc1ccccc1)N1CCN(CCC2CCOCC2)CC1 292629746 NLNGIUWIUYJEEY-UHFFFAOYSA-N 316.445 2.190 0 50 DEAA C[C@H](C(=O)NCCSCc1ccccc1)N1CCCC1=O 97632145 NRYNGYPZLONRQJ-CYBMUJFWSA-N 306.431 2.047 0 50 DEAA CCNc1ncc(C(=O)NCc2ccc(-n3cccn3)cc2)cn1 91586201 GYEXSJCKCOMDJQ-UHFFFAOYSA-N 322.372 2.024 0 50 DEAA CCCCc1ncc(CN2CCC3(CC2)OCCC[C@@H]3O)[nH]1 91526387 IXOKXIMRWDWWMQ-HNNXBMFYSA-N 307.438 2.258 0 50 DEAA C[C@H]1CN([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)C[C@@H](C)O1 180316487 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DEAA O=C(CCC(=O)Nc1cccc(F)c1)NCc1ccccn1 828026922 GHEDGFVSROJVKA-UHFFFAOYSA-N 301.321 2.256 0 50 DEAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnnc1 583645797 VSBQVEYSRHVDEV-UHFFFAOYSA-N 309.391 2.346 0 50 DEAA COc1cc(CN2CCC3(CC2)OCCO3)c(Cl)cc1O 585136783 SGJRPJWYAKLRKK-UHFFFAOYSA-N 313.781 2.393 0 50 DEAA c1ccc(OCCN(Cc2ncc[nH]2)C[C@@H]2CCCO2)cc1 952960321 DRJALRVHGJTXIF-INIZCTEOSA-N 301.390 2.470 0 50 DEAA Cc1cc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccccn2)c(C)o1 1565507604 NTQKWSBSRQCJOO-GJZGRUSLSA-N 316.357 2.258 0 50 DEAA CC(C)(C)OC(=O)N1CC2(C1)C(=O)NC[C@@H]2c1ccccc1 91303112 SXQCENPMBNBTBU-CYBMUJFWSA-N 302.374 2.137 0 50 DEAA in-vitro CSC1(CNC(=O)c2ccc(C(=O)O)cc2)CCOCC1 268951262 QNCVBAUCJWSBMH-UHFFFAOYSA-N 309.387 2.027 0 50 DEAA C[C@@H](NC(=O)N(C)C[C@]12CCC[C@H]1OCC2)c1ccn(C)n1 1470472042 MIFQJZRKUXWSHQ-XNRPHZJLSA-N 306.410 2.082 0 50 DEAA Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]([C@H](C)N)C2)cc1F 269665731 VSLLEHGSYPBGKW-WDEREUQCSA-N 318.389 2.021 0 50 DEAA CCc1cc(N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)nc(C)n1 407979643 DKLMLHFDTHRIDP-BFYDXBDKSA-N 305.422 2.104 0 50 DEAA Cn1cncc1C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 277308457 BIVKHVZAUAOWCR-CYBMUJFWSA-N 313.357 2.169 0 50 DEAA O=C(c1ccncc1Cl)N1CCc2ccccc2[C@@H]1CO 170084017 SKQVKDJJOXEVJV-HNNXBMFYSA-N 302.761 2.467 0 50 DEAA Cc1ccc([C@@H]2C[C@@H](C)N(CCN3C(=O)CCC3=O)C2)cc1 278394300 FIEURRUQYJEZSK-GDBMZVCRSA-N 300.402 2.322 0 50 DEAA CCN(CC(=O)O)C1CCN(CCc2ccc(C)cc2)CC1 186684224 MRXIOKODTQDTRU-UHFFFAOYSA-N 304.434 2.408 0 50 DEAA COCc1ccc(C(=O)N2C[C@@H](N)CC[C@@H]2C(F)(F)F)cc1 583619802 IYOKEHPFNDLQKL-QWHCGFSZSA-N 316.323 2.327 0 50 DEAA CC[C@H](NC(=O)c1ccc(=O)n(CCF)n1)c1ccccc1 585120694 CFSUBTFDNIMGLC-ZDUSSCGKSA-N 303.337 2.094 0 50 DEAA C[C@H](N[C@H]1CCCS(=O)(=O)CC1)[C@@H](c1ccccc1)N(C)C 585117526 JMCLPXUWLYGIKI-XIRDDKMYSA-N 324.490 2.235 0 50 DEAA CC[C@H](Sc1ccccc1)C(=O)NCCC[C@@H]1C=NNC1=O 585131029 JLQJKGDBHXWZKL-OCCSQVGLSA-N 319.430 2.186 0 50 DEAA C[C@]1(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CCNC1=O 585121065 DZPVNVVPEQEIQY-KRWDZBQOSA-N 318.392 2.280 0 50 DEAA CN(C)C(=O)C[C@@]1(O)CCCN(c2ccnc3ccccc23)C1 643719904 OGBLJKHYLBEIJZ-SFHVURJKSA-N 313.401 2.044 0 50 DEAA CO[C@@H](C(=O)N1CCC[C@@H](CCC(=O)O)C1)c1ccccc1 192912922 MHJZCKCQNDZTOK-XJKSGUPXSA-N 305.374 2.478 0 50 DEAA CSc1ccccc1CC(=O)O[C@@H]1[C@H]2C[C@@H]3C(=O)O[C@@H]1[C@H]3C2 1615571342 JMEDWHNPSVWDDR-APCWTUGXSA-N 318.394 2.444 0 50 DEAA CO[C@H](CS(=O)(=O)Nc1cc(O)ccc1Cl)C(C)C 1615570854 CCFPIWBEMJVZIW-GFCCVEGCSA-N 307.799 2.458 0 50 DEAA Cc1nccnc1N1CCC[C@@H](CNC(=O)c2cccs2)C1 1506401721 NPPNHWXRIXFOJI-ZDUSSCGKSA-N 316.430 2.493 0 50 DEAA COC(=O)[C@@H](Cc1cc(F)cc(Br)c1)C(=O)O 126417110 KFSAMSNWEVFHJA-VIFPVBQESA-N 305.099 2.005 0 50 DEAA N[C@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C1 132421903 YEKZSSQMKSJLJM-LBPRGKRZSA-N 309.207 2.040 0 50 DEAA C=CC(=O)N1Cc2cc(Br)ccc2C[C@H]1C(=O)OC 1875386898 CXIRBGRILFBIPU-LBPRGKRZSA-N 324.174 2.061 0 50 DEAA CC1=C(C(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)CCCO1 376449845 ODMNSZOOVNTCMR-ZDUSSCGKSA-N 307.312 2.377 0 50 DEAA Cc1cccc(C)c1OCCN(C)C[C@@H]1CCC(=O)N(C)C1 1775980678 HBGLRTVFBKUQCV-INIZCTEOSA-N 304.434 2.482 0 50 DEAA O=C(NCc1[nH]nc2ncccc12)c1cc(O)nc2ccccc12 1772805702 RAJZUHVOKQLWQC-UHFFFAOYSA-N 319.324 2.142 0 50 DEAA CCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12055596 CEDBFZLHFYEQNX-NSHDSACASA-N 314.307 2.333 0 50 DEAA CCC(=O)NC(=S)Nc1cccc(C(=O)N(CC)CC)c1 12138737 BWYYXKMEEOLMCA-UHFFFAOYSA-N 307.419 2.392 0 50 DEAA O=C(NCCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2 19772276 QRJFNEXTJAMXDD-UHFFFAOYSA-N 306.450 2.041 0 50 DEAA Cc1cccc(Cl)c1CN1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857727593 VRTAIQHYCZEOKD-ZBFHGGJFSA-N 306.793 2.182 0 50 DEAA CCC[C@]1(CO)CCN(c2cccc(C(F)(F)F)n2)C[C@@H]1O 1875246472 IRDNJVFWDVFLQA-GXTWGEPZSA-N 318.339 2.450 0 50 DEAA Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)nc(C)n1 331944777 OOMWUMLVUWEAIA-ZBFHGGJFSA-N 315.348 2.181 0 50 DEAA COCCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 247906666 XJBFQIYLWCZSGC-SJORKVTESA-N 302.418 2.146 0 50 DEAA O=C(C1CC1)N1CCC[C@H](C(=O)N2C[C@@H]3CC=CC[C@H]3C2)C1 252517776 QWPSKXLNZVLJHH-JYJNAYRXSA-N 302.418 2.060 0 50 DEAA CC(C)CCC(=O)NCC(=O)N1CCC[C@@H]1c1cccnc1 363462020 FEPVEPYYKWEGQK-OAHLLOKOSA-N 303.406 2.298 0 50 DEAA O=C1C[C@H](c2ccccc2)N(Cc2cnc3ccccn23)CCN1 158602776 GZPNRCGIBRHFBZ-QGZVFWFLSA-N 320.396 2.398 0 50 DEAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1ccc(Cl)cc1 262838744 BXYWIOPUQQMENG-CYBMUJFWSA-N 311.765 2.197 0 50 DEAA O=C(N[C@H]1CCc2c(Cl)cccc21)N1CCn2cnnc2C1 264758553 LHENHQCRIAKONE-ZDUSSCGKSA-N 317.780 2.144 0 50 DEAA CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1C 267117197 SQCGERZTHWWZSH-WMLDXEAASA-N 312.369 2.222 0 50 DEAA O=C(c1ccnc2cc(Cl)ccc12)N1CC[C@@]2(O)C[C@H]2C1 825362372 LKNPXFFLGQGSAB-MGPLVRAMSA-N 302.761 2.485 0 50 DEAA C=CC(=O)N(C)CC(=O)N1CCC[C@](C)(c2ccccc2)C1 859376195 BZLBASLRPUJETP-SFHVURJKSA-N 300.402 2.211 0 50 DEAA O=C(O)[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)OCCCF 952994314 ZFCQFKWORLXOIK-SFYZADRCSA-N 301.236 2.210 0 50 DEAA Cc1nnc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccnc2)o1 1875256182 OPCHPROMPSSLGW-GXFFZTMASA-N 301.350 2.381 0 50 DEAA O=C(O)[C@@H](C(=O)Nc1cccc(-n2nccn2)c1)C1CCCC1 1875270589 APMJYDLANICUSN-CQSZACIVSA-N 314.345 2.097 0 50 DEAA O=C(Cc1ccc(O)cn1)N1CCO[C@H](c2cccc(F)c2)C1 1875293232 HSFKZRNZPRYBRY-INIZCTEOSA-N 316.332 2.069 0 50 DEAA Cn1nccc1NC(=O)N[C@@H]1CCC[C@H]1C(=O)OC(C)(C)C 1875275252 KSOZGINRWOPTIB-GHMZBOCLSA-N 308.382 2.052 0 50 DEAA Cc1noc(COc2ccc(OC[C@H]3C[N@]3CC3CC3)cc2)n1 1875385043 LKIZDNZMDSVIPO-VLIAUNLRSA-N 315.373 2.430 0 50 DEAA O=C(c1cccc(-n2ccnc2O)c1)N1C[C@@H](F)C[C@@H](F)C1 1875318425 PAPZYVMAARKGLA-TXEJJXNPSA-N 307.300 2.100 0 50 DEAA CC1(C)NC(=O)C[C@@H]1C(=O)N1CCC[C@]1(C)c1ccccc1 1875395451 XTOZKXVWTOISJS-RDTXWAMCSA-N 300.402 2.439 0 50 DEAA COc1ccsc1C(=O)NCC1(O)CCC(F)(F)CC1 620326029 RJWVOVDWTRWCMC-UHFFFAOYSA-N 305.346 2.427 0 50 DEAA COCc1cccc(CC(=O)NC[C@@]23CCCN[C@@H]2CCC3)c1 2325779245 RVYCSARUECABKW-IEBWSBKVSA-N 316.445 2.414 0 50 DEAA O=C(N[C@H]1CC[C@@H](c2nn[nH]n2)C1)c1cc[nH]c1C1CCCC1 2325808963 FUEIBISGMMMPTQ-NEPJUHHUSA-N 314.393 2.252 0 50 DEAA O=C1CN(C(=O)c2ocnc2C2CC2)c2cc(F)c(F)cc2N1 906256540 WTOQLICJEJKLIP-UHFFFAOYSA-N 319.267 2.429 0 50 DEAA Cc1ccnc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 187225 UIPMDPVIUGQLAX-NSHDSACASA-N 309.325 2.013 0 50 DEAA CCC(=O)c1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)c1 133076384 FHYZQPMDRDYKFP-ZDUSSCGKSA-N 313.361 2.007 0 50 DEAA COc1ccc(NC(=O)CSC2=NCCS2)c(OC)c1 417571 BEQGQUAVZBYYQW-UHFFFAOYSA-N 312.416 2.478 0 50 DEAA Cc1cc(O)ccc1NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 1061796 QCWFULQVDGNGAI-UHFFFAOYSA-N 310.309 2.179 0 50 DEAA COCCC[C@@]1(CO)CN(CCCc2ccccc2)CC[C@H]1O 2356139049 LCVBWEAMAUSAPK-MOPGFXCFSA-N 321.461 2.091 0 50 DEAA C[C@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3cnco3)n21 2356147165 KWHJZPSTMHTQHR-NSHDSACASA-N 309.329 2.037 0 50 DEAA Cc1ccc(OCCCCNCCO)c(Br)c1 3000455 JTRFQRSPACETRW-UHFFFAOYSA-N 302.212 2.498 0 50 DEAA COc1ccccc1CNC(=O)[C@H]1Cc2ccccc2C(=O)O1 4838252 NNTYOSSAEPYUQC-MRXNPFEDSA-N 311.337 2.093 0 50 DEAA C[C@H]1C[C@@H]1c1nnc2ccc(NCC(C)(C)c3cccnc3)nn12 413582682 HCLPSWMUUWQVLN-JSGCOSHPSA-N 322.416 3.032 0 50 DEAA CCN(CC(F)(F)F)C(=O)C(=O)Nc1cc(C)ccc1F 225687015 CPKKIBOXZOQGLA-UHFFFAOYSA-N 306.259 2.483 0 50 DEAA CCn1nccc1CCN1C[C@H](O)C[C@@H]1c1cccc(OC)c1 225787207 YRPGMLGYUMTPSX-SJLPKXTDSA-N 315.417 2.262 0 50 DEAA CCCCn1ncc(NC(=O)N2CC[C@]3(CCNC3)C2)c1C 415320072 UTYJDRZWSFEJQO-INIZCTEOSA-N 305.426 2.209 0 50 DEAA O=C(O)CCCN1CCN(Cc2ccc(F)cc2Cl)CC1 116347602 YBDKBCLVKBSHDY-UHFFFAOYSA-N 314.788 2.462 0 50 DEAA CC[C@](C)(NC(=O)[C@H]1C[C@H]1c1ccc(OC)cc1)C(=O)OC 248227654 JSPIPRGUYBYIML-ZQIUZPCESA-N 305.374 2.257 0 50 DEAA O=C1CCC(c2ccccc2)=NN1CCN[C@@H]1CCSC1 65424895 BPMHPDXEDMTALM-CQSZACIVSA-N 303.431 2.108 0 50 DEAA CC[C@H](C)NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1 65364304 OSTBULKDCLQZEJ-LBPRGKRZSA-N 312.435 2.391 0 50 DEAA Cc1cc(NCCS(C)(=O)=O)nc2cc3c(cc12)CCC3 65532191 HFCSPNJAXHYVDE-UHFFFAOYSA-N 304.415 2.488 0 50 DEAA CCC(C)(C)NC(=O)[C@H](C)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 252505862 ODVKQSCLMABVCF-VGWMRTNUSA-N 307.482 2.096 0 50 DEAA CSc1nc(C(=O)N2CCC3(CCN(C)C3)CC2)cs1 65461717 XUQMZFAMNFOEPE-UHFFFAOYSA-N 311.476 2.423 0 50 DEAA Cc1nnc([C@@H]2COCCN2C(=O)c2oc(C(C)C)nc2C)o1 328993630 FZIXXQCWVXHLPM-NSHDSACASA-N 320.349 2.012 0 50 DEAA CCOC1(C(=O)NCc2ncnn2-c2ccccc2)CCCC1 253416626 STJRWKUDVKBARV-UHFFFAOYSA-N 314.389 2.233 0 50 DEAA COC[C@@H]1CCN(Cc2nc(COc3ccccc3)no2)C1 12225868 BDUPGDYWXOAIDO-CYBMUJFWSA-N 303.362 2.117 0 50 DEAA COc1ccc(CCNC(=O)c2cnn(C)c2-n2cccc2)cc1 30858843 TUHKVXDMFGSPJI-UHFFFAOYSA-N 324.384 2.192 0 50 DEAA COC(=O)CC1(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CCOCC1 488020718 BWZYXJGFCULLGA-IHRRRGAJSA-N 309.406 2.041 0 50 DEAA O=C(c1csnn1)N1CCO[C@H](CCCc2ccccc2)C1 15067682 MFZJJPZJIHYOJS-CQSZACIVSA-N 317.414 2.402 0 50 DEAA C[C@@H](C(=O)O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 262672145 SABJBLPLYHOZMP-NSHDSACASA-N 300.362 2.124 0 50 DEAA Cc1csc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 452751603 ZFYPCQLCGHIHDZ-GFCCVEGCSA-N 306.431 2.464 0 50 DEAA CC(C)(O)CCc1ccc(C(=O)N[C@@H]2CN3CCC2CC3)cc1 72423243 JZTVXXFVFQGMDC-QGZVFWFLSA-N 316.445 2.214 0 50 DEAA C[C@]1(F)CCCN(C(=O)Nc2cnn(-c3ncccn3)c2)C1 332607937 BANGIWFHJNBTMY-AWEZNQCLSA-N 304.329 2.018 0 50 DEAA Cc1nnc([C@@H]2CC23CCN(c2ncnc(N)c2Cl)CC3)o1 372986828 YSLXVJALYZTZBW-VIFPVBQESA-N 320.784 2.178 0 50 DEAA CC(=O)N[C@@H]1CCN(C(=O)N[C@H]2CCCc3ccc(F)cc32)C1 333701102 HBVQIPWJYKOPDL-ZBFHGGJFSA-N 319.380 2.123 0 50 DEAA Cc1cc(C)c(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c(=O)[nH]1 215334949 VTPPLWQPEVORML-UHFFFAOYSA-N 322.368 2.108 0 50 DEAA COc1cnc(N(C)Cc2cnn(-c3ccc(F)cc3)c2)nc1 77354917 NOFHCARVCVRVMS-UHFFFAOYSA-N 313.336 2.446 0 50 DEAA Cc1noc([C@@H]2CN(c3ncc(Cl)cc3F)CCN2C)n1 284673380 WQSCITARGOMXKO-NSHDSACASA-N 311.748 2.059 0 50 DEAA O=C(NCc1noc(-c2c(F)cccc2F)n1)c1ccncc1 220378554 HRQJINWJTFGJOV-UHFFFAOYSA-N 316.267 2.340 0 50 DEAA O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccncc1Cl 220142447 WSUGZVMMEGQVCP-ZFWWWQNUSA-N 324.808 2.297 0 50 DEAA CCOC(=O)C(=CNc1ccccc1OC(C)=O)C(=O)OCC 44123313 VFZPXLGVGUOWSX-UHFFFAOYSA-N 321.329 2.034 0 50 DEAA COc1ccc2c(C(=O)NCC3(CO)CC3)cc(C)nc2c1 426662469 SADXJTKANZHAKD-UHFFFAOYSA-N 300.358 2.054 0 50 DEAA C[C@@H](C(=O)N(C)Cc1nccn1Cc1ccccc1)n1ccnc1 81091272 XEVNSMMJHJCEKG-HNNXBMFYSA-N 323.400 2.348 0 50 DEAA Cc1cc(C2OCCO2)c(C)cc1CN[C@@H]1CC12CC(O)C2 1364913193 QEFDRSBLUWEVKQ-BFHRDPOASA-N 303.402 2.352 0 50 DEAA CCc1ccnc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)c1 180119991 DPQNIVBIYCRXGJ-CYBMUJFWSA-N 300.362 2.355 0 50 DEAA CNCC1CCN(C(=O)c2cc(OC)c(OC)cc2C)CC1 237348602 YOTUJOQXJGCDRJ-UHFFFAOYSA-N 306.406 2.084 0 50 DEAA Cc1cc2c(cc1C)O[C@H](C(=O)NCCc1c(C)n[nH]c1C)C2 616032513 KRYYBQSYPHYEHE-KRWDZBQOSA-N 313.401 2.306 0 50 DEAA Cc1ccn2cc(CNc3ncc(F)c(N(C)C)n3)nc2c1 95366189 PRVFPYBQKBRLHL-UHFFFAOYSA-N 300.341 2.250 0 50 DEAA CNC[C@@H]1CCN(C(=O)c2cnc3onc(C(C)C)c3c2)C1 179013233 MRARKRNHTXDHOP-NSHDSACASA-N 302.378 2.028 0 50 DEAA CC(C)NC(=O)CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95356918 NPURSHWBVLLVAS-HNNXBMFYSA-N 304.390 2.089 0 50 DEAA Cc1oc2c(c1C(=O)N1CC(C)(C)[C@@](C)(O)C1)C(=O)CCC2 92020526 LSURVDJUVLGVKH-KRWDZBQOSA-N 305.374 2.340 0 50 DEAA CC[C@@H](C(=O)O)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 242688363 VOHLTBGDYYQCPC-NSHDSACASA-N 305.783 2.278 0 50 DEAA CCCc1cc(N2CC[C@H](O)CC(C)(C)C2)n2ncnc2n1 296013497 NRAZLGOPOBXIPD-ZDUSSCGKSA-N 303.410 2.064 0 50 DEAA C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccncc2)CC(C)(C)O1 299260205 KWTWVSOVWFEZSE-LLVKDONJSA-N 300.362 2.111 0 50 DEAA Cc1n[nH]c(C2CC2)c1C(=O)NC[C@H]1CCN(CC(C)C)C1 299796236 OGLTUOMJDWLROU-CYBMUJFWSA-N 304.438 2.303 0 50 DEAA CCc1ccc2occ(CC(=O)N(C)C[C@H]3COCCO3)c2c1 299775283 BDSCGYRCGRBZQQ-HNNXBMFYSA-N 317.385 2.412 0 50 DEAA CC(C)[C@H](NC(=O)CN(C)Cc1ccccn1)c1cccnc1 299774935 IMWIVAWXDGFEQA-SFHVURJKSA-N 312.417 2.422 0 50 DEAA Cc1ccc(C/C(CO)=C(/I)CO)cc1 669385169 GGCQNGWRTRCKJW-QXMHVHEDSA-N 318.154 2.211 0 50 DEAA Cc1ccc2nc(CNC(=O)N3CCC[C@@H](CO)C3)[nH]c2c1C 584890950 AXZXOXHRIILWDP-CYBMUJFWSA-N 316.405 2.094 0 50 DEAA CCOCCC(=O)OCc1snc(OC)c1Br 585135834 DTAXWYNTPPLCJL-UHFFFAOYSA-N 324.196 2.384 0 50 DEAA OC[C@@H]1CCCN(CCNc2cc(C(F)(F)F)ccn2)C1 670442506 CSJHGNKIFHOYDE-LLVKDONJSA-N 303.328 2.217 0 50 DEAA COc1ccnc(C(=O)NCc2ccc3nsnc3c2)c1 670467200 IOZUFVWYANULLN-UHFFFAOYSA-N 300.343 2.025 0 50 DEAA CCc1ccccc1CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2 185714346 QPKKBQXZVUISJX-OAHLLOKOSA-N 321.442 2.080 0 50 DEAA CCN(C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)[C@@H]1CCN(C)C1 585116893 LQUHWUGRDSKWHP-DAYGRLMNSA-N 323.481 2.269 0 50 DEAA CCOc1ncc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1Cl 190479799 JCKBWQCHGMWODS-VIFPVBQESA-N 312.753 2.071 0 50 DEAA O=S(=O)(Cc1ccccc1)N1CCC([C@@H]2CCCO2)CC1 190514762 PJHIBJGDHISGGV-INIZCTEOSA-N 309.431 2.407 0 50 DEAA CCc1ccccc1S(=O)(=O)N1CCCC[C@@H]1CC(=O)O 646036411 CITYOVDOKJYWTP-CYBMUJFWSA-N 311.403 2.267 0 50 DEAA Cc1cc2c(cc1C)[C@H](C(=O)NCc1nc3cccnc3[nH]1)CO2 194221532 SZQIMYKKLGCNJO-CYBMUJFWSA-N 322.368 2.367 0 50 DEAA Cc1cccc(CN(CCO)C(=O)c2cnn(C)c2Cl)c1 1615626493 VMEQARAXUZXCHQ-UHFFFAOYSA-N 307.781 2.017 0 50 DEAA CCc1nc(CNC(=O)N[C@@H]2COc3ccc(F)cc32)co1 1615627441 ASKJHQVQYDUUNC-GFCCVEGCSA-N 305.309 2.309 0 50 DEAA Cn1nnc2cc(NCc3n[nH]cc3Br)ccc21 1621408057 PGRMGOBXUIHXIG-UHFFFAOYSA-N 307.155 2.066 0 50 DEAA CC(C)Cc1cc(C(=O)NCCSC(F)(F)F)nc(O)n1 1506421536 IEBDFSZJXFNSPN-UHFFFAOYSA-N 323.340 2.364 0 50 DEAA COc1cnc(N2CCC[C@H](c3nc(CC(C)C)no3)C2)nc1 1529120545 AOOQDWILOWFNPE-LBPRGKRZSA-N 317.393 2.451 0 50 DEAA O=C(c1cccc2c1OCCO2)N1CCC[C@]2(CCC[C@H]2O)C1 1704303071 IGOCCSIQYIDXRR-CRAIPNDOSA-N 317.385 2.225 0 50 DEAA Cc1ccc(CCC(=O)N2CCO[C@H](CCN(C)C)C2)cc1 12712372 GTUCUVZLWXYHAK-QGZVFWFLSA-N 304.434 2.107 0 50 DEAA O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1 16579798 UFFKXRBQXHTJEU-UHFFFAOYSA-N 310.202 2.155 0 50 DEAA CC[C@H](C(=O)Nc1ccccc1OC)n1c(N)nnc1SC 16622192 GKIWHUWGUBJGSM-SNVBAGLBSA-N 321.406 2.181 0 50 DEAA CN1CCN(CCn2ccnc2-c2cccc3ncccc23)CC1 1857695069 SDPGQALVXRRZMN-UHFFFAOYSA-N 321.428 2.346 0 50 DEAA c1cncc(-c2nccn2[C@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)c1 1857726849 FYNVBIDCWBZALS-ULQDDVLXSA-N 310.401 2.369 0 50 DEAA COCC1CCC(NC(=O)N2CC[C@H](n3cc(C)cn3)C2)CC1 334117907 ITMDNFKTKADTPI-GPANFISMSA-N 320.437 2.353 0 50 DEAA N[C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)C1 237936910 BKSWMVZLQHKEOY-LALPHHSUSA-N 308.809 2.367 0 50 DEAA C[C@@H](NC(=O)c1noc(-c2ccc(F)cc2)n1)[C@@H]1CCOC1 585130831 CZEWXOIJNUODSU-MWLCHTKSSA-N 305.309 2.031 0 50 DEAA CCc1ccc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)nc1 815080624 FONCMQJKRWPFAR-ZWKOTPCHSA-N 314.433 2.466 0 50 DEAA Cc1cccc(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)c1 929123567 CDOLEGLPJUFHEZ-CYBMUJFWSA-N 312.373 2.110 0 50 DEAA Cn1ccc(=O)c(C(=O)N(Cc2ccco2)CC(F)(F)F)c1 931263693 UXTITRXVCJTCNZ-UHFFFAOYSA-N 314.263 2.183 0 50 DEAA Cc1cc(NC(=O)[C@H]2OCCO[C@H]2C)n(-c2ccccc2C)n1 931849980 QFBRIIJGKJIJOE-BBRMVZONSA-N 315.373 2.232 0 50 DEAA COc1cc(Br)cc(C(=O)NC[C@H](O)C(C)C)c1 934779130 URTBKOSYHJXYAP-LBPRGKRZSA-N 316.195 2.204 0 50 DEAA C[C@H]1Oc2ccccc2[C@@H]1NS(=O)(=O)C1(C(F)F)CC1 1875369037 WILBFSQMOJXZJF-LDYMZIIASA-N 303.330 2.226 0 50 DEAA Cc1cc(NC(=O)[C@H](c2ccccc2)n2nnnc2C)cnc1C 1875328810 NKJVNZTUCLQPJQ-INIZCTEOSA-N 322.372 2.221 0 50 DEAA CCOc1cc(N2CCCN(c3ccncc3)CC2)nc(C)n1 1775994556 FEMKYBLIVLLCAD-UHFFFAOYSA-N 313.405 2.295 0 50 DEAA C1CCC2(C1)[C@@H](NCc1noc3c1COCC3)[C@@H]1CCO[C@@H]12 897362992 DLFKEPIWWLGHPZ-UVBJJODRSA-N 304.390 2.185 0 50 DEAA CC(C)=CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 495981379 SRNAQROOVHTPAQ-ZDUSSCGKSA-N 312.410 2.095 0 50 DEAA N[C@H]1CCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 132559076 KWXAVZYKIWSDDT-NSHDSACASA-N 302.296 2.077 0 50 DEAA CCn1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1 20602683 PDVNIAZPMURBAQ-UHFFFAOYSA-N 313.810 2.377 0 50 DEAA Cc1cc(NC(=O)CSc2ncn(-c3ccccc3)n2)no1 89114 JQCASIUWPFNUGI-UHFFFAOYSA-N 315.358 2.295 0 50 DEAA COC(=O)[C@H]1NN=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 174474 MKTBYSGQVNKKDE-HOCLYGCPSA-N 308.337 2.154 0 50 DEAA O=C(Cc1ccccc1)NCC(=O)OCc1ccccc1F 1075013 PMJQFYFIWSLWQC-UHFFFAOYSA-N 301.317 2.228 0 50 DEAA CN(CC(=O)O)S(=O)(=O)c1ccc2oc3ccccc3c2c1 2501034 PRFLFNZNIONTPY-UHFFFAOYSA-N 319.338 2.291 0 50 DEAA biogenic,in-vitro Cc1cnc(CNC(=O)CCC(=O)NC2CCCCCC2)cn1 55224583 OZVDSLNZGJESRC-UHFFFAOYSA-N 318.421 2.020 0 50 DEAA CCc1noc(C)c1C(=O)NCc1ccc(OC)c(OC)c1 8134206 NODIWRQRLFSKEQ-UHFFFAOYSA-N 304.346 2.493 0 50 DEAA Cc1noc2ncnc(N3C[C@H](O)C[C@H]3c3cccc(F)c3)c12 225698007 GDYLXFFNIJQOBI-OLZOCXBDSA-N 314.320 2.378 0 50 DEAA Cc1cccc(OC[C@@H](O)Cn2c(=N)n(C)c3ccccc32)c1 20292222 QAUFQZYEGQIERX-AWEZNQCLSA-N 311.385 2.208 0 50 DEAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H](N3CCCC3)C2)c1 229804192 WSSLODVWLBAHSB-NJAFHUGGSA-N 314.429 2.495 0 50 DEAA COc1ccc(OCCN2CCC[C@@H]2Cn2cccn2)cc1 65489894 HUILSNAPJBAKPZ-OAHLLOKOSA-N 301.390 2.435 0 50 DEAA CC[C@@H]1CCCCN1C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 251801900 ODEHAUOJHCJJHH-RBSFLKMASA-N 320.433 2.343 0 50 DEAA Cc1nn(CC(=O)N[C@@H](C)CN(C(C)C)C(C)C)cc1Cl 2782141 YUXFILKXBKXYNU-LBPRGKRZSA-N 314.861 2.468 0 50 DEAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C2=CCCC2)C1 328622651 IOZQKOYIQAFIRH-CQSZACIVSA-N 301.390 2.238 0 50 DEAA CN1CCN2CCN(Cc3ccc(-c4ccco4)cc3)C[C@@H]2C1 216006400 LWULAKYDYVLTSW-SFHVURJKSA-N 311.429 2.378 0 50 DEAA CO[C@]1(C)C[C@@H](NC(=O)N2CC[C@H](c3nccn3C)C2)C1(C)C 332763867 VZFKUMLJDWBEDU-OGHNNQOOSA-N 320.437 2.123 0 50 DEAA CCOCCn1nc(C)cc1C(=O)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 71759547 QPWWJVCBIIXBLB-GEEKYZPCSA-N 317.433 2.346 0 50 DEAA O=C(Nc1ccc(N2CCC2=O)cc1)N[C@@H]1CC12CCOCC2 333231168 YCWRUCFDWUEMDK-CQSZACIVSA-N 315.373 2.114 0 50 DEAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc(N2CCCCCC2)nc1 262084046 FUMQDMLOGOYTKK-AWEZNQCLSA-N 317.389 2.151 0 50 DEAA NC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCc2cc(Cl)ccc21 241911215 UAQMQRPUEVEHGU-MCIONIFRSA-N 321.808 2.281 0 50 DEAA C[C@@H]1CNCCN1C(=O)NCCSc1ccc(Cl)cc1 416853893 ARWWLYJMZMEQPB-LLVKDONJSA-N 313.854 2.435 0 50 DEAA O=C(O)CC[C@H]1CCCN(C(=O)COc2ccccc2F)C1 238002640 JOEHELCWMLHTBG-GFCCVEGCSA-N 309.337 2.308 0 50 DEAA O=C(N[C@@H]1CCc2c[nH]nc2C1)N[C@@H]1CCOc2ccccc21 378113301 PQRMTDBVGNDWMX-TZMCWYRMSA-N 312.373 2.090 0 50 DEAA C[C@H](NC(=O)N[C@@H]1CCCCC[C@H]1O)c1c(F)cncc1F 288662177 OZPGRRRPQATVKN-ZWKOPEQDSA-N 313.348 2.414 0 50 DEAA Cc1c(C(=O)N2CCC(CCn3cccn3)CC2)ccn1C 426370916 HTSHRDWELFFNIM-UHFFFAOYSA-N 300.406 2.473 0 50 DEAA COc1cccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1 47976829 BDHGRCYZYGMPLL-LBPRGKRZSA-N 305.378 2.027 0 50 DEAA C[C@H](NC1CN(C(=O)OCc2ccccc2)C1)c1ccn(C)n1 497067993 ZHFQAOSRLZCKJT-ZDUSSCGKSA-N 314.389 2.092 0 50 DEAA O=C(O)c1ccc(C(=O)N2CCC([C@@H]3CCCO3)CC2)s1 263533774 NQISRNQGGWXRIW-NSHDSACASA-N 309.387 2.478 0 50 DEAA CCC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c(O)n2)CCO1 613076970 VGCVWQPGYAHPEG-VIFPVBQESA-N 318.295 2.447 0 50 DEAA CC(C)c1cc(C(=O)NCc2ccccc2-n2cncn2)on1 91931915 JCBODHXBTLMFMB-UHFFFAOYSA-N 311.345 2.309 0 50 DEAA CC[C@@H](C(=O)N1CCN(Cc2cccs2)CC1)n1cccn1 91907270 XQCTUQUPWQEGIN-HNNXBMFYSA-N 318.446 2.240 0 50 DEAA Cc1ccc(F)c(CNC(=O)N2CCN3CCC[C@@H]3C2)c1F 426470832 NENYSTUUUTYRJU-GFCCVEGCSA-N 309.360 2.263 0 50 DEAA Cc1cnc(N)nc1N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 91416816 PJNXGXDAAHSCTL-LLVKDONJSA-N 317.780 2.238 0 50 DEAA CCCCn1nc(CCSC)nc1[C@@H]1CCCN1C(N)=O 96154010 BARMGTKDTBKUMY-NSHDSACASA-N 311.455 2.199 0 50 DEAA CCSCCn1cc(-c2ccc(OC)c(C(=O)O)c2)nn1 95378337 AGYDQQFIMFCFFJ-UHFFFAOYSA-N 307.375 2.405 0 50 DEAA CN(CCc1ccccc1)CCN1C[C@@]2(CCOC2)CCC1=O 91830339 YCQLCHGMXJYUST-IBGZPJMESA-N 316.445 2.190 0 50 DEAA COCC[C@@]1(C(=O)O)CCCN(C(=O)Cc2ccsc2)C1 91877172 CGGFDTXXOFDUAX-HNNXBMFYSA-N 311.403 2.021 0 50 DEAA Cn1cc(CCN2C[C@H](c3ccccc3)OCC2(C)C)nn1 625134628 QXAVQRINIPRDLO-MRXNPFEDSA-N 300.406 2.210 0 50 DEAA Cc1cnn([C@@H](C)C(=O)N2CCCN(C3CCCC3)CC2)c1 253378497 HBBPNYWSUOOYMZ-HNNXBMFYSA-N 304.438 2.229 0 50 DEAA O=C(CCn1ccnc1)N[C@H]1CCCN(Cc2ccccc2)C1 299549521 COFARAFQACSYSS-KRWDZBQOSA-N 312.417 2.054 0 50 DEAA C[C@@H](NC(=O)CCc1cnccn1)c1nc2ccccc2n1C 280317487 YYCNUTNDMBBWNV-GFCCVEGCSA-N 309.373 2.173 0 50 DEAA CCc1nc(CN(C)c2nc(N3CCCC3)nc(C)c2C)no1 823576064 DDHCJXXNYSKONE-UHFFFAOYSA-N 316.409 2.275 0 50 DEAA CCn1cnnc1CN(C)[C@@H]1CCN(c2ccc(F)cc2)C1 670440461 QVZPLHRSWPBMNE-OAHLLOKOSA-N 303.385 2.148 0 50 DEAA Cc1nc(CNc2nc(-c3cccnc3)nc3c2CCC3)no1 269034325 JVAMKRCTHRBNSU-UHFFFAOYSA-N 308.345 2.331 0 50 DEAA O=C(Cc1ccc(F)cc1Cl)Nc1n[nH]c2c1COCC2 899254752 YITCMTYHZDMESG-UHFFFAOYSA-N 309.728 2.456 0 50 DEAA CC(=O)c1c(C)[nH]c(C(=O)N2CCC(O)(C(F)F)CC2)c1C 408373753 FXPHUSZVYOCWAN-UHFFFAOYSA-N 314.332 2.066 0 50 DEAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2ccnn2C)CC1 408474181 IYZNCOCKOVIHCT-HOCLYGCPSA-N 305.422 2.331 0 50 DEAA O=C(CC1=CCCCC1)N[C@@H]1CCCN(c2nccnc2O)C1 275495392 BTIRDWGOSAZNOL-CQSZACIVSA-N 316.405 2.158 0 50 DEAA CS(=O)(=O)c1cc(-c2noc(C[C@H]3C=CCC3)n2)ccn1 273873749 NZLRYOXWLRRGGT-JTQLQIEISA-N 305.359 2.044 0 50 DEAA COC(=O)C[C@H]1CN(c2ccnc3c(F)cccc23)CCO1 170608352 GHUAMEAOGJIDIM-NSHDSACASA-N 304.321 2.142 0 50 DEAA Cc1ccc(SC[C@@H](C)NC(=O)NCc2ncn(C)n2)cc1 185918006 PWAPDOPPXAZTCM-GFCCVEGCSA-N 319.434 2.104 0 50 DEAA CC1=NO[C@H](CNC(=O)Cc2csc(-c3ccccn3)n2)C1 585087808 SORKBLJIBYRXJT-LBPRGKRZSA-N 316.386 2.029 0 50 DEAA CC[C@@H](C)CC(=O)N1CCN(Cc2nccn2C(F)F)CC1 190437745 WHPNYSOPQALWFD-GFCCVEGCSA-N 314.380 2.359 0 50 DEAA CN(CC(=O)Nc1ccccc1)C[C@@H]1CC2(CCC2)C(=O)O1 191901472 JTOCRAMBSNFQSL-AWEZNQCLSA-N 302.374 2.043 0 50 DEAA CCCCNC(=O)c1ccc(CNC(=O)c2ccon2)cc1 195387607 XQIHDIIMZXXSJI-UHFFFAOYSA-N 301.346 2.135 0 50 DEAA CO[C@@H]1CN(C(=O)NCCCc2nc(C(C)C)no2)CC[C@H]1C 195573762 WWLPXXAYIICEAN-CHWSQXEVSA-N 324.425 2.192 0 50 DEAA COc1ccc(F)c(NC(=O)N2CCC[C@@]3(CCNC3)C2)c1 667190860 GPERHTPEOURNEE-INIZCTEOSA-N 307.369 2.442 0 50 DEAA O=C(NCc1cscn1)N[C@@H]1CC[C@@H]2SCCS[C@@H]21 762566415 YGAZZEKLFLAHKE-OUAUKWLOSA-N 315.489 2.322 0 50 DEAA CCc1nn(C)c(NC(=O)[C@H](Cc2ccccc2)N(C)C)c1C 1529112032 GEGBJTWTTMTDOI-INIZCTEOSA-N 314.433 2.402 0 50 DEAA O=C(O)[C@@H]1CN(Cc2cccc3[nH]ccc23)CC12CCOCC2 1800413807 IULYZQYYGKAPGB-HNNXBMFYSA-N 314.385 2.481 0 50 DEAA CC(=O)c1cnc(N2CCN(CCc3ccccc3)CC2)nc1C 1704311459 KRLYKSLWRNUIMP-UHFFFAOYSA-N 324.428 2.352 0 50 DEAA O=C(c1ccc(OC(F)(F)F)cc1)N1C[C@H]2C[C@H](O)[C@H]2C1 1772708328 APCWAMANINDLLM-USWWRNFRSA-N 301.264 2.038 0 50 DEAA CC(C)(C)CNC[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 11838612 IEIQNPOGWFSUGS-GOSISDBHSA-N 322.424 2.315 0 50 DEAA CCN1C[C@@H](CN(C)Cc2nc(-c3cccs3)no2)CC1=O 12196896 JUXQXUIKVZLMLU-LLVKDONJSA-N 320.418 2.098 0 50 DEAA CCCOc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 17886422 BUMAJRUTBJTDPP-BETUJISGSA-N 313.419 2.273 0 50 DEAA Cc1cnnc(N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c1C 1857678708 LQPBQQLCTGMCML-CQSZACIVSA-N 302.422 2.321 0 50 DEAA CCOc1ncccc1C(=O)N1CCC(C2CCNCC2)CC1 1857709264 OLASQUONOKWBIC-UHFFFAOYSA-N 317.433 2.332 0 50 DEAA CC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 256534 GVLBWQBONYHZKK-KGLIPLIRSA-N 302.330 2.251 0 50 DEAA COc1cccc([C@@H]2C[C@H](O)CN2c2nc(C)cc(OC)n2)c1 225701244 VAUMVNATRPUUDH-ZFWWWQNUSA-N 315.373 2.115 0 50 DEAA COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 3883131 RUYIDMOVZKCDIJ-HNNXBMFYSA-N 319.382 2.188 0 50 DEAA in-vitro NC(=O)c1cccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 128153564 BDBIPYZQLTZURQ-HNNXBMFYSA-N 308.381 2.490 0 50 DEAA C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cnn2c1NCC2 1875277264 OMSQVENVSZWYMZ-DZGCQCFKSA-N 310.401 2.402 0 50 DEAA COC(=O)/C=C/CNC(=O)[C@@]1(c2ccc(F)cc2)CC1(C)C 1875273030 XNWBFVHERJYGOU-BDUNBXCCSA-N 305.349 2.339 0 50 DEAA Cc1nnc(Cc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3O)cc2)o1 1875293677 ZBEYGJLVKSWVSZ-CABCVRRESA-N 315.373 2.002 0 50 DEAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1Nc1ncc2ccccc2n1 1875399488 XRKXUMQYUNWSAV-DAXOMENPSA-N 309.373 2.078 0 50 DEAA CCn1nccc1[C@H]1OCC[C@@H]1NCc1cncn1C(C)C 886079831 JSGVWHYTWZJDGW-HOCLYGCPSA-N 303.410 2.300 0 50 DEAA Cc1nc([C@@H]2CC[C@H](CNC(=O)Cc3ccccc3C)O2)n[nH]1 1775957666 GXBSZXNZYVVTGB-CABCVRRESA-N 314.389 2.001 0 50 DEAA Oc1nc(C(F)(F)F)ccc1-c1noc(C[C@@H]2CCOC2)n1 897158832 PQAMIQVSIIWVLA-ZETCQYMHSA-N 315.251 2.435 0 50 DEAA O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(Cl)cc1 1226906 NTJIEOKKXSONOE-UHFFFAOYSA-N 300.701 2.476 0 50 DEAA CCC[C@H](C)CN(C)C(=O)Cc1nc(C2CCOCC2)n[nH]1 2325781931 FAQKQBSCGPEHFG-LBPRGKRZSA-N 308.426 2.136 0 50 DEAA CC1(NC(=O)c2ccccc2)CN(c2ccnc(C3CC3)n2)C1 2325865276 VGSPATRXBMHXFS-UHFFFAOYSA-N 308.385 2.363 0 50 DEAA N[C@H]1CCN(C(=O)COc2ccccc2Cc2ccccc2)C1 238059894 GEPLCDOXDKTELO-KRWDZBQOSA-N 310.397 2.216 0 50 DEAA O=c1ccc2cc(S(=O)(=O)NCc3ccccc3)ccc2o1 529021 CVVQPCKEMAZSNI-UHFFFAOYSA-N 315.350 2.272 0 50 DEAA biogenic O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](C(=O)O)CC1 2356137159 HODWPOFYMOZYJL-BETUJISGSA-N 319.357 2.108 0 50 DEAA O=C(NC1CCCC1)C(F)(F)C(F)(F)C(=O)NC1CCCC1 2749674 BGZGLPBJTGMVJF-UHFFFAOYSA-N 324.318 2.375 0 50 DEAA COc1ccc(Cc2nn3c(-c4cnccn4)nnc3s2)cc1 4776388 LHFBUCOYFOTVHW-UHFFFAOYSA-N 324.369 2.242 0 50 DEAA CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)O 4952522 NCZOQPHQZJOIEL-LLVKDONJSA-N 316.313 2.125 0 50 DEAA CCC(=O)Nc1cccc(C(=O)N[C@@H](C)Cn2cccn2)c1 52665584 DFBDQDWXCZHPFN-LBPRGKRZSA-N 300.362 2.050 0 50 DEAA O=C(O)COc1ccccc1-c1nc2ccc(C(=O)O)cc2[nH]1 55342889 UOLQVHSVTGSVSL-UHFFFAOYSA-N 312.281 2.392 0 50 DEAA CSc1nccc(-c2c[nH]nc2I)n1 51971786 XBRURAHDFBJPMJ-UHFFFAOYSA-N 318.143 2.193 0 50 DEAA CC[C@H](CO)N(Cc1cccnc1)Cc1cccc2nonc12 55211954 RVRZRRUMAOWISF-OAHLLOKOSA-N 312.373 2.391 0 50 DEAA Cn1nnc2cc([C@H]3CC(=O)Nc4cc5[nH]ncc5cc43)ccc21 67919962 HGIAZTJVVUYZGO-LLVKDONJSA-N 318.340 2.319 0 50 DEAA COC(=O)[C@@H](Cc1ccc(O)cc1)N1Cc2ccccc2C1=O 4060865 MQNQUGSOOIABBZ-MRXNPFEDSA-N 311.337 2.132 0 50 DEAA C[C@@]1(C2CCNCC2)NC(=O)N(Cc2ccccc2Cl)C1=O 67872351 SGGXRWQUANVFEH-INIZCTEOSA-N 321.808 2.150 0 50 DEAA C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2=O 29606702 DQCHQXCPBYWVAR-GWCFXTLKSA-N 302.374 2.202 0 50 DEAA O=C(O)CN1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 67895189 HISZVUHHVSCDNW-UHFFFAOYSA-N 303.337 2.480 0 50 DEAA NC(=O)CSc1nccc(-c2ccc(Br)cc2)n1 2805451 XTNUROGVQVAPGF-UHFFFAOYSA-N 324.203 2.484 0 50 DEAA Cc1nc2c(c(NCc3ccc4c(c3)C[C@@H](C)O4)n1)CCNCC2 72439266 PQDRHGSDXIWJHQ-GFCCVEGCSA-N 324.428 2.409 0 50 DEAA COCc1nc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)no1 328635043 NCLWQPCLUJYPCW-ZDUSSCGKSA-N 317.393 2.155 0 50 DEAA CCN1CCC[C@H](CN(C)Cc2cccc(-c3nn[nH]n3)c2)C1 215616876 UCDQHCWRUGTRJL-OAHLLOKOSA-N 314.437 2.030 0 50 DEAA CCn1ccc2c(CN3C[C@H]4C[C@H](O)[C@H](O)C[C@H]4C3)cccc21 216369494 IGKNRLTZDRGVIP-DJDHSFSDSA-N 314.429 2.225 0 50 DEAA COC1([C@H](C)NC(=O)c2cn(CC(F)(F)F)nc2C)CCC1 331927940 FQGKRPLRAIKVEW-JTQLQIEISA-N 319.327 2.441 0 50 DEAA C[C@H](CCO)C1(CNc2ncnc3c2NC(=O)CS3)CCC1 364968930 HGPKFCKAYNVJTM-SNVBAGLBSA-N 322.434 2.122 0 50 DEAA OCCN[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 366444579 RVLITGUENMARMJ-CRAIPNDOSA-N 317.360 2.159 0 50 DEAA Cc1nc(C(C)C)sc1C(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 72149712 TXOAHERUCJSFJB-HNNXBMFYSA-N 323.418 2.242 0 50 DEAA O=C(Nc1ccc2c(c1F)CCNC2)N1CCOC2(CCC2)C1 333259761 DSSRSEMVFMFXON-UHFFFAOYSA-N 319.380 2.258 0 50 DEAA CCOc1cc2c(cc1CNCC1(O)CCOCC1)O[C@H](C)C2 237073838 JICDRCDTBAWUJY-CYBMUJFWSA-N 321.417 2.040 0 50 DEAA COc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)O)C2)cc1F 237305095 IGAZLGYRMBHOPX-PZBABLGHSA-N 307.321 2.171 0 50 DEAA CCCC[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2C)C1=O 129204533 XYYUGRNOSJIJKH-ZDUSSCGKSA-N 303.362 2.044 0 50 DEAA O=C(O)CNC(=O)c1ccc(-c2nc3ccccc3s2)o1 237943945 QVGBZKJMMGQOGF-UHFFFAOYSA-N 302.311 2.371 0 50 DEAA COc1ccnc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)c1 285030954 ZNZSHCHXTMVPNC-BBWFWOEESA-N 306.406 2.106 0 50 DEAA C[C@H]1OCCN(C(=O)c2ccco2)[C@@H]1c1nc(C2CC2)no1 285106066 GOYHTKDRIGFLOG-SKDRFNHKSA-N 303.318 2.142 0 50 DEAA CCn1ccnc1[C@@H](NCc1ccnn1CC)C1CCOCC1 284838055 WLXVJMZEEHDGBH-INIZCTEOSA-N 317.437 2.377 0 50 DEAA CCc1nc(C)sc1CNC(=O)COC[C@H]1CCCCO1 223352937 VMJFBUUCBXCBNF-GFCCVEGCSA-N 312.435 2.216 0 50 DEAA Nc1nc(CCC(=O)NCc2cc(F)c(F)cc2F)cs1 97729500 HETBKXRRKYBACP-UHFFFAOYSA-N 315.320 2.392 0 50 DEAA O=C(CCc1ccncc1)N1CCN(C2CCSCC2)CC1 97775859 YBWFHNDAEHLINI-UHFFFAOYSA-N 319.474 2.054 0 50 DEAA CC(C)(C)n1nc(-c2ccccc2)nc1CC[C@H](N)C(=O)O 96163323 PVTROVFRGNMCOE-LBPRGKRZSA-N 302.378 2.045 0 50 DEAA CSCC[C@H](N)C(=O)N1CCCN(c2ccccc2C)CC1 91603627 VZJFTTYPSKWPJG-HNNXBMFYSA-N 321.490 2.114 0 50 DEAA CC(C)=CC[C@]1(CO)CCCN(c2nc(C(N)=O)cs2)C1 91713718 KNIRTXPZRWZDEH-OAHLLOKOSA-N 309.435 2.177 0 50 DEAA Cc1ccc(C(=O)N2CCO[C@H](c3nccs3)C2)nc1C 298056756 HMPOIYWALWANDN-ZDUSSCGKSA-N 303.387 2.369 0 50 DEAA CN1CCCC[C@@H]1C(=O)NC1(c2ccccc2)CCOCC1 534658887 JDDKQMBWOGYZOR-MRXNPFEDSA-N 302.418 2.293 0 50 DEAA CC(C)[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1ncnn1C 299763154 ZSYWBFDDVNSYEC-CQSZACIVSA-N 316.380 2.499 0 50 DEAA Oc1cc(N2CCCN(Cc3ccccc3F)CC2)ncn1 828934862 CCXRNRVVRMCRAR-UHFFFAOYSA-N 302.353 2.034 0 50 DEAA Cc1nc([C@@H](C)NC(=O)c2cc3ncccn3n2)c(C)s1 584897547 DYDMJBOFICYONV-MRVPVSSYSA-N 301.375 2.294 0 50 DEAA CC(C)(C)C[C@@H](NC(=O)c1coc(CN)n1)c1cccnc1 670447917 PXANMUPCAWJQDN-GFCCVEGCSA-N 302.378 2.436 0 50 DEAA CC[C@H]1[C@H](NC(=O)Cc2ccc(N(C)C)cc2)[C@H]2CCO[C@@H]12 1565516857 LRAFIROOTXQTQR-MVJTYMMSSA-N 302.418 2.225 0 50 DEAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)N)C2)cc1Cl 269622426 ISEPXJONRSCNHU-NWDGAFQWSA-N 316.854 2.396 0 50 DEAA C[C@@H](C(=O)N1CCN(C)[C@H](c2nccn2C)C1)c1cccs1 275332895 AGDPUTUTDAMFCT-OLZOCXBDSA-N 318.446 2.100 0 50 DEAA Cc1cnc([C@@H](C)NC(=O)c2cn(C)nc2[C@@H]2CCOC2)s1 276059522 TWUYQSOEMHZACI-GHMZBOCLSA-N 320.418 2.180 0 50 DEAA CCn1nc(C)c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1C 408470139 UFDMKILUBFSWTL-RRFJBIMHSA-N 305.422 2.285 0 50 DEAA CNC(=O)CN1CCC(N[C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 170070048 XPAOISUIXYHXSE-LIRRHRJNSA-N 315.461 2.028 0 50 DEAA CC[C@@H](CNC(=O)c1coc(C(N)=O)c1)Oc1cccc(F)c1 273638788 UHVHMTOMQBIHPI-LBPRGKRZSA-N 320.320 2.105 0 50 DEAA Cc1cc(O)nc(NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)c1 585087921 BLEBFMGGFGWGSC-SNVBAGLBSA-N 307.350 2.044 0 50 DEAA Cn1ccnc1[C@H](NC(=O)c1noc2c1CCCC2)C1CC1 585082402 NUNPGLNSPBSZHH-CYBMUJFWSA-N 300.362 2.168 0 50 DEAA CSC[C@H](C)C(=O)NCc1ccc(OCC(F)(F)F)nn1 585131414 VLGQCGTWNKVYTN-QMMMGPOBSA-N 323.340 2.033 0 50 DEAA CCN1CCC[C@H](NC(=O)c2cc(C)nc(C(F)(F)F)n2)C1 189200971 IHNLKVHRPNAZPZ-JTQLQIEISA-N 316.327 2.018 0 50 DEAA CCNc1ccc(Cl)cc1C(=O)N1CCC[C@@H](CC(N)=O)C1 190295548 KIHCHRQNLWUOQN-NSHDSACASA-N 323.824 2.499 0 50 DEAA N[C@@H]1CC12CCC(NC(=O)C1(C(F)(F)F)CCOCC1)CC2 1615546425 ODRWVDYDZCBPQO-QWKFWESOSA-N 320.355 2.122 0 50 DEAA Cc1ccccc1N1CCCN(CC[C@@H]2COCCO2)CC1 1775981062 HRCOPVYFBCRFPQ-QGZVFWFLSA-N 304.434 2.313 0 50 DEAA COc1ccc(C[C@@H]2CN(C(=O)CCSC)CCO2)cc1 12055828 IQBUSKZEXZJONN-OAHLLOKOSA-N 309.431 2.218 0 50 DEAA O=C1C[C@@H](NCc2ccccn2)CN1CCc1ccc(F)cc1 15079699 LJTDIHQZBZKPKM-QGZVFWFLSA-N 313.376 2.154 0 50 DEAA CC(=O)[C@H]1[C@H](c2ccc(C)cc2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 169683269 OVSACNJGYGVYJL-BDXSIMOUSA-N 302.370 2.213 0 50 DEAA CN(Cc1cccc2ccccc12)C(=O)[C@H]1CC[C@H](N)[C@@H](O)C1 1857719418 MLVDIOKXXCOPCX-WBAXXEDZSA-N 312.413 2.287 0 50 DEAA Cc1csc(NC(=O)CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)n1 237646096 CVIYUGKCGQIRDM-SRVKXCTJSA-N 323.418 2.108 0 50 DEAA Cc1ccc([C@@H]2C[C@@H]2C(=O)NC[C@H]2CN(C3CC3)CCO2)s1 225433202 ZCDLJILGRRAACM-ZNMIVQPWSA-N 320.458 2.139 0 50 DEAA COc1cc(NC(=O)c2cncn2C)ccc1Br 225475004 AIQSTIRKMKEJKB-UHFFFAOYSA-N 310.151 2.444 0 50 DEAA O=C(c1ncccc1O)N1CCO[C@@]2(CCc3ccccc32)C1 119377010 QTJBWDCXFQOVEC-SFHVURJKSA-N 310.353 2.101 0 50 DEAA CN(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 239174406 PYTNLSZCOMMFBA-UOVKNHIHSA-N 300.358 2.214 0 50 DEAA CCOc1nc(C)ccc1C(=O)Nc1cc(C(N)=O)ccc1C 252479324 BDABGLPGVXFHDS-UHFFFAOYSA-N 313.357 2.448 0 50 DEAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1sccc1Cl 263480747 KULJMARNGDWKGE-ZXFLCMHBSA-N 321.807 2.028 0 50 DEAA C[C@@]1(C(=O)N2CCOc3ncccc3C2)OCCc2ccccc21 907367199 CZZJXIUAWQZGRM-LJQANCHMSA-N 324.380 2.291 0 50 DEAA C[C@]1(C(=O)O)CN(C(=O)c2cccc3c2CCCCC3)CCO1 907748703 UEDSDUJFBMAYKZ-GOSISDBHSA-N 317.385 2.271 0 50 DEAA CC(C)n1cccc1C(=O)N1CCc2occc2[C@H]1C(=O)O 910203449 YACHVJZTKKHUDW-AWEZNQCLSA-N 302.330 2.486 0 50 DEAA CCc1onc(C)c1NC(=O)NCc1cc(C2CC2)nn1C 930574173 RTFVYGWKRLUWAS-UHFFFAOYSA-N 303.366 2.478 0 50 DEAA O=C(NCc1cc(C(F)F)on1)Nc1cnc2c(c1)COCC2 930745990 RQMNGUNVTGIJIX-UHFFFAOYSA-N 324.287 2.402 0 50 DEAA CN1Cc2ccccc2[C@H](NC(=O)c2cc(C(F)F)ncn2)C1 935098560 ALJOFPIVSVHLHF-CQSZACIVSA-N 318.327 2.331 0 50 DEAA O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc2nc(CO)[nH]c2c1 1156206108 NQOVQQCPRDGTDP-HIFRSBDPSA-N 307.353 2.341 0 50 DEAA COc1ccc(-c2noc([C@@H]3CNC(=O)C[C@@H]3C)n2)cc1C 1875298538 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2.078 0 50 DEAA COCc1noc(CN2CCC([C@@H](O)c3cccs3)CC2)n1 1529180593 LMUGRBZEKBMQKE-OAHLLOKOSA-N 323.418 2.223 0 50 DEAA C[C@H]1C(=O)N2CCC[C@H]2CN1C(=O)CCCc1ccc(F)cc1 1772704049 IGHPVOJVNOKRBX-BBRMVZONSA-N 318.392 2.370 0 50 DEAA COC(C)(C)CCC[C@H](C)CCN1C[C@@H]2[C@@H](C1)C2(CO)CO 1772805008 GDLGEAJPXYUUKD-ARFHVFGLSA-N 313.482 2.141 0 50 DEAA OC[C@@H](O)C1CCN(c2ccnc3cc(Cl)ccc23)CC1 1772818486 GMNLMZTWHKEIIE-MRXNPFEDSA-N 306.793 2.458 0 50 DEAA C[C@@H]1CCCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1 13647742 CWQABPJTTLSBBH-OAHLLOKOSA-N 302.418 2.391 0 50 DEAA O=S(=O)(Cc1ccccc1F)NCc1ccc2c(c1)OCO2 16578576 JZVMKECRZWCWRP-UHFFFAOYSA-N 323.345 2.174 0 50 DEAA c1ccc2nc(N3CCO[C@@]4(C[C@@H]5CC[C@H](C4)N5)C3)cnc2c1 1857671306 SUKSLBFDNMHVMG-UOIKSKOESA-N 310.401 2.120 0 50 DEAA CN1CCO[C@@H](Cn2ccnc2-c2cccc(-n3cccn3)c2)C1 1857676492 IFFKGTJELHJPLR-QGZVFWFLSA-N 323.400 2.066 0 50 DEAA COC(=O)[C@H]1CCc2nnc(COc3cccc(C)c3)n2CC1 601043793 IPZIKUJNGBZINM-ZDUSSCGKSA-N 315.373 2.291 0 50 DEAA CC(C)(C(N)=O)C(=O)Nc1ncc(Cc2ccccc2)s1 225521310 BTPYHRSRQIEQBP-UHFFFAOYSA-N 303.387 2.184 0 50 DEAA CS(=O)(=O)C[C@H]1CCN(c2nc(C3CCCC3)ns2)C1 333766377 DNLMRCIAXUKYHD-JTQLQIEISA-N 315.464 2.067 0 50 DEAA COc1cc(Cl)cc(C(=O)NC[C@H](CO)c2cccnc2)c1 354995153 IOMRUZNBAZKXNC-CYBMUJFWSA-N 320.776 2.250 0 50 DEAA O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc(O)ccc1Cl 685673141 QJHMHBOJTNFPDQ-QMMMGPOBSA-N 322.714 2.412 0 50 DEAA CCC1(O)CCC(NC(=O)N2CC[C@@]3(CCCOC3)C2)CC1 585081226 LEOHVNRKIZJBCA-WIHSUSGWSA-N 310.438 2.282 0 50 DEAA Cc1noc(C)c1CN1CCOc2ccccc2[C@@H]1C(=O)O 903926774 GSJSFVPIOKIYLT-OAHLLOKOSA-N 302.330 2.312 0 50 DEAA Cc1cc(Cc2nc(-c3c4n(c(C)cc3=O)CCC4)no2)no1 904071216 MAVVWGOHCJOKJX-UHFFFAOYSA-N 312.329 2.040 0 50 DEAA CC[C@H](C)C[C@H](NC(=O)c1cnc2cnccc2c1)C(=O)O 909863117 STXIDYAFNVGKJQ-GWCFXTLKSA-N 301.346 2.249 0 50 DEAA O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1Cc2cncnc2C1 848165498 YPGZDQQVBCUBHF-ZDUSSCGKSA-N 323.274 2.071 0 50 DEAA Cn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1Cc1ccncc1F 1875399198 RKXSWMQUSWJHHQ-GXTWGEPZSA-N 317.368 2.028 0 50 DEAA CC[C@@H]1CN(C)CCCN1C(=O)CCc1ccc(C(=O)O)cc1 887557365 JRVAISNZLRYSCS-MRXNPFEDSA-N 318.417 2.260 0 50 DEAA O=C(N1CCC12CCC2)C1(S(=O)(=O)c2ccccc2)CC1 2325744868 LRDDIKGZQKKTDE-UHFFFAOYSA-N 305.399 2.148 0 50 DEAA Cc1cc(C2CC2)ncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)O 2325769492 JWLRZQSGCRKQBO-JMSVASOKSA-N 300.358 2.345 0 50 DEAA Cn1nc(C2CCC2)cc1C(=O)N1C[C@@H]2CC[C@H]1[C@H](C(=O)O)C2 2325799596 KRVRBPUSJZRPEP-QKCSRTOESA-N 317.389 2.013 0 50 DEAA CCC1=NN(C(=O)COc2ccccc2)[C@@](O)(C(F)(F)F)C1 306114 BJKVSZHTPWJKFL-ZDUSSCGKSA-N 316.279 2.315 0 50 DEAA CCOC(=O)C1CCN(C(=O)COc2cccc(C)c2)CC1 468379 XKUCOEXUTQBJDE-UHFFFAOYSA-N 305.374 2.176 0 50 DEAA c1cc2c(cc1OCCN[C@@H]1CCN3CCC[C@H]3C1)OCO2 245339496 TZNLCWQNZVXJKX-KGLIPLIRSA-N 304.390 2.011 0 50 DEAA COC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@@H](C)C(=O)c1ccccc1 1441883 GKFCOOTYWRPLRI-RTXFEEFZSA-N 304.342 2.246 0 50 DEAA biogenic CNC(=O)C1=C(C)NC(=S)N[C@H]1c1c(F)cccc1Cl 2481584 BYHLHDGRHUPJDO-LLVKDONJSA-N 313.785 2.018 0 50 DEAA CCOC(=O)N1CCN(C(=O)CCCOc2ccccc2)CC1 4197152 UFNHAFHXTMSVPX-UHFFFAOYSA-N 320.389 2.146 0 50 DEAA O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1 4488049 UDNCUFDVCLUGDK-OAHLLOKOSA-N 324.380 2.104 0 50 DEAA CCc1ccc(N2C[C@@H](C(=O)Nc3nncs3)CC2=O)cc1 4976598 KNYDYKVYPSZTAY-NSHDSACASA-N 316.386 2.092 0 50 DEAA COc1cccc(C(=O)Cn2nc(-c3ccco3)ccc2=O)c1 4993435 JZAVVTWFEGUMBD-UHFFFAOYSA-N 310.309 2.395 0 50 DEAA O=C(CCc1nc(-c2ccccc2)no1)NCc1cccnc1 6136908 XDAKMKVNWQZVGS-UHFFFAOYSA-N 308.341 2.381 0 50 DEAA O=C(NCc1c(F)c(F)c(F)c(F)c1F)[C@H]1CCCOC1 225564786 YLZJUOFMTZOWAR-LURJTMIESA-N 309.234 2.425 0 50 DEAA c1cc2c(cc1-c1nc(CN3CCOCC3)cs1)OCO2 20494280 JNTLPPHDVPMUJS-UHFFFAOYSA-N 304.371 2.371 0 50 DEAA Cc1nc2nnc3c(=O)n(-c4ccc(C(C)C)cc4)ccc3n2n1 67631272 RWSZKGZUGOHBPN-UHFFFAOYSA-N 320.356 2.255 0 50 DEAA Cc1cnccc1CN(C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 67642379 RORYQSZMDMDRRQ-KRWDZBQOSA-N 322.412 2.400 0 50 DEAA CC(=O)N1CC(c2nc(-c3ccc(NC(C)(C)C)cn3)no2)C1 346881000 PHIVQOGQBHHHIA-UHFFFAOYSA-N 315.377 2.288 0 50 DEAA COc1ccc2ccccc2c1CN1CCN(C)[C@@H](CCO)C1 22852395 XKBRWAAPSFUISH-INIZCTEOSA-N 314.429 2.347 0 50 DEAA CO[C@H](C)CS(=O)(=O)Nc1ccc(Oc2ncccn2)cc1 253398654 YVSQEFALSDNRLK-LLVKDONJSA-N 323.374 2.046 0 50 DEAA CC[C@]1(C)C(=O)NCCN1Cc1cccc(Cn2cccn2)c1 67804901 IUITWGYAFJWBQJ-GOSISDBHSA-N 312.417 2.032 0 50 DEAA CCOC(=O)c1cnc2c(c(C)nn2C)c1NC[C@H]1CCCO1 302013675 BHNTZBONIXSSGH-LLVKDONJSA-N 318.377 2.044 0 50 DEAA CC[C@@H](C)Oc1cc(C(=O)N2C[C@H](C)[S@@](=O)[C@H](C)C2)ccn1 331116303 KWXIKMXWZHPJKR-OCWCGTNQSA-N 324.446 2.240 0 50 DEAA O=C(N[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCN(c2cnccn2)C1 252517454 IXNACUMJQSLFJQ-YESZJQIVSA-N 322.412 2.365 0 50 DEAA C[C@H]1CNCCN1C(=O)CCc1ccc(OC(F)(F)F)cc1 125766017 VZVZHTRSKXFTGQ-NSHDSACASA-N 316.323 2.338 0 50 DEAA Cc1cc(S(=O)(=O)n2ccnc2C)ccc1Br 36636413 WYISDHWHKDUWLY-UHFFFAOYSA-N 315.192 2.499 0 50 DEAA O=C(NC[C@]1(O)CCc2ccccc21)Nc1ccc(F)cn1 123299760 MBRYWNLHKLKMTK-MRXNPFEDSA-N 301.321 2.176 0 50 DEAA Cc1cc2c(N3C[C@H](O)C[C@@H]3c3cccc(F)c3)nccn2n1 281625249 HVAMEUBWWSKFBX-HUUCEWRRSA-N 312.348 2.489 0 50 DEAA CCN1Cc2ccccc2C[C@@H]1C(=O)N1CC(c2ccccn2)C1 72146648 SVKCXOIBPNJNKM-LJQANCHMSA-N 321.424 2.454 0 50 DEAA COCC[C@H]1COCCN1C(=O)c1cccn1C1CCCC1 360952061 VYKURQGXGXVKOE-HNNXBMFYSA-N 306.406 2.481 0 50 DEAA Cc1ccccc1NC(=O)c1nnc(CSCC(=O)O)s1 34927227 CEASZCUYVLKWMV-UHFFFAOYSA-N 323.399 2.417 0 50 DEAA Cc1cc(C)c(CCNC(=O)N[C@H]2CCC(=O)N(C)C2)c(C)c1 172351478 NPWBFUQYBUJOHL-HNNXBMFYSA-N 317.433 2.074 0 50 DEAA O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 333090201 OBMSQWLXDPZIGA-JLHDYFKBSA-N 307.434 2.107 0 50 DEAA C[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)[C@@H]1CN 156596662 GGEUMBACVIOAAL-RLWBPUTGSA-N 316.401 2.057 0 50 DEAA COc1ccccc1OCCC(=O)N1CCC[C@H]([C@H](C)N)C1 237141545 VZVQZMHUUZYWKE-KBPBESRZSA-N 306.406 2.050 0 50 DEAA CN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCNC1 237246683 SJBRZIWCAIFCSS-SECBINFHSA-N 315.186 2.156 0 50 DEAA CN(Cc1nc(-c2ccncc2)no1)Cc1cccc2nonc12 215759055 WYIVFXUJVJPBBP-UHFFFAOYSA-N 322.328 2.300 0 50 DEAA C[C@@H]1C[C@@H](N)CCN1C(=O)Cc1ccc(Br)s1 237478400 SYXIMZAWWGZUDC-BDAKNGLRSA-N 317.252 2.391 0 50 DEAA O=C(NC1CC1)N[C@H]1CCN(c2nc(C3CCCC3)ns2)C1 333901874 ZINFIPMFHQRYAH-LBPRGKRZSA-N 321.450 2.236 0 50 DEAA O=C(c1ncc(F)cc1F)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 282451356 HGWVRSRMLVAHNO-TZMCWYRMSA-N 322.286 2.447 0 50 DEAA Cc1ccc2cc(S(=O)(=O)N(C)[C@H](C)C(=O)O)ccc2c1 457348468 BZLSPUAVGCJVGI-LLVKDONJSA-N 307.371 2.242 0 50 DEAA Fc1cnc(N2CCC[C@H](c3ncc[nH]3)C2)nc1N1CCCC1 77303599 FECNRNBHWXFWHG-LBPRGKRZSA-N 316.384 2.323 0 50 DEAA Cc1ccc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c(C)c1 284512342 JFCDCUODWPYAII-ZWKOTPCHSA-N 316.445 2.406 0 50 DEAA O=C(NC[C@H]1CCCO1)c1ccc(-c2ccc(F)cc2)[nH]c1=O 71754939 JHDFHWQBCGJLMT-CYBMUJFWSA-N 316.332 2.090 0 50 DEAA COCc1cccc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 284616328 KROVPTIGUMLYGW-KURKYZTESA-N 305.418 2.195 0 50 DEAA Cc1ccc(C)c(SCC(=O)N2CCC(NC(N)=O)CC2)c1 174402545 ZUAYNXBCIOXJKI-UHFFFAOYSA-N 321.446 2.055 0 50 DEAA O=C(CC1(O)CCCC1)Nc1ccc(O[C@H]2CCOC2)cc1 175122461 RYXSWLHMZJSIOY-HNNXBMFYSA-N 305.374 2.488 0 50 DEAA O=C(Cc1cn2ccccc2n1)N1CCCC[C@H]1c1cc[nH]n1 286064066 RKFKEZRQFJZNST-HNNXBMFYSA-N 309.373 2.354 0 50 DEAA O=C(c1cnccn1)N1CCC(c2nccn2CC2CC2)CC1 82106351 SLQXTEALKUNKJN-UHFFFAOYSA-N 311.389 2.103 0 50 DEAA CCn1ncc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)c1C 426545115 SUCGAMUWJCPMKX-UHFFFAOYSA-N 321.446 2.247 0 50 DEAA CN(C(=O)NCCCn1ncc2ccccc21)C1CCOCC1 426422772 FQBIHGCRQYDXDO-UHFFFAOYSA-N 316.405 2.247 0 50 DEAA Cc1nn(C)c(C(=O)NCC2(O)CCC(F)(F)CC2)c1Cl 426409552 WHPMVERMRRUZFH-UHFFFAOYSA-N 321.755 2.052 0 50 DEAA CCCN1CCC(CC(=O)NC[C@H](O)c2ccc(F)cc2)CC1 95354948 CQIGSKYPVFPMCN-KRWDZBQOSA-N 322.424 2.487 0 50 DEAA CCOCC(=O)N[C@@H](C)c1cnc(-c2ccncc2)nc1C 92046966 MXCPRYIJLZYZNN-NSHDSACASA-N 300.362 2.061 0 50 DEAA CCOC(=O)c1nc[nH]c1C(=O)N1CCC[C@@H]1c1ccco1 97766616 JWZGJPVVVDGYCT-SNVBAGLBSA-N 303.318 2.157 0 50 DEAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc2c1OCO2 299744222 NZNLIEBQFQQIKG-DRZSPHRISA-N 317.341 2.273 0 50 DEAA Cc1nc(O)c(C(=O)N[C@H](CC(=O)O)CC(C)C)c(C)c1C 253537273 ISGNCQDAHFRAET-LBPRGKRZSA-N 308.378 2.332 0 50 DEAA Cn1ccn2ncc(C(=O)NCC3(COc4ccccc4)CC3)c12 534653665 AYITXEPIJMLMIT-UHFFFAOYSA-N 324.384 2.262 0 50 DEAA C[C@@H]1CCCCN1CC(=O)N1CC(OCc2cccc(F)c2)C1 299787296 UHRQHEZSWSXHEJ-CQSZACIVSA-N 320.408 2.428 0 50 DEAA CC[C@@H](NC(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccnn1C 299761174 VSOHRTTXWWUPEQ-GFCCVEGCSA-N 313.361 2.188 0 50 DEAA O=C(NCC1CCN(Cc2ccsc2)CC1)c1cncnc1 828202271 VXECEAISQPXVMD-UHFFFAOYSA-N 316.430 2.180 0 50 DEAA COc1ccc(NC(=O)Cc2c(C)noc2C)c2nonc12 824645533 MQBSCGNCYCZPFQ-UHFFFAOYSA-N 302.290 2.017 0 50 DEAA CCS(=O)(=O)N(C)CCc1nc2ccc(Cl)cc2[nH]1 670452932 SWZNVQJIJVTLOK-UHFFFAOYSA-N 301.799 2.040 0 50 DEAA O=C(CCc1cn[nH]c1)NC1CCN(c2ccccc2F)CC1 952988887 DYKBJRFOBBBKJS-UHFFFAOYSA-N 316.380 2.267 0 50 DEAA c1ccc(C[C@H]2[C@H](Nc3ncnc4[nH]cnc34)[C@H]3CCO[C@@H]23)cc1 1565508741 BDFHPQVFSFJAFF-HLPPOEQASA-N 321.384 2.411 0 50 DEAA CCOC[C@H]1CCN(C(=O)[C@@H]2CCN(Cc3ccccc3)C2)C1 408518090 TUXDBQVZPFZECF-ZWKOTPCHSA-N 316.445 2.394 0 50 DEAA CC[C@](NC(=O)c1cn(C)cn1)(C(=O)O)c1ccc(Cl)cc1 630172580 LQWSAEXCALKDTC-OAHLLOKOSA-N 321.764 2.193 0 50 DEAA CCc1nn(C)c(CC)c1CN1CCC[C@H]1Cn1ccnc1 170603118 KYPVFUDYEICXAV-AWEZNQCLSA-N 301.438 2.406 0 50 DEAA COCc1cc(NC(=O)N(C)CC2(O)CCCCCC2)ncn1 189180865 SKIPMUTWVRIETN-UHFFFAOYSA-N 322.409 2.172 0 50 DEAA CCOc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1 190004769 HFGVFXQCQLVGGT-JKSUJKDBSA-N 315.373 2.079 0 50 DEAA CC(C)(C(=O)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1)C(F)(F)F 1615827042 DSGMFEZTGRCOAI-XQVHRTOBSA-N 323.311 2.104 0 50 DEAA CC(C)O[C@@H](C)c1nnc2n1-c1ccccc1C(=O)N(C)C2 1772811516 VBUSTGIUKYDVCE-NSHDSACASA-N 300.362 2.339 0 50 DEAA Cc1cc(=O)[nH]c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1 5156642 CCKUEIYQKGCIQV-SECBINFHSA-N 314.370 2.168 0 50 DEAA COc1ccccc1CN1C(=O)O[C@@H]2CN(CC3CC3)C[C@@H]21 12209073 LOHLAQQYOOPJND-GOEBONIOSA-N 302.374 2.110 0 50 DEAA CN(C)c1ncccc1CNCc1cccn1-c1ncccn1 12703244 AWBSQQLKRFLMBI-UHFFFAOYSA-N 308.389 2.018 0 50 DEAA Cc1ccc(CS(=O)(=O)NCCCN2CCCCC2)cc1 13668285 KRCXNNQHCVCRTQ-UHFFFAOYSA-N 310.463 2.290 0 50 DEAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CC[C@@H](N(C)C)C1 1857673810 ZDCLBSIMHWAMEG-CQSZACIVSA-N 316.380 2.300 0 50 DEAA O=C(/C=C/c1ccccc1)N[C@@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857735989 KNDRXRPBSZGUFV-JWDBNDPNSA-N 312.413 2.068 0 50 DEAA CO[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc(F)c2)C12CCC2 416556978 GSAIXAVGFGMFCC-KGLIPLIRSA-N 313.394 2.203 0 50 DEAA COC[C@]1(C)CN(Cc2c(Cl)cccc2C(=O)O)CCO1 629380001 UXHONJGBYDYPBG-HNNXBMFYSA-N 313.781 2.276 0 50 DEAA Cc1ccccc1[C@@H]1CN(C(=O)c2csc(CN)n2)CCO1 237642581 UFBPDHCQLLFTTR-AWEZNQCLSA-N 317.414 2.124 0 50 DEAA C[C@H]1NCCC[C@H]1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 342648703 INDNSMPXOBIZES-RHSMWYFYSA-N 324.428 2.145 0 50 DEAA O=C(O)[C@H](F)C1CN(C(=O)[C@H]2C[C@@]23CCCc2ccccc23)C1 910126542 AVXHEQFTWALRMH-IIDMSEBBSA-N 317.360 2.162 0 50 DEAA Cc1cccn2cc(C(=O)N3CC[C@@H](OC(=O)N(C)C)C3)cc12 821045919 LNVFTXSKUVKSEM-CQSZACIVSA-N 315.373 2.160 0 50 DEAA Cc1nn(C)c(Cl)c1Cc1noc(C[C@H](C)n2ccnc2)n1 844868093 LLDJQPRKLLXKQY-VIFPVBQESA-N 320.784 2.356 0 50 DEAA CO[C@@H](C)C(=O)OC[C@@](C)(O)c1ccc(Br)cc1 864086990 PGFIXRAYDKKZJG-TVQRCGJNSA-N 317.179 2.235 0 50 DEAA CN(Cc1cc(Cl)c2c(c1)OCO2)[C@@H]1CC[S@@](=N)(=O)C1 1875273063 FMJJOALFNXCUGG-CFMSYZGJSA-N 316.810 2.320 0 50 DEAA CCc1ccc(S(=O)(=O)N2Cc3c[nH]nc3[C@H](C)C2)cc1 1875290628 UHPRDIHGVLQGQD-LLVKDONJSA-N 305.403 2.280 0 50 DEAA COc1ccccc1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875288580 NGZCWDLGEATHCV-WDEREUQCSA-N 315.373 2.371 0 50 DEAA CN1C(=O)CC[C@@H](NC/C=C/c2ccccc2)[C@@H]1c1nccn1C 886079305 FXMCWSYKJVXPEJ-KESHDOJXSA-N 324.428 2.385 0 50 DEAA Cc1cnc(NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)nc1C 1775959124 IJTXEKWRUCJRGK-OLZOCXBDSA-N 314.393 2.421 0 50 DEAA Cn1nnnc1[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)CCO1 2100555507 UTBDSHWJDYLCHT-HNNXBMFYSA-N 315.421 2.081 0 50 DEAA Cc1ccsc1C(=O)N1CCC[C@@H](n2ccc(C(=O)O)n2)C1 2325746391 CYHKUTZNDSAIPQ-LLVKDONJSA-N 319.386 2.429 0 50 DEAA Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c(C)cc1Cl 265771 YNUNTLUMSYLXOL-LLVKDONJSA-N 317.794 2.195 0 50 DEAA COc1cccc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)c1 615519 JTLXVGSLFYXRFS-CYBMUJFWSA-N 316.401 2.497 0 50 DEAA CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C)CC(=O)N2 4944187 NPWNETJDWZMQPQ-SNVBAGLBSA-N 301.371 2.274 0 50 DEAA OCCCCN1CCN(C[C@H]2CCc3ccccc3C2)CC1 23095229 SJVALVJEKQFIIB-KRWDZBQOSA-N 302.462 2.182 0 50 DEAA COC[C@H](c1ccccn1)N(C)C(=O)c1nc2ccccc2[nH]1 67833567 RJIHISAWRLAOAX-OAHLLOKOSA-N 310.357 2.418 0 50 DEAA O=C([C@@H]1CCCN1)N1CCc2onc(-c3cccc(F)c3)c2C1 67842822 GXBFHGOQNVXIEV-AWEZNQCLSA-N 315.348 2.117 0 50 DEAA CCCc1noc([C@H](C)N[C@@H]2CCN(C(=O)CC)C[C@H]2C)n1 252675533 UHEVMBATJAAUEU-FRRDWIJNSA-N 308.426 2.320 0 50 DEAA O=C(c1cc2c(s1)CCCCC2)N1CCOC[C@H](CO)C1 77555927 UWIMOQPGEORMEI-LBPRGKRZSA-N 309.431 2.098 0 50 DEAA CN(Cc1cnc(N(C)C)nc1)Cc1noc(C2CCCC2)n1 216455646 NKZDGYQQNOEALT-UHFFFAOYSA-N 316.409 2.215 0 50 DEAA COc1c(C)cnc(CN2CCC3(CC2)CN(C)C(=O)O3)c1C 77504927 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585117750 VRCCJHRVXBLXDK-VHSXEESVSA-N 319.236 2.404 0 50 DEAA Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](C(C)(C)O)C1 721837807 LYNCYHYCORAOJY-NSHDSACASA-N 317.838 2.430 0 50 DEAA O=C(O)C[C@@H](NC(=O)c1cc(O)ccc1Cl)C(F)(F)F 698798716 OICCLZBCSXFYPK-MRVPVSSYSA-N 311.643 2.181 0 50 DEAA C[C@@]1(c2nc(Cc3ccc(F)cc3Cl)no2)CCNC1=O 1615551860 QELMIXJCIKBJSG-CQSZACIVSA-N 309.728 2.231 0 50 DEAA CCCCOC(=O)[C@H](C)N[C@@H]1CCCO[C@H]1c1nccn1CC 1616034794 NTENYXGXNMPXKU-RRFJBIMHSA-N 323.437 2.445 0 50 DEAA O=C(CC1CC1)N1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529190453 JJCQWVGZCKLWOQ-CRAIPNDOSA-N 310.397 2.397 0 50 DEAA c1cc(CN2CCC[C@@]3(CCc4c[nH]nc43)C2)c2nonc2c1 1800411426 JSSUEPJMKZHPOM-QGZVFWFLSA-N 309.373 2.426 0 50 DEAA CC[C@@H](CO)NCc1cc(I)cs1 1775998302 WFURWKQYBFIEOT-QMMMGPOBSA-N 311.188 2.213 0 50 DEAA Cc1ncc(CN(CCO)CC[C@@H](C)CCCC(C)(C)O)[nH]1 1772701452 MNRQZVOAACSNOM-AWEZNQCLSA-N 311.470 2.480 0 50 DEAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(CC(C)C)C2)nn1 12036480 MLRRRZSZJOSCFQ-CQSZACIVSA-N 307.442 2.053 0 50 DEAA COc1ccc2[nH]c(=O)c(-c3nccn3-c3cnn(C)c3)cc2c1 1857682292 UWFPHEDOBUANTI-UHFFFAOYSA-N 321.340 2.123 0 50 DEAA COc1cc(C)c(-c2nccn2[C@H]2CCNC[C@@H]2O)c(C)c1C 1857731159 BDYOKAISSXCTFB-GJZGRUSLSA-N 315.417 2.379 0 50 DEAA Cc1cc(C(=O)N2CCC23COC3)c(C)n1Cc1ccncc1 615924104 UEWHBRBWYIJIAP-UHFFFAOYSA-N 311.385 2.163 0 50 DEAA CN1CC[C@@H](C(=O)N2CC=C(c3cccs3)CC2)CC1=O 117722862 CZDVUAWXUZHNGR-CYBMUJFWSA-N 304.415 2.232 0 50 DEAA CCn1cncc1CN[C@H]1CCO[C@@H]1c1ccnn1C(C)C 424092264 GWAATKYTRKMKJG-HOCLYGCPSA-N 303.410 2.300 0 50 DEAA CCCCc1noc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)n1 328619172 FPSHKALVCYWAHG-XJKSGUPXSA-N 319.409 2.074 0 50 DEAA CCn1ccnc1[C@H]1OCC[C@@H]1N=c1nc(C(C)(C)C)[nH]s1 328622159 IELSZYGXUWFYIX-QWRGUYRKSA-N 321.450 2.416 0 50 DEAA CCn1nccc1[C@@H]1OCCC[C@H]1CNCc1c(C)cnn1C 657582070 GDRKTHIFAMHHFN-WMLDXEAASA-N 317.437 2.202 0 50 DEAA COc1ccc(CCN2CCc3c(cccc3C(N)=O)C2)cc1 662302475 XUZRHKOPOGMYGT-UHFFFAOYSA-N 310.397 2.395 0 50 DEAA COc1cc(C(=O)O)ccc1CCNC(=O)[C@@]1(C)CC1(F)F 263157537 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DEAA CC[C@H]1CC2(CCC2)CN1C(=O)c1ccc2c(n1)NCC(=O)N2 2325804674 DSNHDCBXGPLJNC-NSHDSACASA-N 314.389 2.240 0 50 DEAA O=C1[C@H](Cc2ccc(O)cc2)NC(=S)N1Cc1ccccc1 80985 DMMKBZDAVZQUAL-HNNXBMFYSA-N 312.394 2.220 0 50 DEAA O=C(c1cccs1)N1CCN(C(=O)c2cccs2)CC1 198808 URZLGZSGBBNZCT-UHFFFAOYSA-N 306.412 2.408 0 50 DEAA Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1CC[C@@H](N(C)C)CC1 2356161742 HXJIRCUECPSJRJ-IYBDPMFKSA-N 320.481 2.206 0 50 DEAA CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1 4520217 QHGVZNIVOWUZER-JTQLQIEISA-N 316.386 2.092 0 50 DEAA CCc1nnc(SCC(=O)Nc2cccc(OC)c2)n1C 6727865 LYWZUXZSWBFNKM-UHFFFAOYSA-N 306.391 2.117 0 50 DEAA Cc1nn(CCc2nnc(-c3ccnn3C)o2)c(C)c1Cl 2786255 ZCPPUJSSVMIJEO-UHFFFAOYSA-N 306.757 2.180 0 50 DEAA Cc1cccnc1C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 348253748 DXTOIIYLNUMWMF-CABCVRRESA-N 300.333 2.477 0 50 DEAA O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1CCn1ccnc1 225450992 MGJWEUMCEXTWDN-UHFFFAOYSA-N 318.764 2.001 0 50 DEAA CN(C)C[C@H]1[C@@H]2CN(C(=O)CCC(=O)c3ccc(F)cc3)C[C@H]12 102875632 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N=C(O)C[C@H]1CCCCN1C(=O)c1coc(C2CCOCC2)n1 328758542 VZJQKKBGPIYBMZ-GFCCVEGCSA-N 321.377 2.489 0 50 DEAA Cc1ccc(OC2(C(=O)O)CCN(C[C@@H]3CCOC3)CC2)cc1 72426448 CCRWOOSVYKNJGV-HNNXBMFYSA-N 319.401 2.330 0 50 DEAA Cc1ccccc1C(=O)c1c[nH]c(C(=O)NCCCN(C)C)c1 5756179 XUAGFOUMNSRIAF-UHFFFAOYSA-N 313.401 2.236 0 50 DEAA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[C@H]1CCCC[C@H]1O 328651547 VZQVBAGBNCBPQP-DZJNRPSUSA-N 320.481 2.038 0 50 DEAA Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c(O)n1 282481350 JCFHWDKLMRBPTK-DZGCQCFKSA-N 316.332 2.183 0 50 DEAA O=C1CCCCN1[C@@H]1CCCN(Cc2ccc(CO)cc2)C1 361051867 LJLDFZJSKQJVDM-QGZVFWFLSA-N 302.418 2.156 0 50 DEAA COCCN1CCC[C@]2(CCN(CCCC(F)(F)F)C2)C1=O 12579624 IEWVHHYZCFHSFL-CQSZACIVSA-N 322.371 2.290 0 50 DEAA O=C(NCc1ccc(-n2ccnc2)nc1)N[C@H]1C[C@H]2CC[C@H]1C2 363417173 XTPLVBROTHUIIB-QEJZJMRPSA-N 311.389 2.255 0 50 DEAA Cn1nc(C(=O)N(CCO)CC2CCCCC2)c2c1CCCC2 450758980 PDPAVGISGRMDKY-UHFFFAOYSA-N 319.449 2.314 0 50 DEAA O=S(=O)(NC1CC1)[C@@H]1CCN(Cc2ccc3occc3c2)C1 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315.377 2.300 0 50 DEAA O=C(CCN[C@@H]1CCOC2(CCOCC2)C1)Nc1ccccc1 82097731 YCLFZQPMEXDARY-MRXNPFEDSA-N 318.417 2.333 0 50 DEAA Cc1cc(C)n(CCCC(=O)N2CCCC[C@H](N(C)C)C2)n1 82086903 NNNNKMLPXNLRHV-INIZCTEOSA-N 306.454 2.223 0 50 DEAA Cc1nc2ccccn2c1CC(=O)NCC[C@H]1CCCOC1 426726888 NNPOZRVQIFALND-CQSZACIVSA-N 301.390 2.118 0 50 DEAA CCc1cc(CN2CCC[C@@](CCCOC)(C(=O)O)C2)n[nH]1 91434928 NKWCPTHKDZFWOL-INIZCTEOSA-N 309.410 2.066 0 50 DEAA CCc1ncc(C(=O)N(C)Cc2cc(-c3ccncc3)no2)cn1 91746024 GRZIFSPYXSZLOY-UHFFFAOYSA-N 323.356 2.361 0 50 DEAA Cc1n[nH]c(CN2CCC[C@@H](c3cccc(C(=O)O)c3)C2)n1 95358638 DTHSWMWOFRUZJJ-CQSZACIVSA-N 300.362 2.191 0 50 DEAA COc1cccc(-c2cc(C(=O)N[C@@H](C)c3ncc[nH]3)[nH]n2)c1 92107907 KYAQDUISHBURSA-JTQLQIEISA-N 311.345 2.299 0 50 DEAA Cc1nc(CN2CCN(c3nnc(C(C)(C)C)o3)CC2)cs1 91587144 NNQDMMGOILXSPW-UHFFFAOYSA-N 321.450 2.454 0 50 DEAA C[C@@H](CSC(=O)C(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)O 95918248 PGOYKDKWLOXKLC-VHSXEESVSA-N 301.408 2.004 0 50 DEAA O=C(O)[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1c1ccc(F)cc1 92062009 CXFDDQAEDZCZFU-LSDHHAIUSA-N 314.316 2.161 0 50 DEAA COc1cccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c1OC 181194956 HAJNXWLKGCBEHZ-LBPRGKRZSA-N 316.361 2.189 0 50 DEAA Cc1nc(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)n(C)n1 244874194 WWGUYWUBSFGZSB-UHFFFAOYSA-N 314.368 2.080 0 50 DEAA Cc1cnn([C@H](C)CNC(=O)c2ccc(CN3CCCC3)o2)c1 534584543 OYCDNDYLYXWNAV-CQSZACIVSA-N 316.405 2.371 0 50 DEAA O=C(c1cccc(-n2cccn2)c1)N1CCC[C@@H](c2nc[nH]n2)C1 371909840 BCIXBGIRWOEZGU-CQSZACIVSA-N 322.372 2.010 0 50 DEAA Cc1nc(C(C)C)sc1CNC(=O)c1cc(CO)ccn1 299770588 SSICBODHYVWATJ-UHFFFAOYSA-N 305.403 2.392 0 50 DEAA O=C1CCCCCN1CCc1ncnn1CCc1ccccc1 828263776 NRHMZSJOVLWFLW-UHFFFAOYSA-N 312.417 2.466 0 50 DEAA COc1cccc(CN(C)C(=O)COC[C@@H]2CCCCO2)c1 584890781 UMINGMTZHJEFQD-INIZCTEOSA-N 307.390 2.239 0 50 DEAA O=C(c1cnc2c(c1)CCCC2)N1CCC(c2nc[nH]n2)CC1 670436801 AVKVAYAXXARZKF-UHFFFAOYSA-N 311.389 2.098 0 50 DEAA CC[C@@](C)(O)CN1CCC(n2cc(Br)cn2)CC1 242292542 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O=C(O)C1(n2cccn2)CCN(Cc2ccc3[nH]ccc3c2)CC1 72418933 TWELGQFVODUWKL-UHFFFAOYSA-N 324.384 2.440 0 50 DEAA CCSCc1cc(C(=O)Nc2ncc3c(n2)CCOC3)no1 602414286 OWWWEVXFJUFTNJ-UHFFFAOYSA-N 320.374 2.043 0 50 DEAA CC[C@@H](C)N(CC(=O)OC)C(=O)c1cc(O)nc2ccccc12 281412847 PQPBHCCGJOWTTQ-LLVKDONJSA-N 316.357 2.354 0 50 DEAA CCCc1cc(N2C[C@]3(CCCO3)[C@H]2C2CC2)n2ncnc2n1 328720049 GNMUEQSDJCSNBR-NVXWUHKLSA-N 313.405 2.225 0 50 DEAA Cc1ccn(-c2ccccc2NC(=O)NC2CCN(C)CC2)n1 151046582 HFNGRDKZUCUZKF-UHFFFAOYSA-N 313.405 2.396 0 50 DEAA C[C@](O)(CNc1ncnc2[nH]ncc12)c1ccccc1Cl 154311055 UJJSBJALNJWYDY-AWEZNQCLSA-N 303.753 2.326 0 50 DEAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cnn4c3CCCC4)C2)n1 72172485 FIWGSUFMVOMOIL-CQSZACIVSA-N 313.405 2.120 0 50 DEAA CCC(CC)(CC)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 72436921 NYTMHQCLHVTKML-CYBMUJFWSA-N 318.483 2.133 0 50 DEAA CCOc1cccc(CCNC(=O)N2CCC([C@@H](C)O)CC2)c1 155538717 JQPSQAGCRIVBRE-CQSZACIVSA-N 320.433 2.430 0 50 DEAA Cc1cn2c(n1)[C@H](CNS(=O)(=O)c1ccccc1F)CCC2 366701946 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CWZCAQRQRBLHCE-OAHLLOKOSA-N 302.374 2.064 0 50 DEAA Cc1cccc([C@@H](C(=O)NCC2(C(=O)O)CCCC2)N(C)C)c1 95502997 MENAKJBBHIVHHV-HNNXBMFYSA-N 318.417 2.359 0 50 DEAA Cc1nnc(CN(C)C(=O)c2cnc(-c3ccccc3)nc2C)o1 426370942 KBVPKGXAGDSJDF-UHFFFAOYSA-N 323.356 2.416 0 50 DEAA Cc1cc(C)c(S(=O)(=O)N2CCOc3ncccc32)s1 292468178 PMMBIHDYCLLBPP-UHFFFAOYSA-N 310.400 2.348 0 50 DEAA C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1ccc2c(c1)OCO2 239128725 KRGANEBWHQKIFL-CYZMBNFOSA-N 317.341 2.260 0 50 DEAA CC(C)N1CCC(CC(=O)NC[C@H](O)c2ccc(F)cc2)CC1 95358237 XBQGCGAJQXESIR-KRWDZBQOSA-N 322.424 2.486 0 50 DEAA COc1ccc(C(=O)CCC(=O)N2CC(C)(C)[C@](C)(O)C2)cc1 91381017 FNMDUSRGNZOVCF-GOSISDBHSA-N 319.401 2.278 0 50 DEAA CC(C)Cc1cc(CNc2cc([C@H]3C[C@@H](N)C3)ncn2)on1 244874911 XJMNRYHQQFIIOX-TXEJJXNPSA-N 301.394 2.480 0 50 DEAA NC(=O)C[C@H]1CCCN(C(=O)c2cscc2C(F)(F)F)C1 621897152 PVNUYZNDUPPLIW-MRVPVSSYSA-N 320.336 2.495 0 50 DEAA COc1ccc([C@H](NC(=O)NC[C@H]2CCCO2)C2CC2)cn1 624149441 HNMRGHNSRUKYHC-UKRRQHHQSA-N 305.378 2.020 0 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301.346 2.165 0 50 DEAA CCn1cc(CN(C)Cc2nc(C(F)(F)F)no2)c(C)n1 670461074 DNYABNJGSYURAO-UHFFFAOYSA-N 303.288 2.245 0 50 DEAA CC[C@H]1c2cccn2CCN1C(=O)CSc1nnc(N)s1 952975669 WSRMRTFBUGRVIF-VIFPVBQESA-N 323.447 2.007 0 50 DEAA COc1cnc(NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)s1 408520326 ZILMXKFHQJBDHM-MRVPVSSYSA-N 313.379 2.100 0 50 DEAA CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1ccc(O)nc1 278188950 DKQUHVIEDKPUPI-MRXNPFEDSA-N 306.362 2.125 0 50 DEAA CC[C@H](NC(=O)c1cn(C(C)(C)C)nc1C)[C@H](O)C(F)(F)F 273280698 STWWXVWUYCDZBB-QWRGUYRKSA-N 321.343 2.378 0 50 DEAA CC(C)(C)OC(=O)Nc1ccc(CN2CC[C@@H](C(N)=O)C2)cc1 585117221 VJVBICNBEHPKRY-CYBMUJFWSA-N 319.405 2.341 0 50 DEAA CN(C)CCCC(C)(C)NC(=O)C[C@@H]1NC(=O)c2ccccc21 585121380 NWMOCMUGKBEMDN-HNNXBMFYSA-N 317.433 2.098 0 50 DEAA Cc1ccc(Cl)cc1CNC(=O)N[C@H]1CCc2ncnn2C1 190163154 IGPNZGPHWDZTHB-ZDUSSCGKSA-N 319.796 2.054 0 50 DEAA O=C(Nc1cnns1)N1CCO[C@H](CCc2ccccc2)C1 192362119 IRHANVRNQZVUHB-CYBMUJFWSA-N 318.402 2.404 0 50 DEAA Cc1conc1CNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 1616037222 CUDQRGQXPGJXEB-CHWSQXEVSA-N 314.341 2.174 0 50 DEAA Fc1ccc(CN2CCN(CCn3cc(Cl)cn3)CC2)cc1 1529147168 VLPKJSFHWGAUII-UHFFFAOYSA-N 322.815 2.493 0 50 DEAA Cc1cnc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)cn1 1775980425 XKUGLWJUXYUXME-UHFFFAOYSA-N 306.329 2.006 0 50 DEAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC)cc1 18116313 YZSCTNNFIRCYLX-ZDUSSCGKSA-N 306.387 2.051 0 50 DEAA COC(=O)c1ccc(-c2nccn2CCc2cnn(C)c2)cc1 1857697429 AIPOCEKGMSWFDZ-UHFFFAOYSA-N 310.357 2.313 0 50 DEAA O=C1C[C@H]2N(C/C=C/c3ccc(F)cc3)CC[C@]23OCCCN13 1857722600 ZWJJWIVXLYHFIL-PVNZHHMZSA-N 316.376 2.262 0 50 DEAA COC(=O)[C@@H]1CCn2c(COc3ccc(Cl)cc3)nnc2C1 601043909 KDNBXPRVFVIEAQ-SNVBAGLBSA-N 321.764 2.246 0 50 DEAA CC(C)c1ccc(CCC(=O)N2CCO[C@H](CC(=O)O)C2)cc1 236636371 YBMYFMVZMKCCHR-MRXNPFEDSA-N 319.401 2.445 0 50 DEAA Cc1ccc(C(=O)NC[C@@H]2CCCN2C2CCCCC2)nn1 333146543 LXLSUGTTZAVZIL-HNNXBMFYSA-N 302.422 2.312 0 50 DEAA C[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CCN1 237721062 SSFACFLFNPUAPH-ZDUSSCGKSA-N 322.836 2.209 0 50 DEAA NC[C@H]1CCCN1C(=O)COc1cccc(C(F)(F)F)c1 238037027 UTQQTVBBHCAMIY-LLVKDONJSA-N 302.296 2.034 0 50 DEAA CCc1noc(CC)c1CC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)O)C1 366941135 PEIKCEKXNRYQAY-APPDUMDISA-N 320.389 2.055 0 50 DEAA CC(C)[C@H](C(=O)N1CC2(CNC(=O)O2)C1)c1cccc(Cl)c1 496162974 YSFIQMUYVDPPHJ-ZDUSSCGKSA-N 322.792 2.400 0 50 DEAA Cc1nc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c[nH]1 264709700 BFIKBNRVBOEVDS-UHFFFAOYSA-N 312.417 2.455 0 50 DEAA Clc1cnc(N2CCCC2)nc1-c1nc(-c2cc[nH]n2)no1 952992953 HPWAITORIPFYID-UHFFFAOYSA-N 317.740 2.170 0 50 DEAA C[C@H](CC(F)F)CS(=O)(=O)NCc1ccc2c(c1)OCO2 1775989633 RCCBPSNOECZQAH-SECBINFHSA-N 321.345 2.126 0 50 DEAA CCn1cc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)nn1 898527577 FGFPMUJIAXYYOJ-HNNXBMFYSA-N 300.410 2.237 0 50 DEAA CC(C)(C)OC(=O)N1CC[C@@H](NCc2cc[nH]n2)C12CCC2 858228403 ZEOAKSMLDGIGDI-CYBMUJFWSA-N 306.410 2.431 0 50 DEAA CNC(=O)c1ccc(N2CCC[C@@H]2c2cc(F)ccc2F)nn1 2325780778 OHRAXPUSJVNJDF-CQSZACIVSA-N 318.327 2.456 0 50 DEAA O=C(N[C@H]1CCCCCC1(F)F)N1CCC[C@H]1c1nn[nH]n1 2325781877 YFTBVHUMMANKDC-UWVGGRQHSA-N 314.340 2.014 0 50 DEAA CN(C(=O)c1cnc2cnccc2c1)[C@H](CN)c1ccccc1 2325858960 IAGHAKKRJBKTGX-QGZVFWFLSA-N 306.369 2.402 0 50 DEAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 64594 AEMGWUQPBAKYEE-AWEZNQCLSA-N 304.346 2.275 0 50 DEAA NC1=NC(=O)C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)S1 171510 FOTWJUUSRHQHDE-QMMMGPOBSA-N 318.185 2.279 0 50 DEAA O=C1OC[C@H]2CN(C(=O)C3c4ccccc4-c4ccccc43)C[C@@H]12 2356152399 HKIBZDMEZFLUKJ-SJKOYZFVSA-N 319.360 2.430 0 50 DEAA COC(=O)c1cc(OC)cc(C(=O)N[C@H]2CC[C@H](OC)CC2)c1 2356154774 JFIDRLGMPQXKNB-HDJSIYSDSA-N 321.373 2.169 0 50 DEAA CCCCNS(=O)(=O)c1cc(C)c2[nH]c(=O)cc(C)c2c1 10434473 IDEISGQZDQUDHE-UHFFFAOYSA-N 308.403 2.223 0 50 DEAA CN(C)[C@@H](CN1C(=O)[C@@H]2CCCCN2C1=O)c1ccccc1 225554241 DIGMCMWEGRJQSF-GJZGRUSLSA-N 301.390 2.106 0 50 DEAA Nc1nc(CCNC(=O)c2ccc([C@H]3CCCN3)s2)cs1 20452146 SXJPNBCEWUPBBH-SNVBAGLBSA-N 322.459 2.184 0 50 DEAA O=C(O)/C=C/c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100929942 LKTGYFJIGDZRSD-YBYSUKFMSA-N 309.321 2.096 0 50 DEAA COC1([C@H](C)NC(=O)c2cnc(C)nc2C(C)C)CCOCC1 421763831 WFSLGVFWYVAXOZ-LBPRGKRZSA-N 321.421 2.222 0 50 DEAA CCc1nc2ncc(-c3ccnc(N4CCCCC4)n3)c(C)n2n1 54201957 ZIYIXRRWCIZKAP-UHFFFAOYSA-N 323.404 2.442 0 50 DEAA CCCc1cc(N2CCN(C3CCOCC3)CC2)nc(C)n1 65410305 LYUYSHDIEKQINZ-UHFFFAOYSA-N 304.438 2.039 0 50 DEAA COC[C@H]1[C@H](NC(=O)CCCc2ccc(F)cc2)[C@H]2CCO[C@H]21 1074608583 VHOUISUNKBBPCV-CYGHRXIMSA-N 321.392 2.315 0 50 DEAA CCN(CCCN1CCCC1)C(=O)NCCN1CCC(C)CC1 252492277 MHDJTVSYGGLMMH-UHFFFAOYSA-N 324.513 2.236 0 50 DEAA CC(C)C[C@H]1CN(C(=O)C2(Cn3cccn3)CC2)CC[C@@]1(C)O 67643550 BEHQZPBMXZWARP-DOTOQJQBSA-N 319.449 2.309 0 50 DEAA Cc1nc(N(C)C)nc(NC[C@@]2(N(C)C)CCSC2)c1C 65466374 OSLJMNYOLGRGBU-HNNXBMFYSA-N 309.483 2.009 0 50 DEAA NC(=O)C[S@@](=O)C(c1ccc(F)cc1)c1ccc(F)cc1 66077055 YEAQNUMCWMRYMU-NRFANRHFSA-N 309.337 2.288 0 50 DEAA Cc1nc(N[C@H](CO)Cc2ccccc2)cc(C2CC(O)C2)n1 219839413 LFDGBAZRKVAFNE-PCKAHOCUSA-N 313.401 2.039 0 50 DEAA C[C@@](O)(CNC(=O)Nc1ccc(F)cn1)c1ccc(F)cc1 122338080 WNTFWHQFZWFXRA-OAHLLOKOSA-N 307.300 2.389 0 50 DEAA CCCn1cc(CN[C@H]2CCO[C@@H]2c2nccn2CC)cn1 328650565 VNXJXBKPXGOTDP-GJZGRUSLSA-N 303.410 2.129 0 50 DEAA O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@H]1C[C@@H](O)CN1 150692134 HJKXYMPLTAXZFC-LDYMZIIASA-N 323.805 2.125 0 50 DEAA Cc1nnc([C@H]2COCCN2C(=O)c2oc(C(C)C)nc2C)o1 328993629 FZIXXQCWVXHLPM-LLVKDONJSA-N 320.349 2.012 0 50 DEAA O=C(c1cc2c(cn1)OCCC2)N1CC[C@@H](C2CCOCC2)C1 359959503 OIBSFLKSWBFZRB-OAHLLOKOSA-N 316.401 2.295 0 50 DEAA C[C@H]1CNC(=O)CCN1Cc1cnc(C2CCCCC2)nc1 215565657 NUJXJWVNQHOKOC-ZDUSSCGKSA-N 302.422 2.235 0 50 DEAA c1coc(-c2nc3c(c(N[C@H]4CCSC4)n2)CCNCC3)c1 72435782 MIPXHPSTVZITNW-NSHDSACASA-N 316.430 2.342 0 50 DEAA COc1ccccc1N1CC[C@@H](NC(=O)c2scnc2C)C1 156922204 NYYAPHHNMSUNQL-GFCCVEGCSA-N 317.414 2.469 0 50 DEAA CCN1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 241693869 QIKRVBKPCNWHMZ-BZUAXINKSA-N 321.465 2.118 0 50 DEAA COc1cccc2c1N(S(=O)(=O)C[C@H](C)OC)CC[C@@H]2C 242001121 VDCHCWFNIROYHX-RYUDHWBXSA-N 313.419 2.374 0 50 DEAA CO[C@H]1C[C@@H](CO)N(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 456069339 YRMSTEUQSFKBKA-ZQDZILKHSA-N 309.793 2.052 0 50 DEAA CC(C)(O)CCc1ccc(C(=O)NCCc2c[nH]cn2)cc1 72478028 AFMLIKBNBWYASK-UHFFFAOYSA-N 301.390 2.086 0 50 DEAA CCN(CC)CCCNc1nccc(-c2cn(C)nc2C)n1 48112424 GTXLEGWIPWPLCV-UHFFFAOYSA-N 302.426 2.329 0 50 DEAA Cc1ccc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)n1 44394445 HARLXADZELAFCE-UHFFFAOYSA-N 311.263 2.209 0 50 DEAA O=C(NCCc1nc(-c2ccccc2)cs1)N1CCOCC1 426505763 KUMQQIWUHITENG-UHFFFAOYSA-N 317.414 2.394 0 50 DEAA O[C@H](CNc1cc(C(F)(F)F)ccn1)CN1CCCCC1 176795389 TZUOLZKKKJCMNZ-GFCCVEGCSA-N 303.328 2.359 0 50 DEAA Cc1nc(O)c(C(=O)N2CC(N3CCCCC3)C2)c(C)c1C 426574655 CJIWCQJASJHBFS-UHFFFAOYSA-N 303.406 2.023 0 50 DEAA COc1cccc(N2CN(Cc3ccco3)CNC2=S)c1 20352822 NQEASCFVSJPAFV-UHFFFAOYSA-N 303.387 2.400 0 50 DEAA O=C1CC[C@]2(CCCN(Cc3ccccc3)C2)CN1CCCO 82109123 ZVLVIDNJJRSVJX-IBGZPJMESA-N 316.445 2.274 0 50 DEAA CC[C@H]1CN(C(=O)c2conc2C2CC2)CCN1CC(F)F 291398792 IMAJCSNKUDNBGS-NSHDSACASA-N 313.348 2.354 0 50 DEAA CC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 239309402 HONQEFYUORJRCP-OVYBAWALSA-N 307.349 2.447 0 50 DEAA Cc1ccc([C@H]2CN(CC(=O)NCC3CCCCC3)C[C@@H]2N)o1 91493113 VLSDUFRGLJQKKP-HOTGVXAUSA-N 319.449 2.011 0 50 DEAA CCn1nc(C(=O)N2CC(Oc3cccc(OC)c3)C2)cc1C 91872103 SBSYRNWAPVDFMB-UHFFFAOYSA-N 315.373 2.123 0 50 DEAA CCN(CC)CC(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95367322 ZUOYKZUVGOGANB-INIZCTEOSA-N 318.417 2.433 0 50 DEAA CC(C)OC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 91736703 ZKEGJBYAJOAGGR-DZGCQCFKSA-N 317.389 2.163 0 50 DEAA C[C@@H]1CCCN(Cc2ccccc2CNC(=O)[C@@H]2CCNC2)C1 237472691 OPCQVHPGJXTIQO-NVXWUHKLSA-N 315.461 2.144 0 50 DEAA CC(C)(C)c1ccnc(N2CCC(C)(C)S(=O)(=O)CC2)n1 293214410 XUNKAHSGSLXIBG-UHFFFAOYSA-N 311.451 2.178 0 50 DEAA O=C(c1ccccc1-c1nc[nH]n1)N1CCC[C@@H](c2ncc[nH]2)C1 97716792 FIXZDDIXAQPRJW-GFCCVEGCSA-N 322.372 2.215 0 50 DEAA Cc1ncsc1CCN(C)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 91535620 ULUIMKDTUGMWAU-GFCCVEGCSA-N 323.462 2.099 0 50 DEAA COc1cccc(OCCN2CCC3(CC2)OCCC[C@@H]3O)c1 244708135 KOHRPOFVSYBNFS-KRWDZBQOSA-N 321.417 2.080 0 50 DEAA N[C@H]1C[C@@H](c2cc(N[C@H]3CC[C@H](O)CC3)nc(C3CC3)n2)C1 244748835 OPGITQCHKZOSHM-YXSUXZIUSA-N 302.422 2.274 0 50 DEAA CC(C)c1nc(CN(Cc2cocn2)Cc2cocn2)no1 252483658 FGPPVUZBDGWFRT-UHFFFAOYSA-N 303.322 2.371 0 50 DEAA Cc1nc(C2CCCC2)sc1C(=O)N1CCOC[C@H]1C(=O)O 299751154 PSXYXOFXPYRKPW-NSHDSACASA-N 324.402 2.035 0 50 DEAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)CCc1ccccc1F)CC2 299760486 UDGHKRQQFLSDKL-QILLFSRXSA-N 321.392 2.289 0 50 DEAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cccc(F)c1F)CC2 299775182 AMEJBUOHVKFXQD-YNZJMPHRSA-N 311.328 2.109 0 50 DEAA Cn1ccc2cc(CN3CCC(c4nc(N)n[nH]4)CC3)ccc21 827593176 ZCBMWBJDLNVRKK-UHFFFAOYSA-N 310.405 2.258 0 50 DEAA Cc1c(-c2ccccc2)[nH]c(S[C@@H](C)C(=O)N(C)C)nc1=O 185058858 VTBRACVNGDBFRV-NSHDSACASA-N 317.414 2.314 0 50 DEAA CCOC(=O)c1[nH]nc(C(C)(C)C)c1I 685949206 NKAQSWMOVRDWRX-UHFFFAOYSA-N 322.146 2.489 0 50 DEAA C[C@H]1C[C@H](NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)c2nccn21 390834617 IOYRUOACHLPKIN-SDDRHHMPSA-N 320.393 2.015 0 50 DEAA Cc1cc([C@H](NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)C(=O)O)ccc1F 630188166 FETHANDSNHRFMJ-SVBLFDIKSA-N 309.337 2.190 0 50 DEAA C[C@@H](CNC(=O)[C@H]1CC12CCOCC2)N(C)c1ccccc1 170018129 WKKNXSDNCRLVCS-GOEBONIOSA-N 302.418 2.444 0 50 DEAA O=C(NCC1CCN(CC(F)(F)F)CC1)c1ccccn1 189300795 XQOWSQRGZHVNJW-UHFFFAOYSA-N 301.312 2.086 0 50 DEAA CCCN1CCCN(C(=O)Nc2cnn(C(C)(C)C)c2)CC1=O 189704869 RNVQQNLNNIEWSB-UHFFFAOYSA-N 321.425 2.114 0 50 DEAA C[C@H](Oc1cccc2ccccc12)C(=O)NCc1nccc(N)n1 192845553 ZDIOJCZQTAWHSE-LBPRGKRZSA-N 322.368 2.296 0 50 DEAA COc1cc2c(cc1N[C@H](C)c1nc(C)no1)NC(=O)CC2 681024707 XDGNUPKJVMDIDR-MRVPVSSYSA-N 302.334 2.444 0 50 DEAA CCO[C@@H]1C[C@@H](Nc2cc(COC)ncn2)C12CCOCC2 681148906 FXAPJYYSMJUXKS-ZIAGYGMSSA-N 307.394 2.009 0 50 DEAA Cc1ccccc1[C@@H](O)CNC(=O)/C=C/c1cc(CO)cs1 1506423926 XTSQZAJYEZUAEO-MOEXGYKKSA-N 317.410 2.412 0 50 DEAA Cc1cccc(C(=O)Nc2csc3nc(=O)c(C)nn23)c1F 1529118219 GQESZIUBOZFOKT-UHFFFAOYSA-N 318.333 2.159 0 50 DEAA OC[C@H](O)C1CCN(Cc2ccc3cccc(Cl)c3n2)CC1 1772814114 KSAXLMGUIBMXHL-INIZCTEOSA-N 320.820 2.453 0 50 DEAA CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 16579442 SODROPXDDXGRNB-UHFFFAOYSA-N 323.245 2.071 0 50 DEAA Cc1nc(-c2cccc([C@H](C)N3CCCC3)c2)nn1CC(=O)O 1857721478 QLQPPNYXUSBLJQ-LBPRGKRZSA-N 314.389 2.495 0 50 DEAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CCC[C@H](O)C1 1857740705 VQYRCROWSWJPFW-ZDUSSCGKSA-N 303.337 2.121 0 50 DEAA C[C@]1(C(=O)O)CCCN1S(=O)(=O)c1ccc(Cl)c(F)c1 630446121 JAZIIQZGCVDVNN-GFCCVEGCSA-N 321.757 2.107 0 50 DEAA Cc1c([C@H]2OCC[C@@H]2NCCOc2cccc(F)c2)cnn1C 328616647 BXVJMLTZFRKNGO-DLBZAZTESA-N 319.380 2.366 0 50 DEAA C[C@@H](CN(C(=O)[C@H]1OCCc2ccccc21)C1CC1)C(=O)O 237457936 BMBMFYJPEWHBDO-NHYWBVRUSA-N 303.358 2.012 0 50 DEAA CCc1ccc(S(=O)(=O)Nc2cnoc2CC)cc1C(=O)O 337879259 WXGAVNSABPDNNT-UHFFFAOYSA-N 324.358 2.298 0 50 DEAA Cc1ccc(CN2CC[C@@H](N[C@H]3CCCn4nccc43)C2=O)cc1 657988510 ARGCSESCLKRPGT-DLBZAZTESA-N 324.428 2.417 0 50 DEAA CN1CCC[C@H]1CCN1CCOc2c(cccc2C(=O)O)C1 903928105 PRDHEJDSUYOMEL-AWEZNQCLSA-N 304.390 2.064 0 50 DEAA Cc1nc([C@@H](C)NC(=O)N2CC[C@H](Nc3ccccc3)C2)no1 1875258580 XDPTZGOGASHGQO-RISCZKNCSA-N 315.377 2.335 0 50 DEAA O=C(NOCc1ccccc1)[C@@H]1CCCO[C@H]1c1ncc[nH]1 1875266343 PQTRBFHFMWOJEN-ZIAGYGMSSA-N 301.346 2.125 0 50 DEAA Cc1cccc([C@H](NC(=O)c2ccnn2CC(F)F)C(=O)O)c1 1875313758 SVUFLLYFGJJWQA-ZDUSSCGKSA-N 323.299 2.012 0 50 DEAA Cc1cc(C(=O)NS(C)(=O)=O)c(C)n1[C@@H](C)c1ccccc1 1875390264 SALITAKLQJEYHX-LBPRGKRZSA-N 320.414 2.404 0 50 DEAA COc1ccc(NC(=O)[C@@H]2CCCO[C@H]2c2ncc[nH]2)c(C)n1 886074717 QKLUEQPHIWOBOU-BXUZGUMPSA-N 316.361 2.228 0 50 DEAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CC[C@@H](C(F)(F)F)C1 888017144 HMAHEIQXMYKKMI-LLVKDONJSA-N 310.279 2.496 0 50 DEAA O=S1(=O)CCC2(CCN(Cc3cnc(C4CC4)o3)CC2)CC1 888100511 ARKUJULICOZTIR-UHFFFAOYSA-N 324.446 2.343 0 50 DEAA CCn1cnnc1CCNc1cc(Br)cc(C)n1 892584057 HAIXJMAMZWQNKN-UHFFFAOYSA-N 310.199 2.419 0 50 DEAA C[C@H]1CN(C(=O)Cc2ccccc2Br)C[C@H](C)N1 153885920 BBYTVPWYYSCRCG-QWRGUYRKSA-N 311.223 2.200 0 50 DEAA Cc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c(=O)c1C 13119476 YKUXDPDPPRYGKW-UHFFFAOYSA-N 318.808 2.367 0 50 DEAA Cc1cc(C2CCN(C(=O)c3cc(C)c(=O)n(C)c3)CC2)on1 2325818051 VQAANJRKKWIOHT-UHFFFAOYSA-N 315.373 2.010 0 50 DEAA Cc1cc(N(C)C)nc(=NCc2ccc(-c3ccccn3)nc2)[nH]1 2325858728 YQUMNTRSUOJJPL-UHFFFAOYSA-N 320.400 2.342 0 50 DEAA O=C1[C@@H]2[C@@H](N=NN2Cc2ccccc2)C(=O)N1c1ccccc1 114796 XQKIMWNZIDYWMF-CABCVRRESA-N 306.325 2.180 0 50 DEAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(Br)c1 258540 GJFTWNZUYLMWMG-NSHDSACASA-N 324.174 2.500 0 50 DEAA Cc1cnc(Nc2ccnn2Cc2cccnc2)nc1N(C)C 2356159896 USKOBVXUOOCQDA-UHFFFAOYSA-N 309.377 2.234 0 50 DEAA Cn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1C1CC1 2647548 ISDLOHXKWWPLIF-UHFFFAOYSA-N 323.809 2.472 0 50 DEAA Cc1nnc(SCC(=O)NCc2ccc(Cl)cc2)n1C 6699381 SFAKOEGVNOVUJK-UHFFFAOYSA-N 310.810 2.185 0 50 DEAA CCOC(=O)[C@H]1CCCN(CCOc2cccc(OC)c2)C1 6701754 UVOIMGPLDNFPEN-AWEZNQCLSA-N 307.390 2.349 0 50 DEAA O=C(O)C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100874842 KIWDBTUOHANCFV-YOPIWALVSA-N 311.337 2.010 0 50 DEAA O=C1c2ccccc2C(=O)N1CCn1cnc(-c2ccccc2)n1 117558405 RPGQLBNZUFOMMW-UHFFFAOYSA-N 318.336 2.241 0 50 DEAA COc1ccccc1CN(C(=O)CCN1CCCO1)C1CC1 55199361 QQJCVUIZUBXNJA-UHFFFAOYSA-N 304.390 2.214 0 50 DEAA Cc1[nH]nc2ncc(C(=O)Nc3cccc(-c4nnc[nH]4)c3)cc12 114395788 DRWGVCFKZYRZIO-UHFFFAOYSA-N 319.328 2.304 0 50 DEAA C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCN(C)CC3)cc2)C1 20456580 UVNJKMFQBMDDQK-MRXNPFEDSA-N 315.461 2.306 0 50 DEAA COCCN1C(=O)c2ccccc2[C@@H](C(=O)O)C12CCCC2 26511204 NQJLEFPWJXQZDX-AWEZNQCLSA-N 303.358 2.270 0 50 DEAA biogenic COc1cccc(-c2nnc(CC(=O)n3nc(C)cc3C)o2)c1 409444233 WIVGIQMPLAVTIA-UHFFFAOYSA-N 312.329 2.441 0 50 DEAA COc1ccccc1CCNC[C@]1(O)CCCN2CCCC[C@@H]21 63844636 AVZXSCCUBYNHFH-RTBURBONSA-N 318.461 2.207 0 50 DEAA CCc1ccc2nc(-c3cnc(N4CCOCC4)nc3)[nH]c2c1 155065200 NBVHWINJCCRUAI-UHFFFAOYSA-N 309.373 2.419 0 50 DEAA CSCC[C@H](N)C(=O)N1CCC(Oc2ccc(C)cc2)CC1 77407872 KSIDORXTPMXQBU-INIZCTEOSA-N 322.474 2.445 0 50 DEAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)no1 33270354 ZDDBGPJUPIXOPZ-GFCCVEGCSA-N 311.363 2.114 0 50 DEAA Cn1cnnc1[C@@H]1CCCN1C(=O)c1coc(C2CCCC2)n1 328714021 CXCIHFUUYYWTHG-ZDUSSCGKSA-N 315.377 2.438 0 50 DEAA Cc1nn2c(NCc3nnn[nH]3)cc(-c3ccccc3)nc2c1C 72454287 RGZNXMYHZYJXKP-UHFFFAOYSA-N 320.360 2.138 0 50 DEAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2ccc(C)nc2)c1 282303186 BKEFNLZIZKODOP-WBVHZDCISA-N 312.369 2.347 0 50 DEAA CCCC[C@H]1NC(=O)N(CCOc2cccc(OC)c2)C1=O 154273185 BYWFBLFXIINJFG-CQSZACIVSA-N 306.362 2.185 0 50 DEAA O=C(Cc1ccsc1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 219329606 XXKZOCQMYIAGPY-ZIAGYGMSSA-N 318.398 2.038 0 50 DEAA Cc1cc2ncc(C(=O)Nc3cn(C)nc3C(C)C)c(C)n2n1 332233714 NJGVODWBRYIHSP-UHFFFAOYSA-N 312.377 2.455 0 50 DEAA C[C@@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)[C@@H]1CCCOC1 332903197 MMZZXNCUIPUECK-BXUZGUMPSA-N 300.362 2.017 0 50 DEAA C[C@@H]1C[C@@H](C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)CCO1 263107286 FVDSDTPMDKCCNR-OEAJRASXSA-N 317.385 2.128 0 50 DEAA O=C(NCCCc1ncc[nH]1)c1cc(-c2ccsc2)n[nH]1 222632414 ZISYPRNEQIVVTL-UHFFFAOYSA-N 301.375 2.224 0 50 DEAA CN(C(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1)C1CCCC1 241795478 RZMPXLHKEUESOE-HZPDHXFCSA-N 320.437 2.302 0 50 DEAA O=C(c1ncncc1Cl)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 339439370 PJZHQPJAHNVYHI-DGCLKSJQSA-N 321.739 2.217 0 50 DEAA O=C(NCC(F)F)N[C@H]1CCN(c2cccc(Cl)c2)C1 175673343 MCTUQYBEOQLXMB-JTQLQIEISA-N 303.740 2.483 0 50 DEAA CC(C)Cn1cncc1CNc1cc(C2CC(O)C2)ncn1 223380550 VFXLDAQFYZAYIY-UHFFFAOYSA-N 301.394 2.180 0 50 DEAA Cc1c(NS(=O)(=O)c2ccc3c(c2)CCCC3)cnn1C 176975064 WRPQUMRJQBDHIW-UHFFFAOYSA-N 305.403 2.408 0 50 DEAA O=C(NCCc1noc(C2CCC2)n1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 426571435 HMZPKGKCPVUMRH-OPTZYUCBSA-N 301.390 2.288 0 50 DEAA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)on1 220021547 LFEWODSRZUWCSE-GDBMZVCRSA-N 316.357 2.087 0 50 DEAA COc1cc(OC)c(CN(C)Cc2ccon2)c(C(=O)O)c1 97713476 ZKYHVUBVKUUARE-UHFFFAOYSA-N 306.318 2.022 0 50 DEAA Cc1ccc2c(C)c(C(=O)N[C@H]3CCC[C@H]3C(N)=O)oc2c1 91350558 QDLQYQFEINGUDR-OLZOCXBDSA-N 300.358 2.433 0 50 DEAA CC(C)N1CCC[C@H](C(=O)NCCc2ccc(C(=O)O)cc2)C1 95529652 PIAGMIQBAUVMGH-INIZCTEOSA-N 318.417 2.164 0 50 DEAA Cn1cc(CN(C(=O)COc2ccc(F)cc2F)C2CC2)cn1 92038760 BUDDALDFANSFNI-UHFFFAOYSA-N 321.327 2.268 0 50 DEAA O=C(NC1CC1)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 91365121 JVKHCVCQIYOBCX-OAHLLOKOSA-N 300.402 2.136 0 50 DEAA CN(CC1(CO)CCCC1)C(=O)[C@H](c1ccc(F)cc1)N(C)C 95362137 IQHSOPFQLNDJJC-INIZCTEOSA-N 322.424 2.440 0 50 DEAA COc1ccc(F)cc1[C@H](C)NC(=O)c1cc2n(n1)CCC2 294452943 MFXVLOFCNUDBJV-JTQLQIEISA-N 303.337 2.468 0 50 DEAA C[C@H](C1CCN(c2cc(C(=O)NC3CC3)ccn2)CC1)N(C)C 96151878 BEMLEDSXJBJUNM-CYBMUJFWSA-N 316.449 2.140 0 50 DEAA CN(C(=O)c1cnc(S)n1-c1ccccc1)[C@@H]1CCOC1 162610945 QIHJSKJLBQJRTD-GFCCVEGCSA-N 303.387 2.022 0 50 DEAA Cc1nccn1CCCN1CCN(C2CCSCC2)CC1 244884249 YIJYSTCKAOHUQG-UHFFFAOYSA-N 308.495 2.095 0 50 DEAA CO[C@H]1CCN(CC(=O)NCc2sccc2C)CC1(C)C 295908397 HJJYVDSGJPXPDA-AWEZNQCLSA-N 310.463 2.420 0 50 DEAA COc1cccc2c1ccn2CC(=O)N[C@H](CO)c1ccccc1 252482718 DMJOPOQQHSCEJS-MRXNPFEDSA-N 324.380 2.500 0 50 DEAA Cn1cc(NC(=O)NCc2ccc(C(=O)O)cc2)c(C2CC2)n1 263068228 POYYMKCHZRRPSM-UHFFFAOYSA-N 314.345 2.317 0 50 DEAA Cc1ncn(CCNC(=O)N2CCC3(CCOCC3)CC2)c1C 670439296 BJYMCXFAARLFSB-UHFFFAOYSA-N 320.437 2.102 0 50 DEAA Cc1csc(S(=O)(=O)N(C)CC2(CO)CCCC2)c1 670445259 JQEIHXCBZPUESP-UHFFFAOYSA-N 303.449 2.230 0 50 DEAA COc1ccnc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)n1 275792597 ZIOVESKWJNDSLJ-AWEZNQCLSA-N 313.405 2.439 0 50 DEAA CC[C@@H]1C=CCN1C1CN(S(=O)(=O)c2ccc(C)cc2)C1 952860250 JJFMCUBDYCCTQC-CQSZACIVSA-N 306.431 2.018 0 50 DEAA Cc1ccc2c(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)csc2c1 408330426 IYRYVKWUILDLFK-NSHDSACASA-N 323.439 2.469 0 50 DEAA C[C@H]1CN(C(=O)c2nccc3ccccc23)C[C@H](C)S1=O 408341683 IBZVRWLKPFQPSE-RYUDHWBXSA-N 302.399 2.216 0 50 DEAA Cn1c(=O)c(CNC[C@@](C)(O)c2ccco2)cc2ccccc21 1474030057 SEBCZMIXDNMWQE-GOSISDBHSA-N 312.369 2.129 0 50 DEAA CC[C@H](C(=O)Nc1cccc(C(F)(F)F)n1)N1CCCC1=O 170067269 ABVBEQLLEZEYBY-SECBINFHSA-N 315.295 2.440 0 50 DEAA CC1CCN(C(=O)c2ccc(N[C@@H]3CCC[C@@H]3O)nc2)CC1 170087802 OBWHYLDTZRBQQO-CABCVRRESA-N 303.406 2.279 0 50 DEAA CN(C(=O)c1ccco1)c1ccccc1C(=O)NCc1cc[nH]n1 170623155 DFCVZYBAQYLSSY-UHFFFAOYSA-N 324.340 2.209 0 50 DEAA COC[C@H](C)c1nc([C@H]2CC(=O)N(Cc3ccccc3)C2)no1 274125933 WVQJBFFPTZRRPC-JSGCOSHPSA-N 315.373 2.336 0 50 DEAA CC(C)N(CC1CCC1)C(=O)Cn1cnc2ccccc2c1=O 195146832 RVONTUVJYPHUKU-UHFFFAOYSA-N 313.401 2.434 0 50 DEAA Cc1csc2c(=O)n(CC(=O)NC3CCC(C)CC3)cnc12 195416882 MNQXGXXASMWCGE-UHFFFAOYSA-N 319.430 2.461 0 50 DEAA C[C@H](O)Cc1cn(Cc2ccc(Br)c(F)c2)nn1 722017065 SQGUCLDIXNHZPG-QMMMGPOBSA-N 314.158 2.151 0 50 DEAA Cc1cnc(CNC(=O)Nc2cccnc2N2CCCC2)nc1 583651354 LRJJDHFFXYZEMW-UHFFFAOYSA-N 312.377 2.102 0 50 DEAA CCOC(=O)c1cc(-c2ccc(C(=O)O)cc2)cn2ncnc12 584880557 FPAWUVGZLDNERC-UHFFFAOYSA-N 311.297 2.271 0 50 DEAA Cc1cc(C(=O)N(CCO)Cc2cccc(F)c2)cc(C)n1 1615590557 MHULVDUUDWNZFF-UHFFFAOYSA-N 302.349 2.472 0 50 DEAA Clc1cc(CNC2(c3ncon3)CC2)cc2c1OCCO2 1616034927 WOGQMPBSGWHXKF-UHFFFAOYSA-N 307.737 2.273 0 50 DEAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(-c2cc[nH]n2)cc1 1565512673 ZCJVULRSJXAXCZ-HOTGVXAUSA-N 315.373 2.001 0 50 DEAA O=c1[nH]c(Nc2ncccn2)nc2ccc(Br)cc12 12390975 VSFTXPABABCNKX-UHFFFAOYSA-N 318.134 2.219 0 50 DEAA CCNC(=O)N1CCC[C@H](C(=O)c2ccc(OC)c(OC)c2)C1 12442860 TZELZTNKGLUQHP-ZDUSSCGKSA-N 320.389 2.328 0 50 DEAA CC(C)CCC[C@@H]1CN(C(=O)CCN2CCCC2=O)CCO1 12709613 LXVJJWHULLTRHB-OAHLLOKOSA-N 310.438 2.053 0 50 DEAA O=C(NCCN1CCOCC1)c1c(Cl)cccc1Cl 19681267 OISANVMMVPYPRV-UHFFFAOYSA-N 303.189 2.055 0 50 DEAA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 4472357 OHRVXMWXRXFJBU-LBTPYSACSA-N 309.318 2.424 0 50 DEAA CCc1ccccc1OCc1nnc2n1CC[C@@H](C(=O)OC)C2 601044085 GJBLRQBHNKVHRZ-CYBMUJFWSA-N 315.373 2.155 0 50 DEAA Cc1ccc(C(=O)N2CCc3c(O)ncnc3C2)c(Cl)c1 408514649 MOYWJXCZTYJHOZ-UHFFFAOYSA-N 303.749 2.343 0 50 DEAA O=C(O)c1cccc(C(=O)NCCNC2CCCCCC2)c1 417813173 MBKZXPVTXRSKSX-UHFFFAOYSA-N 304.390 2.427 0 50 DEAA C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCCN(C(N)=O)CC1 127953464 VMKKODKGAQVGPU-LBPRGKRZSA-N 323.824 2.132 0 50 DEAA CCn1nnc(C)c1CN[C@H](C)[C@H](c1ccccc1)N(C)C 449251692 SIHLEJZJSWGITA-RHSMWYFYSA-N 301.438 2.387 0 50 DEAA COCCN(C(=O)c1cnn2ccncc12)[C@@H]1CC[C@H](C)C1 252488353 IPZMCWVJBQLEQH-QWHCGFSZSA-N 302.378 2.007 0 50 DEAA CCOc1cc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)ncn1 253396803 NVUAISFXRIGNRZ-KBPBESRZSA-N 303.337 2.327 0 50 DEAA O=C(C1=CCCCO1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 365661012 PNZSAQLQZIAUQI-GOSISDBHSA-N 319.376 2.274 0 50 DEAA Cc1c[nH]nc1CN1CCC(O)(Cc2cccc(F)c2)CC1 365657163 ZHETZMCLQSGYJN-UHFFFAOYSA-N 303.381 2.427 0 50 DEAA COCCC(=O)N(Cc1ccsc1)[C@H]1CC12CCNCC2 261774316 MNRLLPGLJDFPCY-AWEZNQCLSA-N 308.447 2.255 0 50 DEAA CN(CC(=O)O)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 901576932 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CC[C@H](C)Oc1cc(CNC(=O)Nc2cnn(C)c2)ccn1 182065440 BZGMKPAJMYBVPQ-NSHDSACASA-N 303.366 2.314 0 50 DEAA COc1cccc2c1ccn2CC(=O)N[C@@H](CO)c1ccccc1 252482717 DMJOPOQQHSCEJS-INIZCTEOSA-N 324.380 2.500 0 50 DEAA Cc1ccc(C(=O)N(C)C[C@@H]2CCCCO2)cc1OCCCN 299794980 LBGSWZPLBJQJOX-INIZCTEOSA-N 320.433 2.364 0 50 DEAA Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)c1cn[nH]c1 1362181107 ITODJIWJVSWGDJ-UHFFFAOYSA-N 304.375 2.405 0 50 DEAA COCC(=O)Nc1ccc(Cl)c(NC(=O)COC(C)C)c1 952870284 ZOAAFSNFSLWZIB-UHFFFAOYSA-N 314.769 2.288 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)C1 269184718 MDKOJFJKAZDPCV-QLFBSQMISA-N 303.358 2.087 0 50 DEAA CCOC(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 170626548 QBYINDNAJUUZNV-HZSPNIEDSA-N 311.426 2.295 0 50 DEAA O=C(C1=CCCCC1)N1CCS(=O)(=O)c2ccccc2C1 275978624 MHFUWENDVHBHCH-UHFFFAOYSA-N 305.399 2.303 0 50 DEAA CON([C@H](C)c1ccccc1C)S(=O)(=O)c1cnn(C)c1C 583651021 DIBDMFDQSUCAFA-GFCCVEGCSA-N 323.418 2.350 0 50 DEAA Cn1c(O)nc2cc(C(=O)NC[C@H]3CCOC(C)(C)C3)ccc21 584765000 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CC(C)OC(C)(C)CS(=O)(=O)NC[C@@H](C)c1nccs1 1615604630 CAVUQGHSQNFBFY-LLVKDONJSA-N 320.480 2.370 0 50 DEAA O=C(C1CCCC1)N1CC[C@H](c2ccc3c(c2)OCO3)[C@@H](O)C1 212646072 HDTWWAQPUKYYAC-CABCVRRESA-N 317.385 2.282 0 50 DEAA COc1cccc(/C=C2\SC(=O)N(CCC(=O)O)C2=O)c1 13739562 LKEUUXMNNQMEEH-FLIBITNWSA-N 307.327 2.206 0 50 DEAA Nc1nc2sc3c(c2cc1C(=O)N1CCOCC1)CCCC3 18149183 YKFHNXSNIOSLPQ-UHFFFAOYSA-N 317.414 2.230 0 50 DEAA Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2ccc(F)cc2)C1 169751757 JYNCDAHBGWCKFC-OAHLLOKOSA-N 317.364 2.435 0 50 DEAA O=C(CC1=CCCC1)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 223212230 LPOKUNAGGZYYGB-DJIMGWMZSA-N 300.402 2.380 0 50 DEAA CN(Cc1n[nH]c2c1CCCC2)[C@H]1CCOC2(CCNCC2)C1 1857680689 MPIJYYLGFYUAJX-AWEZNQCLSA-N 318.465 2.022 0 50 DEAA CC(C)[C@@H](C(N)=O)n1ccnc1-c1ccnn1-c1ccccc1 1857702763 BZKJHFQRIIPDQJ-HNNXBMFYSA-N 309.373 2.418 0 50 DEAA Cc1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)c(F)c1 1857722984 SIZQXOOBPLWXHF-KEYYUXOJSA-N 318.392 2.116 0 50 DEAA CNC(C)(C)c1cn(C2(c3ccc(F)cc3)CCOCC2)nn1 656437396 PTGGAWSSSSFQGS-UHFFFAOYSA-N 318.396 2.426 0 50 DEAA CCCn1nc(-c2nc(-c3n[nH]c4ccccc34)no2)ccc1=O 225595777 MWTPNEJOCADPOB-UHFFFAOYSA-N 322.328 2.247 0 50 DEAA COc1ccccc1[C@H]1CCC[C@@H](C)N1Cc1nnn(C)n1 329066703 LNJMOYYTWDGORE-TZMCWYRMSA-N 301.394 2.334 0 50 DEAA CC(C)c1occc1C(=O)N1CCC[C@H](c2nnc(N)o2)C1 636198393 VZGXYAWZYPMTFA-JTQLQIEISA-N 304.350 2.388 0 50 DEAA O=C(O)[C@@H]1CCCN(C(=O)CCCOc2ccccc2F)C1 136116680 IVOOKPPYVCWYRM-GFCCVEGCSA-N 309.337 2.308 0 50 DEAA CC[C@]1(C)COCCN1CC(=O)N(C)Cc1ccc(OC)cc1 253416261 LGVVUOXITDJBPH-GOSISDBHSA-N 320.433 2.155 0 50 DEAA C[C@H](CC(=O)N1CC[C@@H](CC(N)=O)C1)Cc1cccc(F)c1 377190268 MDINOWAFEYBSSK-JSGCOSHPSA-N 306.381 2.118 0 50 DEAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1nccs1 262415962 YZHGGXBTYQDKQP-TUAOUCFPSA-N 308.403 2.320 0 50 DEAA O=C(O)[C@H]1CCCCN1C(=O)c1cnc(-c2ccccn2)s1 159825075 QCVBVROTUDIXFA-LLVKDONJSA-N 317.370 2.284 0 50 DEAA O[C@@H](CN1CC[C@@H](n2cncn2)C1)c1cccc2ccccc12 815095895 VZYCSQUYWYAIDZ-QAPCUYQASA-N 308.385 2.412 0 50 DEAA CC(C)Oc1ccc(CCNC(=O)[C@H]2CCN(C)[C@H]2C)cc1 825441085 KFATTWDFTJOSDY-YOEHRIQHSA-N 304.434 2.473 0 50 DEAA O=C(NC[C@H]1CCCN1CC(F)F)Nc1ccn2ccnc2c1 931222840 OGWHVBCKTTYTKG-GFCCVEGCSA-N 323.347 2.185 0 50 DEAA Cc1nn(Cc2ncc(C3CC3)o2)c(C)c1[C@@H]1COCCN1C 852963642 WDSRWVUNASHGFO-AWEZNQCLSA-N 316.405 2.417 0 50 DEAA C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cccc2nsnc12 863947843 JFJNWIXFSMBNSO-VHSXEESVSA-N 307.375 2.214 0 50 DEAA Fc1ccccc1-c1noc(C2CN(C3CCOCC3)C2)n1 952881111 FFEQCRFFARXUNM-UHFFFAOYSA-N 303.337 2.454 0 50 DEAA COc1cc(C(=O)N2CC[C@](F)(c3ccccc3F)C2)ncn1 1875271703 KAYKDYVEXNHIMB-MRXNPFEDSA-N 319.311 2.335 0 50 DEAA c1cc2c(c(-n3cc(CO[C@@H]4CCCNC4)nn3)c1)CCCC2 1875272628 YRVQLWXIDNKBCN-MRXNPFEDSA-N 312.417 2.415 0 50 DEAA COC[C@@](C)(NC(=O)c1cc2cc(C)c(Cl)cc2[nH]1)C(=O)O 1875278075 WPKWXCCXCNGZRU-OAHLLOKOSA-N 324.764 2.349 0 50 DEAA CC[C@H]1CC[C@@H](C)N1C(=O)CS(=O)(=O)CCC(F)(F)F 1875278950 FKSKOSYUHXSOEQ-ZJUUUORDSA-N 315.357 2.143 0 50 DEAA CCc1c(C(=O)NCc2cccnc2)nnn1-c1ccccc1 1875342517 VGPVKMHTOBFXFL-UHFFFAOYSA-N 307.357 2.155 0 50 DEAA O=C(O)[C@H](Cc1ccccn1)NC(=O)[C@H]1CCCc2ccccc21 1875337901 ISAURTJNPXTOQB-IRXDYDNUSA-N 324.380 2.314 0 50 DEAA CS(=O)(=O)c1cccc([C@@H]2NC(=O)c3ccc(F)cc3N2)c1 877850081 ZLGDGTQNIKRJKE-AWEZNQCLSA-N 320.345 2.083 0 50 DEAA Cc1cccc(C(=O)NC2CCN(CCn3ccnc3)CC2)c1 879350777 RBQKFBANOVOADV-UHFFFAOYSA-N 312.417 2.086 0 50 DEAA COC[C@@]1(C(=O)O)CCCN1Cc1ccnn1C1CCCC1 886071882 NJLQPEKJQCYHLB-MRXNPFEDSA-N 307.394 2.064 0 50 DEAA Cc1nc([C@H]2C[C@@H](O)[C@@H](CNc3cnc4ccccc4n3)C2)n[nH]1 888078156 QPIGJZHYPSLVJH-LALPHHSUSA-N 324.388 2.023 0 50 DEAA Cc1cnnc(N2CCCN(Cc3nc(C)c(C)o3)CC2)c1 892366345 SVSRHCVXAKDLBV-UHFFFAOYSA-N 301.394 2.102 0 50 DEAA COc1ccc(C2=NO[C@H](CN[C@@H]3C[C@H](C)O[C@H]3C)C2)cc1F 895503804 COGXFQNVFGKACI-TZQJONAQSA-N 322.380 2.483 0 50 DEAA Cn1ccc(C(=O)NC(C)(C)COCc2ccccc2)cc1=O 253395852 SXIVVUHZHOGNQC-UHFFFAOYSA-N 314.385 2.111 0 50 DEAA O=S1(=O)CC2(CCN(Cc3cccc4ccoc34)CC2)C1 2325775418 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318.417 2.433 0 50 DEAA O=C(c1cnc(C2CC2)nc1)N1CCN[C@H](c2ccccc2)C1 97360217 RKPKITAPVPRAQL-INIZCTEOSA-N 308.385 2.141 0 50 DEAA Cc1nc2c(N3CC[C@](O)(c4ccccc4C)C3)ncnc2o1 92046945 DACFFEOJTXFUAU-QGZVFWFLSA-N 310.357 2.333 0 50 DEAA Cc1cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)nn1C(C)(C)C 179352836 FVDUFVOLBMVLOR-CYBMUJFWSA-N 316.409 2.432 0 50 DEAA Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C(=O)O)C(C)C 236626674 IHFZHIBCCOSULY-CYBMUJFWSA-N 322.386 2.479 0 50 DEAA CC[C@H](C)CONC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 293589629 BNRSJIQJHJVVPK-ZDUSSCGKSA-N 317.389 2.259 0 50 DEAA COCC(=O)N1CCC[C@@H](c2nc(C)nn2C2CCCCC2)C1 96161300 KLBLPAYHXJNWOZ-CQSZACIVSA-N 320.437 2.444 0 50 DEAA C[C@@H]1CCCCN1C(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 299742951 KYSLOSBUXAHLOF-TUVASFSCSA-N 308.422 2.105 0 50 DEAA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)[C@@H]1CC[C@H](N)C1 299738827 HADQTNJAMIIKJF-FITYOTRXSA-N 302.418 2.491 0 50 DEAA CCN(CC(=O)Nc1ccccc1NC(C)=O)CC(F)(F)F 252490422 KTAOCFFOZLJKBR-UHFFFAOYSA-N 317.311 2.468 0 50 DEAA 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CC(C)OCCNC(=O)[C@@H]1CC(Cc2cccc(F)c2)=NO1 11882145 COZRUWRCWFKAKK-HNNXBMFYSA-N 308.353 2.054 0 50 DEAA Cc1cccc(C)c1[C@H](C)NC(=O)N1CC[C@@H](S(C)(=O)=O)C1 252493922 NGMWQXPCHSUBFZ-UONOGXRCSA-N 324.446 2.193 0 50 DEAA CC[C@@H](O)[C@@H](C)C(=O)NCc1nccn1CCc1ccccc1 585121594 TVVLZKFRPCFONB-GDBMZVCRSA-N 315.417 2.149 0 50 DEAA CC(=O)N1CCO[C@@H](C(=O)Nc2cccc3ccsc23)C1 935052988 WTFXAJACWLUNAG-CYBMUJFWSA-N 304.371 2.087 0 50 DEAA Cc1cccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)n1 1866199535 FPKKVLIKPIVUSG-UHFFFAOYSA-N 304.375 2.109 0 50 DEAA C[C@H](N[C@@H](C)[C@@H]1C[C@H]1c1cccs1)[C@@H]1CN(C)CCN1C 952963223 DVWHMOUZHWLUOE-GVRJEKJASA-N 307.507 2.464 0 50 DEAA Cc1nscc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1875280875 DRPBQCQQULEVLH-UHFFFAOYSA-N 312.372 2.024 0 50 DEAA C[C@@H]1CCN(C(=O)/C=C/c2ccc3occc3c2)S1(=O)=O 1875309846 QFZSFOWQSBMTSI-JOAKQRRISA-N 305.355 2.397 0 50 DEAA N[C@]12C[C@H]1CN(c1ncnc3c(-c4ccccc4)nsc13)C2 1165316869 RZQYIBLDEWXKBM-ZBEGNZNMSA-N 309.398 2.291 0 50 DEAA CC(=O)N1CCC[C@H](c2nnc(/C=C/c3ccnn3C)o2)[C@@H]1C 886084504 CLVLKJNERKXVNG-MEQIJJHFSA-N 315.377 2.088 0 50 DEAA Cn1ccc(-c2noc(/C=C/c3ccc(C4OCCO4)o3)n2)n1 1775999585 PFVZAYJXCHURFY-HWKANZROSA-N 314.301 2.279 0 50 DEAA Cc1ccn(-c2ccc(N3C[C@H]4C[C@]4(C(F)(F)F)C3)nn2)n1 1776002708 SIYWNFAXIBHYLX-MFKMUULPSA-N 309.295 2.359 0 50 DEAA Cn1cnnc1SCC(=O)Nc1ccc(Cl)cc1F 37417 SSZFMPHYUUQRTL-UHFFFAOYSA-N 300.746 2.338 0 50 DEAA O=C(O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 12377443 NADTWWWCPKHBGR-UHFFFAOYSA-N 323.395 2.193 0 50 DEAA biogenic,in-vitro Cc1ncn(-c2ccc(NC(=O)[C@@H]3C[C@@]34CCNC4)cc2)c1C 2325795696 UDCVJGLXWGRPBZ-FUHWJXTLSA-N 310.401 2.427 0 50 DEAA Cn1cc(CNCc2csc(-c3ccco3)n2)ccc1=O 2325859227 ROGDTCMCYCXDRA-UHFFFAOYSA-N 301.371 2.392 0 50 DEAA COC[C@@H](NC(=O)c1c(C)cc(C)nc1C)C1CCOCC1 906022293 MKHOZYSDTUIAEE-OAHLLOKOSA-N 306.406 2.178 0 50 DEAA CCN1CCN(C(=O)c2cc(F)ccc2-n2cccn2)[C@H](C)C1 341791657 RSDPVTRFUMXPRP-CYBMUJFWSA-N 316.380 2.178 0 50 DEAA COc1ccc(S(=O)(=O)NCc2ccccn2)c(C)c1C 621561 TZYSNQFGOMRSEY-UHFFFAOYSA-N 306.387 2.186 0 50 DEAA CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)OCc1ccccc1 2386087 YQTGYJUMDNISEP-ZDUSSCGKSA-N 309.362 2.006 0 50 DEAA CC(C)c1nc(O)ccc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 2356153068 PJDGPZXCRACAGD-WMLDXEAASA-N 312.369 2.299 0 50 DEAA Cc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2)n1 4271398 VIIPBNHBAJJNNE-UHFFFAOYSA-N 304.371 2.193 0 50 DEAA O=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccccc1 109758374 BTKGMDYIBINGHO-AAEUAGOBSA-N 302.296 2.013 0 50 DEAA O=C(NS(=O)(=O)CCC(F)(F)F)c1coc2ccccc12 225474195 NRQLNHCDHSPAGF-UHFFFAOYSA-N 321.276 2.445 0 50 DEAA COc1c(C)cnc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1C 345784594 BNIUODXPNDIJGC-USXIJHARSA-N 320.433 2.069 0 50 DEAA O=S1(=O)CC[C@@H](CCN2CCc3c([nH]c4ccccc34)C2)C1 20862143 JXQGWAARXODSDV-CYBMUJFWSA-N 318.442 2.351 0 50 DEAA Cc1nc(N)sc1CC(=O)NC[C@H]1CCN(CC(C)(C)C)C1 67603818 XYVDXEHJXWCUFV-GFCCVEGCSA-N 324.494 2.060 0 50 DEAA CNc1ccnc(N2CCc3cc(OC)c(OC)cc3C2)n1 65454694 RFMAXNHNOHFTBU-UHFFFAOYSA-N 300.362 2.098 0 50 DEAA CCn1nc(C)c([C@@H](C)Nc2cc(CCN)nc(C)n2)c1C 67886096 RFOZGORPTQSCRE-SNVBAGLBSA-N 302.426 2.293 0 50 DEAA CCc1occc1C(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1 234207631 DBBBJFSGLGYXDV-LBPRGKRZSA-N 305.252 2.321 0 50 DEAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC(c2ccncc2)CC1 67885463 IMIUFVDUCLNDNX-UHFFFAOYSA-N 317.776 2.443 0 50 DEAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)CCc1cnn(C)c1 72430736 PNUJYCIJWIGEAZ-UHFFFAOYSA-N 323.400 2.197 0 50 DEAA O=C(N[C@H]1CCCN(c2ccccc2)C1=O)N1CCC(F)(F)C1 331561148 BMZQWBGSRJSAFU-ZDUSSCGKSA-N 323.343 2.233 0 50 DEAA C[C@@]1(CNC(=O)c2cc(F)cc3nc(S)[nH]c23)CCCO1 153325409 RPAHIUNLJLYUKN-AWEZNQCLSA-N 309.366 2.290 0 50 DEAA O=S1(=O)CCCN1[C@@H]1CCCN(CCCC2CCCC2)C1 365319634 QGKOCJVIVRNSCI-MRXNPFEDSA-N 314.495 2.457 0 50 DEAA CC(C)(C)n1cc(CN[C@]2(CO)CCOc3ccccc32)cn1 282219906 DVHKLOAYUNNVGH-SFHVURJKSA-N 315.417 2.398 0 50 DEAA COCCN1CCN(Cc2cnc(C3CCCCC3)nc2)CC1 216259838 GBQYYFBGLGAKHD-UHFFFAOYSA-N 318.465 2.288 0 50 DEAA O=C(c1cccc2cccnc12)N1CCC[C@H]1Cn1cncn1 369267350 QECLRXIJCSMKKS-AWEZNQCLSA-N 307.357 2.131 0 50 DEAA N[C@H]1CCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C1 237851914 UMWQNDPLOOIUPD-NSHDSACASA-N 324.306 2.064 0 50 DEAA O=C(NCCCc1ccccc1)N1CCC[C@]2(CCNC2)C1 416792520 CFIKVUDKKMSEKW-GOSISDBHSA-N 301.434 2.404 0 50 DEAA Cc1cc2nc(C(C)C)cc(N[C@H]3CCC[C@H]3C(N)=O)n2n1 72473310 RZEULLHBUWSOJC-NEPJUHHUSA-N 301.394 2.227 0 50 DEAA CC1(C)NC(=O)CC[C@H]1NC1CCN(CCC(F)(F)F)CC1 338779068 MWBGZBNRUIGFDY-GFCCVEGCSA-N 321.387 2.050 0 50 DEAA C[C@@H](C1CCN(Cc2ccc(O)cc2)CC1)N1CCOCC1 72473641 QWSKIDYNMAWGSU-HNNXBMFYSA-N 304.434 2.325 0 50 DEAA Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccsc3)C2)n1 285175372 MOFKYFXDQHXLES-SNVBAGLBSA-N 313.404 2.008 0 50 DEAA O=C(CN1CCCCCCC1)N1CCC(Cn2ccnc2)CC1 222295296 OTEIYRUWPRHGQN-UHFFFAOYSA-N 318.465 2.388 0 50 DEAA CCc1cnc(CNC(=O)NCc2ccn3ccnc3c2)s1 177964023 HROFWUXWWGPCRA-UHFFFAOYSA-N 315.402 2.353 0 50 DEAA COc1ccc2c(C(=O)N3CCC[C@H]3CO)cc(C)nc2c1 426584031 NMVKODKCSKSEDV-LBPRGKRZSA-N 300.358 2.149 0 50 DEAA CCn1nc(NC(=O)Cn2ccc(C(C)=O)n2)c2ccccc21 48351500 MUECMSJJTBHIQI-UHFFFAOYSA-N 311.345 2.094 0 50 DEAA CCc1cnccc1-c1noc(C[C@H]2CCCS(=O)(=O)C2)n1 293232647 QTTGXDVDTPJXHK-LLVKDONJSA-N 321.402 2.061 0 50 DEAA Cc1noc(C)c1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 91551706 SSWXJYKKBQWIST-PXAZEXFGSA-N 308.422 2.291 0 50 DEAA Cc1[nH]nc(CN2CCCN(Cc3cccnc3)CC2)c1Cl 97815065 WDNVQLOIKCCNMX-UHFFFAOYSA-N 319.840 2.474 0 50 DEAA CCn1nc(CC(C)C)cc1C(=O)N1CCCCC[C@H]1CO 91320914 WFESVFHNRUVCTG-HNNXBMFYSA-N 307.438 2.479 0 50 DEAA O=C(Nc1ccc2c(c1)COC2)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 95511803 UQRIUMNFIZCREI-SYMSYNOKSA-N 300.358 2.358 0 50 DEAA c1cc(N2CCOCC2)ccc1-c1nc([C@H]2CCOC2)no1 96151529 YYHYHHZRMSGIQD-ZDUSSCGKSA-N 301.346 2.077 0 50 DEAA COCCC[C@]1(CO)CCCN(C(=O)Cc2cccs2)C1 91793933 VVEVRKCHHCKZEX-MRXNPFEDSA-N 311.447 2.318 0 50 DEAA CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNCc2ccccc2)C1 242677030 SVSJLQFWKYTFNL-HUUCEWRRSA-N 306.406 2.004 0 50 DEAA Cc1n[nH]c(-c2ccc(F)cc2)c1CC(=O)N[C@@H](CO)C(C)C 252497493 QJMDKUXZFKJMJW-HNNXBMFYSA-N 319.380 2.200 0 50 DEAA CC[C@H](NC(=O)CCn1nnc2ccccc21)c1cccnc1 534576658 FMDICVYJXILEOB-AWEZNQCLSA-N 309.373 2.484 0 50 DEAA CCc1ccccc1OC1CN(C(=O)NC[C@H](CC)N(C)C)C1 534667893 DEOHENMPMLSUHN-HNNXBMFYSA-N 319.449 2.362 0 50 DEAA CCC(=O)c1ccc(OCC(=O)Nc2cnn(C)c2C)cc1 362655732 YYBYCLBZSXRHEL-UHFFFAOYSA-N 301.346 2.339 0 50 DEAA Cc1ccc2[nH]c([C@H](NC(=O)c3n[nH]nc3C)C(C)C)nc2c1 299783021 NRBUUERFRNKNDA-CYBMUJFWSA-N 312.377 2.425 0 50 DEAA Cc1cc(C)nc(CN(C)C(=O)CCN2CCCCCC2=O)c1 952965368 RJWSGLYPEVPCOK-UHFFFAOYSA-N 317.433 2.450 0 50 DEAA Nc1ncccc1CN1C[C@@H]2CC[C@H]1CN(Cc1ccncc1)C2 1565530747 SGJDPULYBWOACU-AEFFLSMTSA-N 323.444 2.155 0 50 DEAA CC(C)Oc1nccnc1N1CCC(C(=O)N2CCCC2)CC1 302128519 BKFCYCFYBFHAEU-UHFFFAOYSA-N 318.421 2.103 0 50 DEAA O=C(Nc1[nH]c(=O)ncc1F)[C@@H]1C[C@H]1c1ccc(Cl)cc1 170605948 BVCCAEZBIUHECP-VHSXEESVSA-N 307.712 2.305 0 50 DEAA COCC[C@H](CN1CCC=C(F)C1)NC(=O)OC(C)(C)C 583651229 JEZTYQAUQGXMCL-CYBMUJFWSA-N 302.390 2.475 0 50 DEAA O=C1CC(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)C1 585079613 YXJORQTTZOYJRG-ZDUSSCGKSA-N 315.417 2.410 0 50 DEAA CSC[C@H](C)C(=O)N[C@@H](CO)c1csc(C(C)C)n1 585130600 WCMPNRYRUDFZSG-UWVGGRQHSA-N 302.465 2.415 0 50 DEAA Cc1nnc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)o1 585121443 PKXUZEZKHKOEGH-ZDUSSCGKSA-N 314.389 2.115 0 50 DEAA Cc1cnccc1CNC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@H](C)C1 187457898 NGLKFJZDZQOCNZ-UXLLHSPISA-N 319.449 2.140 0 50 DEAA CC/C(C)=C(\C)C(=O)N1CCCC[C@H]1c1n[nH]cc1C(N)=O 685942222 OOEOGLMOWRYIMX-NHAQELONSA-N 304.394 2.309 0 50 DEAA O=C(C[C@@H]1C=CCC1)N1CCC[C@H](c2nnc3n2CCC3)C1 194292626 XZSIUTGXLZAZEN-KGLIPLIRSA-N 300.406 2.287 0 50 DEAA C[C@@H]1COCC[C@H]1c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 194892807 YNTAXJWPEBNAOK-ZWNOBZJWSA-N 322.386 2.280 0 50 DEAA O=C(C[C@@H]1CCc2ccccc21)N[C@H](Cc1ccncc1)C(=O)O 655599269 SVGAAOIVMNCKSU-DOTOQJQBSA-N 324.380 2.314 0 50 DEAA COCC(=O)Nc1ccc(NC(=O)C[C@H]2CCCOC2)cc1 792962957 LPTCIEUZJRETJQ-GFCCVEGCSA-N 306.362 2.027 0 50 DEAA CN1C(=O)C[C@@H](CNC/C=C/c2ccccc2)[C@@H]1c1nccn1C 671435209 LMJKRXINXVULSJ-SEHGVRFQSA-N 324.428 2.243 0 50 DEAA Cc1cc(C)n(CCC(=O)N2CCC(c3cc(C)[nH]n3)CC2)n1 760428562 UFIALIYWXCQEFC-UHFFFAOYSA-N 315.421 2.328 0 50 DEAA Cc1cc(NC[C@@H]2CN(C)CCN2C)nc2ccc(F)cc12 1506401291 CJVYAKLSEYXSQG-CQSZACIVSA-N 302.397 2.340 0 50 DEAA CC[C@H](C(=O)Nc1c(N2CCCC2)nn(C)c1C)n1cccn1 1506395870 OQEVUMXORLTDPP-CYBMUJFWSA-N 316.409 2.115 0 50 DEAA COc1c(Cl)cc(Cl)cc1CN1CC[C@H](CO)[C@@H](O)C1 1857736215 FLSSOAWRLMSSIE-RNCFNFMXSA-N 320.216 2.177 0 50 DEAA COc1ccc2nc(CNc3ncc(C(C)=O)c(C)n3)[nH]c2c1 1704312571 VLUUPDTZXFVRNG-UHFFFAOYSA-N 311.345 2.485 0 50 DEAA Cc1cccc(N2CC[C@H](CNc3nnc(CN(C)C)o3)C2)c1 1772708378 ASFRQLWONAFOGE-CQSZACIVSA-N 315.421 2.378 0 50 DEAA O=C(O)CCC(=O)Nc1cccc(C(=O)NCc2ccco2)c1 12138876 ZDLSWZSPPFVYCS-UHFFFAOYSA-N 316.313 2.013 0 50 DEAA O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2ccn[nH]2)C1 12242455 OXKWVGHENICZMW-ZDUSSCGKSA-N 313.357 2.201 0 50 DEAA CC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1 12862652 YNERADGKLGEFMF-SNVBAGLBSA-N 302.359 2.017 0 50 DEAA CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(C)CC2 14537792 VIBCVOUCVIVZPG-UHFFFAOYSA-N 309.454 2.417 0 50 DEAA COc1ccc(N2C(=O)C[C@H](N(C)Cc3ccccc3)C2=O)cc1 18190507 TWZGVPCEZMHBEA-KRWDZBQOSA-N 324.380 2.459 0 50 DEAA O=C1CCOC2(CCN(Cc3cccc4[nH]ccc34)CC2)CN1 1857741106 COYCWFSMTDFVQH-UHFFFAOYSA-N 313.401 2.039 0 50 DEAA O=C(c1ncccc1O)N1CCO[C@]2(CCc3ccccc32)C1 119376931 QTJBWDCXFQOVEC-GOSISDBHSA-N 310.353 2.101 0 50 DEAA C[C@H](COc1ccc(F)cc1)NC(=O)N1CC[C@@H](C)[C@H]1CO 225509741 NCYUUWQPYRJSLB-LALPHHSUSA-N 310.369 2.005 0 50 DEAA CN(C[C@@H](O)COc1ccc2c(c1)OCO2)C1CCCCC1 307778 SPWXEXFDXVEVGT-CQSZACIVSA-N 307.390 2.420 0 50 DEAA Cc1nn2cccnc2c1C(=O)N1CCO[C@H](c2ccccc2)C1 618374072 VKFAATMWNOWXMB-HNNXBMFYSA-N 322.368 2.251 0 50 DEAA CC(C)(C)[C@H](COc1ccccc1F)NC(=O)[C@H]1CCNC1 236675604 XQAZZGBUNVINGQ-WFASDCNBSA-N 308.397 2.345 0 50 DEAA C[C@H](CN(C(=O)[C@H]1OCCc2ccccc21)C1CC1)C(=O)O 237616539 BMBMFYJPEWHBDO-ABAIWWIYSA-N 303.358 2.012 0 50 DEAA COc1cccc(C[C@H](C)NC(=O)N2CC[C@@H](C)[C@@H]2CO)c1 334099981 URAOAQFPESWGLR-WWGRRREGSA-N 306.406 2.039 0 50 DEAA C/C=C1/CN2[C@H]3C[C@@]45C(=O)[C@H]3[C@H]1C[C@H]2[C@@H]4N(C)c1c(O)cccc15 248092635 VVLPFXAEVKKWTK-MHGDPYNISA-N 322.408 2.070 0 50 DEAA biogenic Cc1cc(C(=O)N(C)Cc2noc(C3CC3)n2)nn1C(C)(C)C 665675405 IKQUGHJFAXHQCR-UHFFFAOYSA-N 317.393 2.479 0 50 DEAA O=C1NCCOc2cc(-c3ccc(N4CCCC4)nc3)ccc21 904759140 DHDJDWSWEDPTFN-UHFFFAOYSA-N 309.369 2.471 0 50 DEAA C[C@@H]1C[C@@H](NCC2CCN(c3ccncc3)CC2)c2ncnn21 925300699 OGHKFDXJUCXXPB-CZUORRHYSA-N 312.421 2.185 0 50 DEAA C[C@H](CNC(=O)c1ccc2c(c1)C(=O)NCCO2)c1ccccc1 929368025 UTWSVVVWIYLRJX-CYBMUJFWSA-N 324.380 2.342 0 50 DEAA Cn1nccc1[C@H]1CCCN1CC(=O)Nc1cc(F)ccc1F 932271403 PQLNDFAXCIPNRU-OAHLLOKOSA-N 320.343 2.474 0 50 DEAA CCc1cnc(CCNC(=O)c2cc3cccn3cn2)s1 933701921 NZSFHRBNLGEXNC-UHFFFAOYSA-N 300.387 2.326 0 50 DEAA COc1ccc(-c2c[nH]c3nccc-3c2)cc1C[C@@H](CN)CO 935616195 CAGRATVGVMRUPN-LBPRGKRZSA-N 311.385 2.300 0 50 DEAA COCCn1c(C2CCC2)nnc1N1CCCC(F)(F)C1 846311049 WGYYKKKGWDDIIY-UHFFFAOYSA-N 300.353 2.428 0 50 DEAA O=C(O)[C@@H](CNCc1cccc2c1CCC2)C1CCOCC1 863744717 IQZFLOAWLKNLQG-KRWDZBQOSA-N 303.402 2.392 0 50 DEAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3nc(C)oc3C)C2)o1 952891269 ZDSQVAVQQJEQOT-NEPJUHHUSA-N 304.350 2.124 0 50 DEAA COCc1cn([C@H](C(=O)N2CCCCC2)c2ccccc2)nn1 1875282638 MSGRRKDKXGKCAS-INIZCTEOSA-N 314.389 2.026 0 50 DEAA O=C(NC[C@H]1CCO[C@@H]1c1cn[nH]c1)c1cccnc1C1CC1 886071803 KQTFIAPHQPIACY-WBMJQRKESA-N 312.373 2.190 0 50 DEAA CCCn1ccc(CN2CCC[C@H]2c2ncc(C(=O)O)cn2)n1 1776843421 IQVXJEUNFNYLKP-AWEZNQCLSA-N 315.377 2.118 0 50 DEAA O=C(Nc1ccc(F)cc1)c1cccnc1N1CCOCC1 19856998 QLKJEIKDSNAGGP-UHFFFAOYSA-N 301.321 2.310 0 50 DEAA CN(C)c1ccc(N[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 4317719 HXRNDGTURHLRLR-MRXNPFEDSA-N 309.369 2.497 0 50 DEAA O=C(O)CCN(C1CC1)S(=O)(=O)c1cccc(C2CC2)c1 2325772378 KGMGPMRVTMMZOK-UHFFFAOYSA-N 309.387 2.192 0 50 DEAA Cc1ncc(S(C)(=O)=O)c(N2CCCc3ccccc3C2)n1 2356134199 CUHFUJIDJJHAGW-UHFFFAOYSA-N 317.414 2.141 0 50 DEAA CCCNS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 4487973 RABBOSMBALWSBS-UHFFFAOYSA-N 308.359 2.220 0 50 DEAA COc1ccc(CNC(=O)c2cc3c(s2)C[S@](=O)C3)cc1 4670322 NHMMSFCNBXDWOC-NRFANRHFSA-N 321.423 2.449 0 50 DEAA C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc2c(c1)OCO2 6556251 JLSIZYMNGQWRJQ-HZSPNIEDSA-N 307.390 2.418 0 50 DEAA C[C@](O)(CNC(=O)[C@H]1C[C@]1(F)c1ccccc1)C(F)(F)F 412217091 KLXDCGMCZDXMBN-WXHSDQCUSA-N 305.271 2.301 0 50 DEAA CCN1C(=O)N(c2nnc(C)s2)C(=O)[C@@H]1Cc1ccccc1 225453089 QSGWFWHYQVOIJW-LBPRGKRZSA-N 316.386 2.246 0 50 DEAA CN[C@H]1CCCN(C(=O)c2ccc(F)c(Br)c2)C1 134196676 OBCPSHZYRGJZPO-JTQLQIEISA-N 315.186 2.412 0 50 DEAA Cc1c(F)cccc1NC(=O)CN1C(=O)COc2ccccc21 10683246 LRGPZAFZADZJAH-UHFFFAOYSA-N 314.316 2.498 0 50 DEAA CNC(=O)c1ccc(Cn2cc(CCc3ccccc3)nn2)cc1 67817874 OLCUFNHKHPKMCJ-UHFFFAOYSA-N 320.396 2.471 0 50 DEAA C=Cc1cccc(CN2CC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 67804927 YLYMYLNGPSYWFT-INIZCTEOSA-N 320.458 2.233 0 50 DEAA Cc1c([C@H]2OCC[C@@H]2NCc2cnn(CC(C)C)c2)cnn1C 328641866 YDRZXAAKFUFQGP-DLBZAZTESA-N 317.437 2.201 0 50 DEAA CC(C)(C)OC(=O)NC/C=C/CN1C(=O)c2ccccc2C1=O 145374835 LAQOJSAWVBNMKP-VOTSOKGWSA-N 316.357 2.364 0 50 DEAA CC(C)C[C@@H](C)N(C)C(=O)c1cc(CN2CCOCC2)on1 67648919 GNUFFUWBAATRTB-CYBMUJFWSA-N 309.410 2.013 0 50 DEAA COc1cccc(-c2cc(NC(=O)c3ccnn3C)n(C)n2)c1 119364591 DRCKZQUBGRJAMQ-UHFFFAOYSA-N 311.345 2.082 0 50 DEAA O=C(c1ccc(CO)c(F)c1)N1CCO[C@H](c2ccco2)C1 253405249 IYVIQMRLTVNRRC-HNNXBMFYSA-N 305.305 2.125 0 50 DEAA O=C(CC[C@@H]1CCOC1)NC1CC(O)(Cc2cccc(F)c2)C1 364459698 BYNUWVTYJLVAAP-IMUUDWKMSA-N 321.392 2.195 0 50 DEAA Cc1cccc(=O)n1CCCNC(=O)c1cccc(N(C)C)c1 215224907 XZCLOSKNJVMAOW-UHFFFAOYSA-N 313.401 2.043 0 50 DEAA CC(=O)Nc1nc(C(=O)Nc2cc3c(cc2C)OCO3)cs1 357926807 PINZWMNQZYNRSP-UHFFFAOYSA-N 319.342 2.391 0 50 DEAA NCCC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 237850449 QUCLFXHEDQFVOB-JTQLQIEISA-N 303.189 2.322 0 50 DEAA Cc1nc(NCc2ccc3nonc3c2)cc(C2CC(O)C2)n1 218987846 LUDFJNZOAWZIFL-UHFFFAOYSA-N 311.345 2.172 0 50 DEAA Cc1c(C(=O)N2CCC([C@H]3CCNC3)CC2)cnn1C(C)C 377771519 HBKHHESBYYRTOO-HNNXBMFYSA-N 304.438 2.234 0 50 DEAA Cc1cc(N2CCC[C@H](CCC(N)=O)C2)n2nc(C)c(C)c2n1 72426842 MAJHNMLMAWUFGB-CQSZACIVSA-N 315.421 2.136 0 50 DEAA C[C@H]1OCCN(C(=O)OC2CCC2)[C@@H]1c1nc(C2CC2)no1 496212073 IVFTTXDRPDYRLG-SKDRFNHKSA-N 307.350 2.398 0 50 DEAA CN(CC(=O)O)C(=O)c1cc2cc(C(F)(F)F)ccc2n1C 237168695 WWZWQYAAHKKUGC-UHFFFAOYSA-N 314.263 2.354 0 50 DEAA COC[C@@H](NC(=O)c1ccc(-c2nnc(S)o2)cc1)C1CC1 128300046 VUWKLUMFLJPCCS-GFCCVEGCSA-N 319.386 2.180 0 50 DEAA CCOCC(=O)N1CCC(=O)N(Cc2ccccc2)[C@H](CC)C1 71748151 NBEKMKRWIOZWBW-MRXNPFEDSA-N 318.417 2.063 0 50 DEAA O=C(c1cccnc1Nc1cccc(F)c1)N1CCCNCC1 237772301 RBAUKICBQVSWQR-UHFFFAOYSA-N 314.364 2.400 0 50 DEAA CC[C@H](NC(=O)C1(c2ccc(OC)cc2)CC1)c1ncnn1C 220264557 BCSLZTSKKRWQMS-AWEZNQCLSA-N 314.389 2.123 0 50 DEAA CCOc1ccc(C(=O)N[C@H]2CCCn3nc(C)nc32)cc1 177697711 KSWVQESTUXXWLN-AWEZNQCLSA-N 300.362 2.250 0 50 DEAA O=C(NCCOCCO)[C@]1(c2ccccc2)CC12CCCC2 426404413 WDYBIEUUUWKHRS-GOSISDBHSA-N 303.402 2.014 0 50 DEAA Cc1ccc2nsnc2c1NC(=O)N[C@H]1CCCC[C@@H]1O 96153362 PXKAJXUZECBBCN-ONGXEEELSA-N 306.391 2.425 0 50 DEAA CC(C)N(CCNC(=O)CN1C(=O)C[C@H]2CCCC[C@H]21)C(C)C 96028182 VATWEOXMKVVWJE-HZPDHXFCSA-N 323.481 2.013 0 50 DEAA CSC[C@@H]1CCCN(C(=O)c2ccc3[nH]c(CO)nc3c2)C1 97822908 VCSTVPNGNVLKHL-LLVKDONJSA-N 319.430 2.270 0 50 DEAA CC(=O)NCC[C@H]1CCCCN1c1nc2c(s1)c(C)nn2C 95499969 UTWKXPISVOXABM-GFCCVEGCSA-N 321.450 2.223 0 50 DEAA O=c1c2ccncc2ncn1C[C@@H](O)c1ccc(Cl)cc1 180228083 ONVIFQVXKPSANJ-CQSZACIVSA-N 301.733 2.179 0 50 DEAA O=C(c1cnc(C2CC2)nc1)N1CCN[C@@H](c2ccccc2)C1 97360218 RKPKITAPVPRAQL-MRXNPFEDSA-N 308.385 2.141 0 50 DEAA Oc1cccc(N2CCN(CCn3cc(Cl)cn3)CC2)c1 244647055 GUHOPDKVUXHAKY-UHFFFAOYSA-N 306.797 2.064 0 50 DEAA O=C(NC1CCOCC1)N1CCO[C@@H](CCc2ccccc2)C1 183087905 DHRMXYCHKTYUGA-KRWDZBQOSA-N 318.417 2.209 0 50 DEAA O=C(CCc1nc2ccc(F)cc2[nH]1)NCC[C@H]1CCOC1 534670945 PXRUMFRFLUXCIM-NSHDSACASA-N 305.353 2.177 0 50 DEAA CNc1nc(C(=O)NCc2ccc3c(c2)C[C@@H](C)O3)cs1 534649917 GPRXVAGTJVQELZ-SECBINFHSA-N 303.387 2.438 0 50 DEAA CCCN(Cc1ccc(SC)cc1)C(=O)N[C@H]1COC[C@@H]1O 534590883 ZPKXSNQEPNCCAU-GJZGRUSLSA-N 324.446 2.090 0 50 DEAA Cc1ncn(C)c1C(=O)NCC[C@H]1CCCCN1CC(C)C 299798777 RIKCDKFTTKPEQK-OAHLLOKOSA-N 306.454 2.359 0 50 DEAA Cc1noc(C)c1CCC(=O)N(C)[C@@H](C)Cc1cnccn1 299802020 ZUIUCTUUMVOKGJ-NSHDSACASA-N 302.378 2.104 0 50 DEAA C[C@@H]1c2cccn2CCN1C(=O)c1cc(C(F)(F)F)nn1C 573890395 WBQWPJUPAJDLPR-SECBINFHSA-N 312.295 2.457 0 50 DEAA O=c1c2cccnc2ncn1Cc1cnn(Cc2ccccc2)c1 584894058 FISHEIRSFAZLTK-UHFFFAOYSA-N 317.352 2.085 0 50 DEAA CC(C)C1=NO[C@@H](C(=O)NCc2ccc(-c3ncon3)cc2)C1 670451846 KTOPNHVYFCOZIE-CQSZACIVSA-N 314.345 2.154 0 50 DEAA O=c1c2cc(OC(F)(F)F)ccc2ncn1CC1(CO)CC1 584897985 OZLYTWMBMTYVTR-UHFFFAOYSA-N 314.263 2.068 0 50 DEAA C[C@H](c1ccncc1)N(C)S(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1 1423653508 HEFHEWGBGOBCFI-WQVCFCJDSA-N 324.446 2.362 0 50 DEAA O=C(CCCN1CCCC1=O)NCc1cc2ccccc2o1 952981553 NGMOZKBVGKSAOW-UHFFFAOYSA-N 300.358 2.452 0 50 DEAA O=C(c1ncc(F)cc1F)N1CC[C@H](Oc2ccccn2)C1 277663500 OFPDZAVRUHSYJU-NSHDSACASA-N 305.284 2.048 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)C1 269184719 MDKOJFJKAZDPCV-RBSFLKMASA-N 303.358 2.087 0 50 DEAA CC(C)(C)c1ccc(C(=O)C(=O)N2CCC[C@H](C(=O)O)C2)cc1 165383859 AELAEPZKBURYSS-ZDUSSCGKSA-N 317.385 2.490 0 50 DEAA CC1=CCC[C@H](C)[C@H]1CNC[C@H]1CCn2ncc(C(N)=O)c2C1 275717101 YUEFHEKEVLMAST-KKUMJFAQSA-N 316.449 2.126 0 50 DEAA C[C@H]1C[C@H](O)C[C@@H](C)N1CC(=O)Nc1ccc2c(c1)CCC2 277064945 JZIBUDSIZOBSPX-FVCICTRLSA-N 302.418 2.348 0 50 DEAA CC(C)c1cccc2c1CCN(C(=O)CN1CCCC1=O)C2 189987592 OUJYMEMJNUWUHI-UHFFFAOYSA-N 300.402 2.317 0 50 DEAA Cc1cc(CN2CCOCC2)cc(C)c1OCC(=O)NC(C)C 585123067 SYFUNLFYPCQWOM-UHFFFAOYSA-N 320.433 2.039 0 50 DEAA O=C(NCc1cccc2ncccc12)N1CCc2c[nH]nc2C1 1687516336 LOTIWQYEPQHMQB-UHFFFAOYSA-N 307.357 2.226 0 50 DEAA Cc1nc(N(C)C)nc(NC[C@H](CO)Cc2ccco2)c1C 1704338737 YIAHIJOSWAYKNI-CYBMUJFWSA-N 304.394 2.016 0 50 DEAA O=C(c1ccc2c(c1)CCO2)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775982203 SHMYCALCFDKFDX-IBGZPJMESA-N 323.396 2.465 0 50 DEAA COC(=O)c1cc2c(=O)n(-c3ccccc3OC)ccc2nc1C 12406639 NGHFYEBBKRWWJE-UHFFFAOYSA-N 324.336 2.489 0 50 DEAA COc1ccc(Cl)c2c(=O)c(CN3CCOCC3)c(C)[nH]c12 19793513 MKVCFGJHNUDOGG-UHFFFAOYSA-N 322.792 2.331 0 50 DEAA CN1CCN(CC(=O)n2c3c(c4ccccc42)CCCC3)CC1 19866336 ZTUDECULDDEFNT-UHFFFAOYSA-N 311.429 2.408 0 50 DEAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)c1ncc[nH]1)CC2 1857710502 ABDCHVAZWFJMJA-UHFFFAOYSA-N 321.384 2.051 0 50 DEAA N[C@@H]1C[C@H](C(=O)NCC2(c3ccccc3)CCCCC2)C[C@H]1O 1857726013 FFXWOIGKVXHPIE-USXIJHARSA-N 316.445 2.103 0 50 DEAA Cc1nn2cccnc2c1C(=O)N1CCO[C@@H](c2ccccc2)C1 618374073 VKFAATMWNOWXMB-OAHLLOKOSA-N 322.368 2.251 0 50 DEAA CC(=O)N1CCN(Cc2nn(C)cc2Cl)CC12CCCCC2 420929931 FAJCYFRXGBLNGC-UHFFFAOYSA-N 324.856 2.441 0 50 DEAA CCn1c(C)nnc1CN(C)S(=O)(=O)c1ccc(C)c(C)c1 331131560 TZNJQBVUNQARRZ-UHFFFAOYSA-N 322.434 2.044 0 50 DEAA C[C@H]1C[C@@H](N)CCN1C(=O)CCc1ccc2c(c1)OCCCO2 237491283 SQPLIOVJFSDUSX-ZFWWWQNUSA-N 318.417 2.119 0 50 DEAA Cc1ccc2c(CC(=O)N3CCC[C@H](C(=O)O)C3)c[nH]c2c1 237870773 AZRRMVWGNXZHDJ-LBPRGKRZSA-N 300.358 2.342 0 50 DEAA NC1(CNCc2cnn(-c3ccc(Br)cc3)c2)CC1 904448672 BTDODZMHODPEHO-UHFFFAOYSA-N 321.222 2.216 0 50 DEAA c1ccc(-n2ncnc2CN2CCn3nc(C4CC4)cc3C2)cc1 932602846 JZSJYCMGYRAFQV-UHFFFAOYSA-N 320.400 2.357 0 50 DEAA Cn1nnc(NC(=O)NCc2cccc3c2OCC3)c1C(F)F 934805386 NKESXTOHRAHJDK-UHFFFAOYSA-N 323.303 2.009 0 50 DEAA Cc1nc([C@@H]2C[C@@H](O)[C@@H](CNc3cnc4ccccc4n3)C2)n[nH]1 856774232 QPIGJZHYPSLVJH-YWPYICTPSA-N 324.388 2.023 0 50 DEAA O=C(N1CCN(Cc2cc3ccccc3[nH]2)CC1)C(F)(F)F 859387252 ATEDFPWXGVXIPN-UHFFFAOYSA-N 311.307 2.374 0 50 DEAA CCn1ncc(CNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)n1 858092505 XIRLXNRPOHJKGV-VIFPVBQESA-N 309.320 2.137 0 50 DEAA CCOC(OCC)c1nc2nc(Br)c[nH]c-2n1 1857785148 PMXRILLAIBVQLW-UHFFFAOYSA-N 301.144 2.139 0 50 DEAA C=CC(=O)N(C)CC(=O)NC[C@@]1(C)CCCc2ccccc21 860595124 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2.425 0 50 DEAA COc1cccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)c1 65845 YHFVKNSWBNYBLU-HNNXBMFYSA-N 311.341 2.457 0 50 DEAA O=C(c1cccnc1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 280631 BJWIIIHSWKDDBF-ZWNOBZJWSA-N 313.279 2.335 0 50 DEAA CCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O 618809 VQLCNCWYYOIFRO-UHFFFAOYSA-N 310.309 2.221 0 50 DEAA CSc1nc(-c2ccco2)nn1S(=O)(=O)c1ccccc1 618987 OFISLNLJHYDPQK-UHFFFAOYSA-N 321.383 2.497 0 50 DEAA Cc1ccc(-c2noc(CCCC(=O)N3CCOCC3)n2)cc1 2356738 YOBNCAHNTVQVJU-UHFFFAOYSA-N 315.373 2.227 0 50 DEAA CCCc1cc(=O)[nH]c(SCC(=O)NCc2ccccc2)n1 4741700 CRBLSEFZDHOWSQ-UHFFFAOYSA-N 317.414 2.131 0 50 DEAA Cc1occc1C(=O)Nc1sccc1C(=O)N1CCOCC1 4750043 WQAADPSZNBOEGY-UHFFFAOYSA-N 320.370 2.374 0 50 DEAA O=C(NCc1ccco1)c1cnn2cc(Br)cnc12 4820889 RLTQLIMCDOZHJG-UHFFFAOYSA-N 321.134 2.015 0 50 DEAA COCC1CCC(NC(=O)c2ccc3nc(O)[nH]c3c2)CC1 412688138 SMKSWHXORMBBRE-UHFFFAOYSA-N 303.362 2.204 0 50 DEAA COC(=O)c1oc([C@H](C)N(C)C[C@H]2CCN(C(C)=O)C2)cc1C 245964105 DTMRFTAURGAQIF-GXTWGEPZSA-N 322.405 2.236 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CCn1cc(-c2n[nH]c(=O)n2-c2cccc(Cl)c2)c(C)n1 65423488 OLUQSKNMHGSUOE-UHFFFAOYSA-N 303.753 2.406 0 50 DEAA CNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](C)CC1 229785091 BQPPBOVWVQYVIZ-UKRRQHHQSA-N 303.406 2.305 0 50 DEAA Cc1c[nH]c(C(=O)N2CCC[C@@]3(C2)C(=O)Nc2ccccc23)c1 72157408 YSGKFHLIMYREDQ-SFHVURJKSA-N 309.369 2.449 0 50 DEAA Cn1cncc1[C@@H]1C[C@H](N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CCO1 328655429 YKHXFAKGCOLNCY-HUHANWACSA-N 305.422 2.043 0 50 DEAA Cc1nc(CC(=O)N2CCC(c3cnc[nH]3)CC2)c(C)s1 330063174 BJNKBUUNWYDLIF-UHFFFAOYSA-N 304.419 2.432 0 50 DEAA CN(Cc1ccc(CO)cc1)C[C@H]1CCCN1c1cccnn1 364977363 GKWCDNAJNOTLDK-QGZVFWFLSA-N 312.417 2.070 0 50 DEAA Cc1ccn(-c2ccc(N3CCC[C@H](c4ccnn4C)C3)nn2)n1 368669974 QNFZGPQNZBDOFX-AWEZNQCLSA-N 323.404 2.088 0 50 DEAA CCOCCN1CCN(CCc2ccc(OC)cc2)C[C@H]1C 241644393 PQJSHJXQORIPEY-MRXNPFEDSA-N 306.450 2.280 0 50 DEAA CCOc1ccc(C(=O)N2CCC[C@@H]([C@H](C)N)C2)cc1OC 236901100 RXQDJGUWAZKVTP-GXTWGEPZSA-N 306.406 2.293 0 50 DEAA CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CCC(=O)[C@H]2C1 13408443 FMGBNISRFNDECK-YRVKDEGTSA-N 319.401 2.308 0 50 DEAA biogenic Cc1nc(-c2cc(C(=O)N3CC[C@@H](C(=O)O)C3)co2)cs1 237789685 TXONWXZIUCNTCM-SECBINFHSA-N 306.343 2.258 0 50 DEAA CNC[C@H]1CCCN(C(=O)CCCOc2ccccc2F)C1 159033991 NGLHAGIJFXQGIL-CQSZACIVSA-N 308.397 2.443 0 50 DEAA CCc1noc([C@]2(O)CCN(Cc3ccc4occc4c3)C2)n1 377836097 YVOISFWCLDEXRY-KRWDZBQOSA-N 313.357 2.472 0 50 DEAA CCOC(=O)/C=C1\S[C@H](N(C)Cc2ccccc2)C(=O)N1C 71769198 DKIMDNWPSSGDIU-DDKJEQMHSA-N 320.414 2.054 0 50 DEAA CCc1nc([C@@H]2CCCCN2C(=O)c2cn(C)nc2CC)no1 378422956 LBJHOAQQUQKIQS-ZDUSSCGKSA-N 317.393 2.295 0 50 DEAA C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)C[C@H]1C(N)=O 284819129 BTHUEGFGLFPLRW-MEBBXXQBSA-N 315.348 2.014 0 50 DEAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 17056181 FCKFSDSPCXACQL-HOTGVXAUSA-N 322.449 2.354 0 50 DEAA Cn1ccc(C(=O)NCCN2CCC(c3ccccc3)CC2)n1 426563431 TVULHFUMAHWQOA-UHFFFAOYSA-N 312.417 2.030 0 50 DEAA COc1ccccc1N1C[C@H](NC(=O)CC2=CCCC2)CC1=O 426472956 NTMUTSORZXYROY-CQSZACIVSA-N 314.385 2.417 0 50 DEAA Cc1nc2ccc(CNC(=O)[C@@H](C)N3CCCCC3)cc2[nH]1 426739017 HVZYKABGHZJXMQ-GFCCVEGCSA-N 300.406 2.362 0 50 DEAA C[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@]1(O)C1CCC1 91664643 JCLPWTINDHDXAW-RNCFNFMXSA-N 301.312 2.483 0 50 DEAA CSc1cccc(CN(C)C(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 91950963 WKBVICMQDKUTSM-ZDUSSCGKSA-N 318.442 2.378 0 50 DEAA Cn1nc(C(=O)N(Cc2ccsc2)C2CCCC2)ccc1=O 97784873 BEBWPCLDRGGSFO-UHFFFAOYSA-N 317.414 2.427 0 50 DEAA CCCn1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H](N)C2)c(C)n1 91914973 QMWHIUXONJERCE-SJORKVTESA-N 312.417 2.168 0 50 DEAA Cc1ccc2c(c1)SCC(=O)N2CC(=O)N1CCSCC1 95530084 SSNAITDPEJYULE-UHFFFAOYSA-N 322.455 2.009 0 50 DEAA O=C(O)c1cccc2c1CCN(C(=O)CC1CCOCC1)C2 621578813 JYAXLSQHXVTHFR-UHFFFAOYSA-N 303.358 2.086 0 50 DEAA O=C(c1ccc(N2CCCC2)nc1)N1C[C@H](CO)c2ccccc21 293942653 PJFQHPASYDGJOO-OAHLLOKOSA-N 323.396 2.418 0 50 DEAA CCc1n[nH]c(C(=O)N(CCO)Cc2ccccc2F)c1C 97578859 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Cc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)c(=O)n1C 828161310 CHHKVPDXMXNMNF-UHFFFAOYSA-N 308.341 2.132 0 50 DEAA CC[C@H](NC(=O)N(C)CCc1ccccn1)c1ncc(C)[nH]1 822650332 HJCZYKHMHNNKTG-AWEZNQCLSA-N 301.394 2.448 0 50 DEAA CCCOc1ccccc1CNC(=O)N(C)C[C@@H]1COCCO1 584896142 XFMDEYPHRQWVTA-OAHLLOKOSA-N 322.405 2.032 0 50 DEAA Cc1ccccc1OCCNC(=O)N1CCC[C@@H](N(C)C)CC1 584900626 UCBLUZZKBBHYJV-MRXNPFEDSA-N 319.449 2.500 0 50 DEAA CC(=O)c1cc(CC(=O)NCc2cc(C3CC3)n[nH]2)cs1 584890538 GCRWLAZQQWLHFE-UHFFFAOYSA-N 303.387 2.410 0 50 DEAA CCCn1cnnc1[C@H](C)n1cnc2cccc(OC)c2c1=O 584888249 RLMCTPFGXYALMX-NSHDSACASA-N 313.361 2.016 0 50 DEAA Cc1nn(CCO)cc1CN1CCC(Cc2cccnc2)CC1 670455063 LCHPQDCDLLYGGP-UHFFFAOYSA-N 314.433 2.034 0 50 DEAA COc1cccc(C(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)c1 408516085 MIQLNMZXVOZGOT-RYUDHWBXSA-N 305.296 2.373 0 50 DEAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cnn(Cc2ccncc2)c1 277446086 FKVTWAGGMJOVBD-HOTGVXAUSA-N 314.389 2.470 0 50 DEAA Cc1nnc([C@H](C)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)o1 170088251 CHCXEZMBUBITAK-HEHGZKQESA-N 315.421 2.334 0 50 DEAA COc1ccc(S(=O)(=O)N2CCC3(CCCCC3)C2)cn1 170091644 IBXSFUJRHGUKLP-UHFFFAOYSA-N 310.419 2.435 0 50 DEAA Cc1ccc(NC(=O)NC[C@H](C)O)cc1C(=O)N1CCCCC1 279004084 UFABCUATPPAZHW-ZDUSSCGKSA-N 319.405 2.123 0 50 DEAA CCc1cnc(CC(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)[nH]1 635945551 HOGYWAITNQYSED-CJNGLKHVSA-N 303.406 2.075 0 50 DEAA O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1nc2cccnc2s1 193935155 BIZZTLMRXAVFCD-STQMWFEESA-N 311.366 2.079 0 50 DEAA COc1cc(C[C@H](C)NCc2nncn2-c2ccccc2)ccn1 583651332 LEBXUQSGRCFPFV-AWEZNQCLSA-N 323.400 2.392 0 50 DEAA CN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C(=O)CC1CC1 583619520 CDEWBUANGRLJHO-WMLDXEAASA-N 304.438 2.062 0 50 DEAA Cn1cncc1C(=O)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 585125917 IPDRMHBBZGVGSU-DOTOQJQBSA-N 313.401 2.018 0 50 DEAA Cc1nn[nH]c1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C 585128146 UACYVSZWMSQHNO-GHMZBOCLSA-N 323.397 2.087 0 50 DEAA CN(CC(=O)Nc1ccc(CN2CCOC2=O)cc1)C1CCC1 585124338 XRLIGPODYBVZJO-UHFFFAOYSA-N 317.389 2.062 0 50 DEAA Cc1cc2nc(O)[nH]c2c(NC(=O)[C@@H](N)Cc2ccccc2)c1C 1506409897 UYSSDAGGVHPGFG-ZDUSSCGKSA-N 324.384 2.394 0 50 DEAA CSCC(=O)N1C[C@H]2CCC[C@](O)(c3ccccc3)[C@H]2C1 1704326630 KGGIAWNQCHBTRI-KMFMINBZSA-N 305.443 2.496 0 50 DEAA CCCNC(=O)N1CCCN(C(=O)c2ccc(Cl)o2)CC1 1775979312 KLFZGAWEZYBUBD-UHFFFAOYSA-N 313.785 2.201 0 50 DEAA CCOc1cccc(OCCN(C)c2nnc(CN(C)C)o2)c1 1772712210 LSLAKXMSASRHMT-UHFFFAOYSA-N 320.393 2.045 0 50 DEAA COCCc1nc2ccc(C(=O)NCCCSC)cc2o1 11844482 JVTXIYVYDWPOBH-UHFFFAOYSA-N 308.403 2.500 0 50 DEAA COCCN1CCC[C@]2(CCN(Cc3ccc(F)cc3)C2)C1=O 12387397 FHJCGSYQENDMCL-GOSISDBHSA-N 320.408 2.287 0 50 DEAA CSCC(=O)N[C@@H](C)c1cnc(-c2ccncc2)nc1C 12716399 INDJCWWVCXMNMF-JTQLQIEISA-N 302.403 2.387 0 50 DEAA Cc1cccc(N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)n1 13153148 BRTITNXXQUYBBF-LLVKDONJSA-N 316.308 2.006 0 50 DEAA Cc1cc(Cl)cc(Cl)c1OCCOCCNCCN 19772503 WZVDSSGLMLWJST-UHFFFAOYSA-N 307.221 2.246 0 50 DEAA COC(=O)C1=CNC=C(C(=O)OC)C1c1cc(C)ccc1C 19799610 OVOWSAMVRHFRSY-UHFFFAOYSA-N 301.342 2.104 0 50 DEAA CCc1cc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)n[nH]1 113726796 KSNYXPPJCUWQAV-UHFFFAOYSA-N 318.358 2.093 0 50 DEAA COc1ccc2ccc(C(=O)N3C[C@@H](F)C[C@H]3CO)cc2c1 348963988 KHKAOWANENYLMW-GJZGRUSLSA-N 303.333 2.393 0 50 DEAA O=C(NC1CC1)c1cccc(NC(=O)c2cnc3n2CCCC3)c1 378236567 OJKMPLNPETXWIL-UHFFFAOYSA-N 324.384 2.364 0 50 DEAA CCC[C@@H](CNC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C(=O)O 263207114 OKUMGJXHVSLWNL-JTQLQIEISA-N 305.334 2.209 0 50 DEAA CC1(C)CC[C@@H](NC(=O)C2(NC(N)=O)CC2)c2ccccc21 163081980 RMSWIARSEKWGAU-CYBMUJFWSA-N 301.390 2.116 0 50 DEAA Cc1cc(Br)ccc1C(=O)NC1(C(=O)O)CCC1 164888146 KEOAHLUMDGBIRG-UHFFFAOYSA-N 312.163 2.495 0 50 DEAA C[C@]1(O)CCOC2(CCN(C(=O)CCC(F)(F)F)CC2)C1 1704298551 JEMIGGQMXKUAJR-LBPRGKRZSA-N 309.328 2.252 0 50 DEAA Cc1ccnc(N(C)C[C@H](C)NC(=O)c2cc(C)oc2C)n1 1108870685 KPBSSVRJCXOACF-NSHDSACASA-N 302.378 2.250 0 50 DEAA COc1ncc(C(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)cn1 831901454 OZUABMIFVMSTDT-CHWSQXEVSA-N 319.311 2.264 0 50 DEAA Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@H]1CCC2(CCOCC2)O1 832391060 IDOCRSLRXDSTLZ-ZDUSSCGKSA-N 321.421 2.300 0 50 DEAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNCCc1cccnc1 850025008 ROWGARAYDPQYPK-JKSUJKDBSA-N 300.406 2.115 0 50 DEAA CC(C)(C)OC(=O)NCCC(=O)OCC1(O)CCCCC1 864085751 DHMDPCUWDSCRQT-UHFFFAOYSA-N 301.383 2.140 0 50 DEAA CC1(C)[C@H]2CC=C(CCNC(=O)Cn3ccc(C(=O)O)n3)[C@@H]1C2 1875277353 HDIAETMKZZNNMG-STQMWFEESA-N 317.389 2.080 0 50 DEAA Oc1n[nH]c([C@H]2[C@@H](C3CC3)CCN2c2cnc3ccccc3n2)n1 1875399607 FFSZSSQRHFZWFF-IAQYHMDHSA-N 322.372 2.431 0 50 DEAA Cn1cc(Cl)cc1C(=O)N1CCC[C@H]1c1ccc(N)nn1 888077034 DZMIEUDUNHWCDD-NSHDSACASA-N 305.769 2.028 0 50 DEAA CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2cncc(Cl)c2)C1 888076786 CTWNGTZVKPKOLR-ZNMIVQPWSA-N 323.824 2.107 0 50 DEAA C[C@H](O)c1cn(C2CN(Cc3cc4ccc(F)cc4[nH]3)C2)nn1 2325744094 MTCBDOIZHMPBPH-JTQLQIEISA-N 315.352 2.009 0 50 DEAA CN1CCN(C(=O)[C@@H]2CNC[C@H]2CC(C)(C)C)CCC1(C)C 2325768827 UZDWXEYSHCPLMB-HUUCEWRRSA-N 309.498 2.201 0 50 DEAA 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UQSVOHMSEONLOT-LLVKDONJSA-N 316.357 2.296 0 50 DEAA Cc1c([C@H](C)NC(=O)CCO)cnn1-c1ccc(F)cc1F 91794252 WHNDZIAFEMKEEM-VIFPVBQESA-N 309.316 2.019 0 50 DEAA CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1CCNC1 237169949 PJXYPAMUIGQJPT-SNVBAGLBSA-N 302.296 2.153 0 50 DEAA CCc1ncc(C(=O)N(CCOC)Cc2ccccc2F)cn1 95355668 FSMBDSDJSUEWAR-UHFFFAOYSA-N 317.364 2.467 0 50 DEAA CCSc1ncc([C@@H]2CC(=O)Nc3nc(N)ccc32)cn1 91325312 QXZDPYMXZHQCCA-JTQLQIEISA-N 301.375 2.040 0 50 DEAA COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(F)c(F)c1)C2 95369860 LTWRBVNZBGVNHI-TZMCWYRMSA-N 324.371 2.148 0 50 DEAA CN(C)[C@@H](C(=O)N1CCC2(CCO2)CC1)c1ccccc1F 95385981 GCDDOARBCMPLHA-OAHLLOKOSA-N 306.381 2.210 0 50 DEAA Cn1ccnc1C1CCN(C(=O)c2cnn3ccccc23)CC1 95523630 CPHPGHBWEYGGJH-UHFFFAOYSA-N 309.373 2.088 0 50 DEAA O=C(c1cnc(-c2ccncc2)nc1)N1CCC(F)(F)CC1 95383351 BGGSOXXTFLSRHS-UHFFFAOYSA-N 304.300 2.410 0 50 DEAA Cn1ccnc1[C@H](O)C1CCN(CCCc2cccnc2)CC1 244723732 MGHTZWOIOIMPCG-QGZVFWFLSA-N 314.433 2.193 0 50 DEAA CCC1=NO[C@@H](C(=O)NCc2nc3cc(OC)ccc3o2)C1 244619962 FJJCYDHQWKSLQH-CYBMUJFWSA-N 303.318 2.008 0 50 DEAA COCCn1cc(C(=O)N2CCc3[nH]ncc3C2)c2ccccc21 299308343 QKTDRFPTHYLUNC-UHFFFAOYSA-N 324.384 2.209 0 50 DEAA O=C(CCc1nc(O)n[nH]1)N1CCC2(C=Cc3ccccc32)CC1 1940195983 ZUXXOHUTNBFDEI-UHFFFAOYSA-N 324.384 2.030 0 50 DEAA CC(C)c1noc([C@@H](C)NC(=O)c2cnc(C3CC3)nc2O)n1 828198073 PEJLSHZDUOFXON-MRVPVSSYSA-N 317.349 2.057 0 50 DEAA C/C=C(\C)CN1CCC[C@@H](CNC(=O)Cc2cccnc2)C1 820390561 GUHOKHVVYRRBQP-PWTCPNTCSA-N 301.434 2.419 0 50 DEAA CN(C)c1ccc([S@@](C)(=O)=NC(=O)[C@@]2(C)CCOC2)cc1 585136969 AOKCDKSYPMGJDX-YCRPNKLZSA-N 310.419 2.163 0 50 DEAA Cn1nc(C2CCOCC2)cc1NC(=O)c1cccc(N)c1 685942133 DKLHKOIHVJGPJK-UHFFFAOYSA-N 300.362 2.149 0 50 DEAA O=C(CC1(n2cccc2)CCSCC1)NC[C@H]1CCCO1 888103988 QZMYALGUDFMNIL-CQSZACIVSA-N 308.447 2.396 0 50 DEAA CCNC(=O)c1cnc(Br)c(Br)c1 306247988 YEKDUGFWOMKOQC-UHFFFAOYSA-N 307.973 2.356 0 50 DEAA COC(=O)CC1(NC(=O)c2ccc3c(c2)OCO3)CCCC1 279571685 VDFRYCHSUSAYEP-UHFFFAOYSA-N 305.330 2.021 0 50 DEAA COc1cccc(F)c1NC(=O)N1CCC[C@H](n2cncn2)C1 186115909 KURQCIYREWJVTG-NSHDSACASA-N 319.340 2.295 0 50 DEAA C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccco1 188684107 LNJPFKDQISBFEE-CQSZACIVSA-N 320.414 2.175 0 50 DEAA CC(C)n1cnnc1C1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 191439878 SZUYTXBWYZUWPQ-ZFWWWQNUSA-N 320.437 2.380 0 50 DEAA COc1cc(NC(=O)N[C@@H]2CCc3ncnn3C2)ccc1Cl 194386198 DFGRRCZMGBSEAU-SNVBAGLBSA-N 321.768 2.077 0 50 DEAA CN(CC1CCN(Cc2ccccc2)CC1)c1nccc(N)n1 95526723 JSAMBZUYCSISIZ-UHFFFAOYSA-N 311.433 2.407 0 50 DEAA CCc1ccc(CCNC(=O)[C@@H]2CCCc3nnn(C)c32)cc1 1615585667 KMWQBLAJXRQFLQ-OAHLLOKOSA-N 312.417 2.156 0 50 DEAA O=C(O)[C@H]1C[C@@H](NC(=O)N2CC(C3CC3)C2)c2ccccc21 1615613917 CDXQLVFIIQDPNE-LSDHHAIUSA-N 300.358 2.351 0 50 DEAA c1ccc(N2CC[C@@H](N3CCCN(c4ncccn4)CC3)C2)cc1 1506412833 FFHIDZOIFOIXCM-GOSISDBHSA-N 323.444 2.268 0 50 DEAA CC(C)c1ocnc1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704351724 QYBGTDJLINHTAM-KGLIPLIRSA-N 315.373 2.181 0 50 DEAA COc1c(F)ccc(C(=O)NCc2[nH]nc3ncccc23)c1F 1772807158 KZWRTVFUBGGJJK-UHFFFAOYSA-N 318.283 2.175 0 50 DEAA CC1(C(=O)N2CCCN(CC[C@@H](O)c3ccccc3)CC2)CC1 1772805183 JFWNWBNKPDPMQI-QGZVFWFLSA-N 316.445 2.445 0 50 DEAA CC(=O)N1CCC[C@@H](c2nnc3n2-c2ccc(F)cc2CC3)C1 1772809408 ALRWFPXCZQMQJI-CYBMUJFWSA-N 314.364 2.231 0 50 DEAA Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2)cn1 12435500 BXQZWPRPVHXFEO-QGZVFWFLSA-N 310.401 2.179 0 50 DEAA O=C(N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)C1CCC1 12744541 HCUGOQZMMJKCDG-ZDUSSCGKSA-N 306.793 2.357 0 50 DEAA O=S(=O)(Cc1ccccc1)N1CCN(C2CCCC2)CC1 19851820 RPFCNDQVDFHTLK-UHFFFAOYSA-N 308.447 2.077 0 50 DEAA Cc1cc(N2C[C@@H]3CC(=O)N[C@@H]3C2)c2cc(F)cc(F)c2n1 1857711417 YHXWUYKTIRUSNR-TVQRCGJNSA-N 303.312 2.146 0 50 DEAA Oc1ccc2cc(-c3nccn3C[C@]3(O)CCNC3)ccc2c1 1857721257 GWLGOGRAVSPZFW-SFHVURJKSA-N 309.369 2.133 0 50 DEAA CCOC(=O)c1cnc2ccc(OC)cc2c1NC[C@H](C)O 90695 KQYPCANIUMRRTD-JTQLQIEISA-N 304.346 2.213 0 50 DEAA biogenic O=C(N[C@H]1CC[C@H](CO)CC1)c1coc(-c2cccnc2)n1 612497236 GCTYFIHOQMUWQW-AULYBMBSSA-N 301.346 2.018 0 50 DEAA COC(=O)[C@]1(C)CCN(C(=O)c2cc(Cl)cc(F)c2N)C1 328586995 ICDDRQMZPRLKBU-CQSZACIVSA-N 314.744 2.087 0 50 DEAA CO[C@@H]1C[C@H](NC(=O)Cc2cccc(C(=O)O)c2)C12CCC2 634806710 LLMKLCSAGLBDJN-UONOGXRCSA-N 303.358 2.001 0 50 DEAA C[C@H](N[C@@H]1CCCC[C@@H]1C(N)=O)c1nnc(-c2ccccc2)o1 131181711 QHLHNEPVBRCYEC-FPMFFAJLSA-N 314.389 2.431 0 50 DEAA CCCn1ncnc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 343738075 IQOSUYYTROYEKO-SWLSCSKDSA-N 322.359 2.274 0 50 DEAA Cc1nc(CNC(=O)[C@@H](C)c2c(C)noc2C)sc1C(=O)O 679400303 RSHCNCIVQHYHSK-LURJTMIESA-N 323.374 2.174 0 50 DEAA Cc1cc(C(=O)N2CCOCC[C@@H]2C)cc(C)c1OCC(=O)O 365329608 IXGKFFVXWOWNSW-ZDUSSCGKSA-N 321.373 2.018 0 50 DEAA Cc1nc(C2CC2)oc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)O 262840550 CYTBVAJVSCXEKL-SDDRHHMPSA-N 304.346 2.186 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c2ccccc21 386680110 QBJGPKIQKROLHE-BPGGGUHBSA-N 301.342 2.159 0 50 DEAA O=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2ccoc2)C[C@H]1O 1704325264 KRYYCNLOJVSCGU-SJLPKXTDSA-N 315.369 2.160 0 50 DEAA O=c1c2ccccc2ncn1CCN[C@@H]1CCOC12CCCC2 934383467 AXPMIDOPAZANBQ-MRXNPFEDSA-N 313.401 2.088 0 50 DEAA COc1ccc2[nH]c(C(=O)N3C[C@@H](CO)C[C@@H]3C)cc2c1OC 1875299092 YNBOVCZLSWCXPZ-QWRGUYRKSA-N 318.373 2.028 0 50 DEAA C[C@@H]1Oc2ccccc2[C@@H]1NS(=O)(=O)C1(C(F)F)CC1 1875369032 WILBFSQMOJXZJF-GZMMTYOYSA-N 303.330 2.226 0 50 DEAA CCC[C@H](NC(=O)c1ccccc1OC(C)C)c1nn[nH]n1 1875324386 WPDDWNGZPOQAKX-LBPRGKRZSA-N 303.366 2.258 0 50 DEAA c1ccc2c(N3CC4(CCNCC4)[C@@H]4COC[C@@H]43)ccnc2c1 1875318512 QANHRMCGZVHYOT-QAPCUYQASA-N 309.413 2.440 0 50 DEAA COC1(OC)CCOC[C@H]1NCc1ccc(OC(F)F)cc1 877871872 VZHPMXGUGSYYQS-CYBMUJFWSA-N 317.332 2.156 0 50 DEAA OCc1cnccc1N1CCC[C@H](Oc2ncccc2F)C1 893546078 OWZYYTLOWOUCNO-ZDUSSCGKSA-N 303.337 2.156 0 50 DEAA COc1ccccc1[C@H]1C[C@H](NC(=O)[C@]2(C)C[C@H](F)CN2)C1 2325801461 JLNVTEHTXVVTBE-MRHIQRDNSA-N 306.381 2.148 0 50 DEAA O=C(CCc1ccc2[nH]ccc2c1)N1CCO[C@@H](c2cn[nH]c2)C1 2325803634 RKOHCXVKDPMBPU-QGZVFWFLSA-N 324.384 2.424 0 50 DEAA O=C(O)[C@@H]1CCC[C@H](CNC(=O)[C@H]2C[C@@H](c3ccccc3)C2)O1 2325808189 CRRFALVBVRBHCS-QXSJWSMHSA-N 317.385 2.319 0 50 DEAA Cn1nnnc1SCCNCc1ccc(Cl)cc1Cl 4488538 FUMSYMBOHPPOAK-UHFFFAOYSA-N 318.233 2.399 0 50 DEAA Cc1cc(C)cc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 4841611 NETFVJGNFNRVKZ-UHFFFAOYSA-N 311.341 2.491 0 50 DEAA COc1ccc2c(c1)N(C(=O)c1ccnc3c1ncn3C)CCO2 342419396 BBXRHFVXXZJHCD-UHFFFAOYSA-N 324.340 2.016 0 50 DEAA O=C(NCc1cccnc1)c1ccc(CSc2ncn[nH]2)o1 55035793 AFKIIIQPPXOWMW-UHFFFAOYSA-N 315.358 2.015 0 50 DEAA O=C(Nc1nncs1)C1CCN(C(=O)c2ccccc2)CC1 9340743 RLHRCVUZMDTUBX-UHFFFAOYSA-N 316.386 2.029 0 50 DEAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccccn1 57013127 VMUVRVIVOPQYQR-CYBMUJFWSA-N 307.375 2.212 0 50 DEAA CNC(=O)COc1ccc(-n2ccnc2-c2cccnc2)cc1 65387762 MFXYFWNQPGRPNS-UHFFFAOYSA-N 308.341 2.059 0 50 DEAA Cc1ccc(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)cc1F 111058926 PFJUTAUGFBDFBD-CQSZACIVSA-N 304.365 2.361 0 50 DEAA COc1ncccc1-c1ccc([C@H](O)CN2CCOCC2)cc1 65419305 QMNVZOHKGJMFOK-QGZVFWFLSA-N 314.385 2.123 0 50 DEAA CCCn1nc(C(=O)O)c2c1CC[C@@H](NCc1ccoc1)C2 67726986 GQSVDADPEYNQLP-GFCCVEGCSA-N 303.362 2.231 0 50 DEAA CC(C)n1nccc1NC(=O)Cn1ccc(-c2ccncc2)n1 20999152 PFTUQVOPBDUFGY-UHFFFAOYSA-N 310.361 2.361 0 50 DEAA CN(C)c1ncccc1CNC(=O)[C@H](O)c1ccc(Cl)cc1 67894499 PWUSRPBHTGBESB-CQSZACIVSA-N 319.792 2.151 0 50 DEAA CCn1nc(C(C)C)cc1C(=O)Nn1c(C)cc(C)cc1=O 67955708 RQFCZVREPKHJAZ-UHFFFAOYSA-N 302.378 2.189 0 50 DEAA Cc1noc([C@@H](N[C@@H](C)CCn2cccn2)C2CCOCC2)n1 328618780 FCMKZCDTZBSLCN-WFASDCNBSA-N 319.409 2.111 0 50 DEAA COc1ccc(CC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)nc1 365542264 WXGZBMPJILJEJL-OAHLLOKOSA-N 314.389 2.336 0 50 DEAA O=C(c1csc(O)n1)N1CC[C@]2(CCc3ccccc3O2)C1 366461055 JTZPRKOJXVESHH-MRXNPFEDSA-N 316.382 2.459 0 50 DEAA O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCOCC(F)(F)C1 366527969 KAJWSTUOGNILMD-GFCCVEGCSA-N 319.735 2.258 0 50 DEAA C[C@@H](c1cnccn1)N1CCc2c(nnn2-c2ccccc2)C1 366597114 LSQNQZAACZZYJB-ZDUSSCGKSA-N 306.373 2.177 0 50 DEAA O=C(C(=O)N1CCC[C@H](OCc2ccccn2)C1)c1ccco1 216281659 IEJIOZGOZXAWKS-AWEZNQCLSA-N 314.341 2.065 0 50 DEAA CCc1nnc(C)cc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 261606369 AJRVUEOEKAXXNC-GLQYFDAESA-N 317.389 2.205 0 50 DEAA CNCC1CCN(C(=O)/C=C/c2cc(C)ccc2OC)CC1 237343785 OUALEEWWFFMOQZ-FNORWQNLSA-N 302.418 2.475 0 50 DEAA Cc1nc(CN2C(=O)N[C@](C)(c3ccccn3)C2=O)sc1C 173329937 ZAYWSGHRARGBGU-OAHLLOKOSA-N 316.386 2.122 0 50 DEAA CO[C@H]1CN(C2CCN(c3ccc(F)cc3C)CC2)CC[C@H]1N 71746099 HRCRNUZGYVPAMD-AEFFLSMTSA-N 321.440 2.151 0 50 DEAA COc1ccc(-c2ccc(CNCCNCCO)o2)cc1Cl 32497010 FPWIOXVFWOEFCM-UHFFFAOYSA-N 324.808 2.280 0 50 DEAA Nc1cc(CN2CCC[C@@H](C(=O)N3CCCCCC3)C2)ccn1 373899118 UJXXXWMTTCDJLO-MRXNPFEDSA-N 316.449 2.278 0 50 DEAA C[C@@H]1CN(C(=O)C2(Cc3ccc(Cl)cc3)CC2)CC(=O)N1 453039751 IRQXYKWKULMEAD-LLVKDONJSA-N 306.793 2.010 0 50 DEAA COc1cccc([C@@](C)(CC(=O)O)NC(=O)[C@@H]2CCCCO2)c1 263168057 KGIWPFYBWHOORH-WMLDXEAASA-N 321.373 2.070 0 50 DEAA O=C(Nc1ccc2c(n1)CCC2)NC1CCC(C(=O)O)CC1 263197536 WRPVYKQIBIKTCI-UHFFFAOYSA-N 303.362 2.335 0 50 DEAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccccc1C(F)(F)F 222275279 QRLJUXYKKSUMLY-STQMWFEESA-N 316.323 2.154 0 50 DEAA CC(C)n1ccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)n1 288440051 DYJTWYGPZNQPNN-NSHDSACASA-N 318.343 2.221 0 50 DEAA CCC(=O)c1ccc(OCC(=O)N2CC[C@H](COC)C2)cc1 220752564 MYEGHKDOIATZOR-ZDUSSCGKSA-N 305.374 2.153 0 50 DEAA c1ccc(-n2cnnc2CC2CCN(Cc3c[nH]cn3)CC2)cc1 82097765 KRIDTXOROXLHOP-UHFFFAOYSA-N 322.416 2.445 0 50 DEAA O=C(O)[C@H]1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 178269991 KEEMXAZCBCTZAV-NSHDSACASA-N 302.305 2.368 0 50 DEAA CC(=O)N[C@@H]1CN(Cc2cccnc2)C[C@H]1c1ccc(C)cc1 77302077 NLWVGAGUGNAUBD-RBUKOAKNSA-N 309.413 2.494 0 50 DEAA CC[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1c1ccc(C)cc1C)[C@@H]42)[C@H]3O 238924097 QXNZQWOXBSCGBO-KGFNBLEVSA-N 313.397 2.398 0 50 DEAA COC[C@H](c1ccccn1)N(C)C(=O)c1cn2ccccc2n1 97570993 CFCUIXRNKCGYPQ-OAHLLOKOSA-N 310.357 2.189 0 50 DEAA CCCN1CCC(CC(=O)N[C@@H](CO)c2ccc(F)cc2)CC1 95504560 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315.402 2.044 0 50 DEAA O=C(CC1CCCC1)NCC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 126151374 HVUPXLGUAOLSMF-KFKAGJAMSA-N 312.413 2.137 0 50 DEAA CN1C[C@H](NC(=O)Nc2nc3c(s2)CCC3(C)C)CCC1=O 333139225 CDBKACZEGTVCAW-SECBINFHSA-N 322.434 2.109 0 50 DEAA CCOc1ccc(C[C@H](CNC(=O)[C@@H]2C[C@@H]2C)C(=O)O)cc1 236997081 XZXMLKPGHLNZBN-NJZAAPMLSA-N 305.374 2.101 0 50 DEAA COc1ccc(CC(=O)N(C)[C@@H](C)c2ccon2)cc1OC 216180364 PNUSXWWZYDIOGA-NSHDSACASA-N 304.346 2.454 0 50 DEAA CNCC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 237273294 OVVADXYETXMQRT-LJQANCHMSA-N 310.397 2.437 0 50 DEAA Oc1ccc(CC[C@H]2CCCCN2CCCn2cnnn2)cc1 72463524 WSBUGWSLIVOYMQ-MRXNPFEDSA-N 315.421 2.256 0 50 DEAA CN(C)CC[C@H]1CCCCN1S(=O)(=O)c1ccsc1 77354794 YYGLRIVSLQYNIH-GFCCVEGCSA-N 302.465 2.243 0 50 DEAA COc1cccc2c1N(S(=O)(=O)C[C@@H](C)OC)CC[C@@H]2C 242001120 VDCHCWFNIROYHX-NWDGAFQWSA-N 313.419 2.374 0 50 DEAA C[C@@]1(c2ccccc2)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCO1 606445605 UBLFBWLSEVPRNB-RKVPGOIHSA-N 311.385 2.287 0 50 DEAA 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2.015 0 50 DEAA CC(=O)NCc1ccc(CC[C@@H]2COc3ccccc3O2)nc1 244873538 WRWNFLYBNVIZKE-MRXNPFEDSA-N 312.369 2.490 0 50 DEAA CC(C)N1C(=O)N[C@@H]2CN(CCOc3ccccc3F)CC[C@@H]21 299744392 OMHFOPAIDREVQN-CABCVRRESA-N 321.396 2.081 0 50 DEAA CCn1nc(C)c([C@@H](C)NC(=O)CCCc2cn[nH]c2)c1C 299792341 GDNHXPQLAPDNSE-LLVKDONJSA-N 303.410 2.443 0 50 DEAA Oc1nc(N2CCCO[C@@H](c3ccccc3)C2)nc2n[nH]cc12 1337027164 LSOYCNKLGYGYGX-CYBMUJFWSA-N 311.345 2.027 0 50 DEAA Cc1cn(C)nc1CNc1ccccc1CN1CCC(O)CC1 1422666122 JXYFVTQEJRZIBW-UHFFFAOYSA-N 314.433 2.297 0 50 DEAA CCn1c(SCC[C@H]2CCNC2=O)nnc1-c1ccco1 408518541 MPOHWFZGARGIST-SNVBAGLBSA-N 306.391 2.176 0 50 DEAA CCNC(=O)C[S@@](=O)c1cccc(NC(=O)C2(C)CCC2)c1 408516667 NEGGUCFBCITVPM-JOCHJYFZSA-N 322.430 2.059 0 50 DEAA C/C(=C\C(=O)N1CCOC[C@@H]1c1ncon1)c1cccc(F)c1 222060969 MCMAPCPOWJFECX-DPQIITEBSA-N 317.320 2.212 0 50 DEAA CC(C)c1nnc([C@@H]2COCCN2C(=O)c2ccsc2)o1 275331384 KACAZJRAQJPPTM-NSHDSACASA-N 307.375 2.468 0 50 DEAA Cc1nnc([C@@H]2COCCN2C(=O)CCCc2cccs2)o1 275357953 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314.461 2.318 0 50 DEAA CN(C(=O)c1ncoc1-c1ccccc1Cl)[C@@H]1CCNC1 179052941 NASSHBNHXIWQML-SNVBAGLBSA-N 305.765 2.429 0 50 DEAA Cn1nc(-c2ccc(F)c3cccnc23)nc1N1CCOCC1 426518199 DXEMLVUOWDABMK-UHFFFAOYSA-N 313.336 2.006 0 50 DEAA Cn1ncc(C(=O)O)c1C(=O)Nc1cccc(C(F)(F)F)c1 20614394 LJFAYGSTBUSFSA-UHFFFAOYSA-N 313.235 2.389 0 50 DEAA NC(=O)c1cccnc1N1CCN([C@H]2C=CCCCCC2)CC1 292861860 RQMTZSWHSMIZFR-HNNXBMFYSA-N 314.433 2.191 0 50 DEAA O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cnc(-c2cccnc2)nc1 95371128 MJPXUPNVRPYFGP-IPYPFGDCSA-N 306.369 2.481 0 50 DEAA COc1cccc(OC)c1-c1cn([C@H](C)Cn2cccn2)nn1 91325963 JOSLEOHWPPWQEJ-GFCCVEGCSA-N 313.361 2.420 0 50 DEAA O=C(c1cccnn1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91998110 AQFSSTQIBROQAV-DLBZAZTESA-N 322.412 2.213 0 50 DEAA O=c1c2ccncc2ncn1C[C@H](O)c1ccc(Cl)cc1 180228095 ONVIFQVXKPSANJ-AWEZNQCLSA-N 301.733 2.179 0 50 DEAA COCC[C@]1(CO)CCCN(Cc2ncc(C)c(OC)c2C)C1 91494570 XQXZYSIVXVCGJE-GOSISDBHSA-N 322.449 2.318 0 50 DEAA C[C@H]1C[C@@H](O)CN1C(=O)c1cccc(Br)c1F 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CCCN(Cc1nccn1C)C(=O)[C@@H](C)n1cc(Cl)cn1 299766533 JMTHVMGUDGLLEQ-LLVKDONJSA-N 309.801 2.270 0 50 DEAA O=C(C1CCC1)N1CCN([C@@H]2CCN(c3ccccc3)C2)CC1 670467579 GWWCJNWXFFCOCX-GOSISDBHSA-N 313.445 2.210 0 50 DEAA Cc1noc(C)c1CC(=O)Nc1ccc2nc([C@@H](C)O)[nH]c2c1 952964559 MLJFLNFCDVRDAQ-SECBINFHSA-N 314.345 2.402 0 50 DEAA CC(C)CC[C@]1(C2CC2)NC(=O)N(Cc2csnn2)C1=O 408519608 DBSQDRHISIDCPB-CQSZACIVSA-N 308.407 2.175 0 50 DEAA O=C(CC1CCCC1)NCc1cccc(N2CCOCC2)n1 274837753 RNSIAMBCLUCYJM-UHFFFAOYSA-N 303.406 2.115 0 50 DEAA CCc1ncsc1C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 275405734 NSWWOSQKCRTTLE-QWHCGFSZSA-N 320.418 2.089 0 50 DEAA CN(Cc1ccccn1)[C@H]1CCCN(Cc2csnn2)CC1 275862202 XOWQMXMEULCBRZ-INIZCTEOSA-N 317.462 2.420 0 50 DEAA CN1C(=O)N(CCc2ccccn2)C(=O)[C@H]1Cc1ccccc1 277338725 LHODYAFBVABBHZ-MRXNPFEDSA-N 309.369 2.129 0 50 DEAA Cc1cc(C)c(N2CC[C@H](Sc3nnc(N)[nH]3)C2=O)c(C)c1 190965787 OVKVOXLSLBKZBB-NSHDSACASA-N 317.418 2.210 0 50 DEAA O[C@@H](CC1CCCC1)CN1CCC(Nc2cccnn2)CC1 191333942 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CTQFAGNULPMKDP-BETUJISGSA-N 322.405 2.142 0 50 DEAA c1ccc(-c2csc(CN3CCc4nncn4CC3)n2)cc1 14970712 QCSDPSWQETXJHS-UHFFFAOYSA-N 311.414 2.460 0 50 DEAA CN1CCC(N2CCC[C@@H](NC(=O)C3C(C)(C)C3(C)C)C2)CC1 19218122 YCLKWVCWITWWAT-CQSZACIVSA-N 321.509 2.343 0 50 DEAA CCc1oc(C(=O)N2CCOC[C@@H]2c2nnc(C)o2)cc1C 328614119 VKLINIRSGHRFKD-LLVKDONJSA-N 305.334 2.056 0 50 DEAA C[C@H](C(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1)n1cncn1 328728338 VOZKZBCYOQAJLD-WVZRYYJFSA-N 318.421 2.035 0 50 DEAA CN(C)C(=O)C[C@]1(O)CCCN(c2ccc3ccccc3n2)C1 643719505 BXBVTRWLKVPOCM-GOSISDBHSA-N 313.401 2.044 0 50 DEAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)O)cc2)n1 237681684 FSRFCOCETTWCPG-OAHLLOKOSA-N 313.357 2.178 0 50 DEAA Cc1ccc(C(=O)N[C@H](C(=O)Nc2cc(C)n[nH]2)C(C)C)cc1 265080195 QBLOEIVJJTYHOS-HNNXBMFYSA-N 314.389 2.420 0 50 DEAA Cc1cccc(CN2CC[C@H](NC(=O)CN(C)C3CCC3)C2)c1 913709667 UAVWIMOJMQKPAW-KRWDZBQOSA-N 315.461 2.170 0 50 DEAA C[C@H](OC(=O)c1cnccn1)C(=O)Nc1cccc2ncccc12 823198933 NBUSRQQAFMMEQV-NSHDSACASA-N 322.324 2.209 0 50 DEAA Cc1nnccc1NC(=O)N1Cc2cccnc2N2CCC[C@@H]2C1 930816351 JLKPVRWNMURJFG-CQSZACIVSA-N 324.388 2.197 0 50 DEAA COc1ccc2c(c1)OCC[C@H]2NC[C@H](O)c1ccccn1 853100799 NHMGRLIRRVCNFH-ZBFHGGJFSA-N 300.358 2.237 0 50 DEAA O[C@@H]1C[C@H](N[C@@H](c2ccc(F)cc2)C2CC2)[C@H]1n1cccn1 886096794 FVVCVAWOWAGXJQ-YLFCFFPRSA-N 301.365 2.437 0 50 DEAA CC[C@H](CC(=O)N1C[C@@H](CO)[C@@H](CCO)C1)c1ccccc1 1775254138 GQWWIWTZKFHGKZ-PVAVHDDUSA-N 305.418 2.020 0 50 DEAA CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCCn2ccnc2)C1(C)C 404706054 JFUSNEPREFQXDB-QWHCGFSZSA-N 308.426 2.165 0 50 DEAA O=C(NC1CC[C@@H]2[C@@H](CC1)C2(F)F)[C@@]12C[C@H]3CC[C@H](N3)[C@@H]1C2 2325779094 GRUICSWTTSOWLG-JDPLCVSVSA-N 310.388 2.457 0 50 DEAA O=C(OCc1coc(C2CC2)n1)c1c[nH]nc1[C@@H]1CCCO1 869898221 IKMYTHHKQKTHSQ-LBPRGKRZSA-N 303.318 2.484 0 50 DEAA CC(=O)Nc1cccc(OC2=NS(=O)(=O)c3ccccc32)c1 284637 UEUMODDXHXMSGC-UHFFFAOYSA-N 316.338 2.173 0 50 DEAA O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(F)cc1F 617589 CUNCMWZAFQMNJD-UHFFFAOYSA-N 315.283 2.257 0 50 DEAA CCc1cc(C(=O)NCc2cnn(CCOC)c2)sc1C 225709499 RYBYUMHCAOAWTM-UHFFFAOYSA-N 307.419 2.392 0 50 DEAA Cc1ccc(S[C@H](C)C(=O)NCc2nnc3n2CCC3)cc1 54904506 OVEFFZGYFRNBPQ-GFCCVEGCSA-N 316.430 2.330 0 50 DEAA O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1cccnc1S 133979912 FIJYKVLTNLISGL-ZDUSSCGKSA-N 319.430 2.034 0 50 DEAA C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 248097162 MWVJTOVVTDFJDL-WCUVEOEZSA-N 304.365 2.042 0 50 DEAA CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCC(C(N)=O)CC1 20454353 IBVMSSGUJSTWLJ-OAHLLOKOSA-N 318.417 2.185 0 50 DEAA CCNC(=O)NC[C@H]1CCCN(Cc2coc(C(C)C)n2)C1 67787984 ZLTUTSKPHJAJSD-CYBMUJFWSA-N 308.426 2.329 0 50 DEAA O=C(Nc1cccc(OCCF)c1)N[C@H]1CCc2cn[nH]c2C1 253421476 WHASFUYAOYJCRE-ZDUSSCGKSA-N 318.352 2.437 0 50 DEAA C=CCN1CCN([C@@H](C(=O)O)c2ccc(OC(C)C)cc2)CC1 63846712 ZDHQEUYPGDNTNU-QGZVFWFLSA-N 318.417 2.403 0 50 DEAA C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)N[C@H](C)CC[C@@H]1CCCO1 252511036 DGNGTOLYHVFCMW-FZKCQIBNSA-N 311.470 2.316 0 50 DEAA 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CCOC[C@@H]1CCCN1C(=O)c1c[nH]c(=O)c2ccccc12 97272337 BHEOAGFAQQYGNV-LBPRGKRZSA-N 300.358 2.169 0 50 DEAA CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCc1cscn1)CC2 299744785 PWZLSNBRWNMNQL-SNVBAGLBSA-N 304.419 2.411 0 50 DEAA Cc1cccc(C)c1OC1CN(C(=O)[C@H]2CC[C@@H](O)CC2)C1 244715993 LGLUNBDHEVKHEM-GASCZTMLSA-N 303.402 2.444 0 50 DEAA Cc1c[nH]c(C(=O)NCCN2CCC(c3ccccc3)CC2)n1 252481399 CKLGWGPGCVUSFZ-UHFFFAOYSA-N 312.417 2.328 0 50 DEAA O=C(NC1CCCC1)c1nnn2c1CO[C@@H](c1ccccc1)C2 263618626 URBXSXYICSAKQM-OAHLLOKOSA-N 312.373 2.222 0 50 DEAA CCc1nnc(CNC(=O)c2c[nH]nc2C2CCCCC2)o1 534647827 NACGABAZZMJAEU-UHFFFAOYSA-N 303.366 2.333 0 50 DEAA Cc1ccc(N2CCCC2=O)cc1NC(=O)NCC1(C)COC1 299800581 XRGATWOHERAQFN-UHFFFAOYSA-N 317.389 2.280 0 50 DEAA C[C@H]1Cc2cc(NC(=O)CCN3CCCCC3=O)ccc2O1 828059993 QXWWMWSMYUZUOH-LBPRGKRZSA-N 302.374 2.351 0 50 DEAA O=C(O)[C@H]1CN(Cc2ccccc2OC2CCCC2)CC[C@H]1O 1529188746 BDTQPTRXHPQEJC-JKSUJKDBSA-N 319.401 2.275 0 50 DEAA C[C@H]1OCC[C@H]1NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 408474211 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2.205 0 50 DEAA CCC(CC)(CC)S(=O)(=O)CC(=O)N1C[C@@H](C)O[C@H](C)C1 190839761 AQLSCQYOSOSZNF-CHWSQXEVSA-N 319.467 2.006 0 50 DEAA C[C@H]1CCN(Cc2cccc3cnccc23)CCS1(=O)=O 192049739 IGXWEEXKLNVDJP-ZDUSSCGKSA-N 304.415 2.244 0 50 DEAA O=C(NCc1ccc(CO)c(F)c1)c1cnn(C2CCC2)c1 1615044135 HHGXSDZPOVTRFL-UHFFFAOYSA-N 303.337 2.170 0 50 DEAA COC(=O)[C@@H]1CCCCN1C(=O)c1cccc2ncsc12 1866345043 KHRKPKRFWPTMRS-LBPRGKRZSA-N 304.371 2.464 0 50 DEAA O=C(COc1ccc(Br)cc1)NC[C@@H]1CCCO1 37571 VSNMMLDUKJHNBU-LBPRGKRZSA-N 314.179 2.123 0 50 DEAA CO[C@H](C)c1nnc(NC(=O)COCc2ccccc2)s1 1506396067 MRURNPHCFRBXJP-SNVBAGLBSA-N 307.375 2.401 0 50 DEAA OCCN1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704298081 DZIYRKZXHAAGGV-IBGZPJMESA-N 309.413 2.416 0 50 DEAA COC(=O)[C@H](c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 1772575805 AMTFAEHERIQIJV-AWEZNQCLSA-N 313.284 2.336 0 50 DEAA COc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)cc1 5042693 JLBPKHFRVCADBL-SNVBAGLBSA-N 319.386 2.206 0 50 DEAA Cn1cc(CN2CCC[C@@H](CNC(=O)c3cccs3)C2)cn1 12094454 CKNYAHYCGCYREX-ZDUSSCGKSA-N 318.446 2.124 0 50 DEAA CC1CCN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)CC1 16649733 MGLLDBUNRHPIHD-CQSZACIVSA-N 308.328 2.329 0 50 DEAA COC(=O)[C@H](COC(C)(C)C)NC(=O)OCc1ccccc1 2556681 UMAXPCYVVRYQNO-ZDUSSCGKSA-N 309.362 2.270 0 50 DEAA in-vitro COc1ccccc1C[C@H](CNC(=O)C1CC=CC1)C(=O)O 237261223 PWQMWZYCZISDLN-CQSZACIVSA-N 303.358 2.021 0 50 DEAA C[C@H](C(N)=O)N(C)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 225421294 LPWWFQIBWLRICK-ZCFIWIBFSA-N 308.687 2.305 0 50 DEAA CC[C@@H](C(=O)O)N1CCC(Cc2nc(C3CCC3)no2)CC1 629371688 BJWGUUNVLKJMAM-ZDUSSCGKSA-N 307.394 2.455 0 50 DEAA Cc1c(NC(=O)[C@@H](O)C2CCC2)cnn1-c1ccccc1F 450270460 SAXDIGUJCAIRDB-HNNXBMFYSA-N 303.337 2.419 0 50 DEAA O=C1NCCCC[C@@H]1NC(=O)N1CCc2cccc(Cl)c2C1 655004849 NFEQTNDNKWHTTC-AWEZNQCLSA-N 321.808 2.076 0 50 DEAA Cn1c(-c2nc(-c3ccc(O)nc3)no2)cc2ccccc2c1=O 347043433 WGNXHCZTHLBDBE-UHFFFAOYSA-N 320.308 2.356 0 50 DEAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCOC1 252479494 BGHIINCQFDIZSK-FFHGMXDLSA-N 303.406 2.084 0 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2.114 0 50 DEAA O=C(Nc1cnn(Cc2ccncc2)c1)c1ncn2ccccc12 1875324275 PTOLKZCOMILSCC-UHFFFAOYSA-N 318.340 2.226 0 50 DEAA O=C(O)[C@]1(O)CCCN(CCOc2cccc3ccccc23)C1 888097528 NXIVSBGGVZLIGD-SFHVURJKSA-N 315.369 2.130 0 50 DEAA Brc1cnc(N2CC[C@@H](C3CCOCC3)C2)nc1 328586488 IWLCYXNMSKIONV-LLVKDONJSA-N 312.211 2.492 0 50 DEAA Cc1cnc2c(C(=O)N3CC[C@H](c4ncccc4C)C3)cnn2c1 2325808608 HZJKWSFRJBEEDW-AWEZNQCLSA-N 321.384 2.371 0 50 DEAA Cc1cc(OCC(=O)N(C)C)c2c3c(c(=O)oc2c1)CCCC3 83562 UNVQWUVGBYFYHQ-UHFFFAOYSA-N 315.369 2.447 0 50 DEAA biogenic O=C(COc1ccc(F)cc1)NCc1ccc2c(c1)OCO2 462057 FKTZCYZOEIEHJI-UHFFFAOYSA-N 303.289 2.250 0 50 DEAA CC[C@H](Sc1nncn1C)C(=O)Nc1ccccc1OC 466275 MSIKTIOXWPTRRI-LBPRGKRZSA-N 306.391 2.333 0 50 DEAA CC(C)c1ccc(N2C[C@H]3[C@@H](CN(C)C)[C@@H]4CC[C@@]3(C2)O4)nn1 2356145282 JJPUKQJBDNPCGH-OAOQPFQOSA-N 316.449 2.145 0 50 DEAA Cc1occc1C(=O)N1CCCN(C(=O)c2ccoc2C)CC1 2752515 ZLPQOLAMBPHRTE-UHFFFAOYSA-N 316.357 2.478 0 50 DEAA C[C@H](NC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](O)C2)c1ccccc1 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2.184 0 50 DEAA CC(C)NS(=O)(=O)CCNCC12CC3CC(CC(C3)C1)C2 670419532 LKVZGFRFQWOFAB-UHFFFAOYSA-N 314.495 2.120 0 50 DEAA COC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 292477 TZABEFQPIFZSDQ-QWHCGFSZSA-N 305.330 2.303 0 50 DEAA O=C(NC[C@H]1CCCOC1)c1c(F)cccc1-n1cccn1 408520290 YIZHIUGTQHRYMO-GFCCVEGCSA-N 303.337 2.168 0 50 DEAA Cc1ccc2c(c1)N(C(=O)CNC(=O)c1cccnc1)CCC2 124249128 KJWHNNOVHIIXLQ-UHFFFAOYSA-N 309.369 2.099 0 50 DEAA COc1cccc(C(=O)N2C[C@H](OC)C[C@H]2c2ncc[nH]2)c1F 644120690 KITWMHADGISVLC-PWSUYJOCSA-N 319.336 2.160 0 50 DEAA Cc1cc(S(=O)(=O)NC[C@@H]2CCCNC2)c(Cl)cc1F 237788823 PEKYKPHUGXVYKO-SNVBAGLBSA-N 320.817 2.065 0 50 DEAA CC(=O)N1CCC[C@@H](c2nc(-c3ccc4c(c3)CCO4)no2)C1 154861986 VFNQYPZUAWYCLL-CQSZACIVSA-N 313.357 2.397 0 50 DEAA CCOC1CC(CN2CCOc3ccccc3[C@@H]2C(=O)O)C1 903931487 UCGMLWZMHWVRPZ-SEEARECTSA-N 305.374 2.322 0 50 DEAA O=C(O)[C@H]1CN(Cc2ccc(C(F)(F)F)c(F)c2)CC[C@@H]1O 1704300175 WBUXINRHPZXFKA-CABZTGNLSA-N 321.270 2.112 0 50 DEAA 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306.406 2.194 0 50 DEAA COc1ccccc1-n1cc([C@H]2CC(=O)Nc3n[nH]cc32)cn1 65373537 AMIZTKSNNCFOQQ-LLVKDONJSA-N 309.329 2.078 0 50 DEAA Nc1nnc(CCCNC(=O)C[C@H]2CCc3ccccc32)s1 65394596 KQEBBZXSNKTETF-GFCCVEGCSA-N 316.430 2.289 0 50 DEAA Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nn1 65365282 JJWCODSVCARUFA-UHFFFAOYSA-N 315.352 2.278 0 50 DEAA CNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 116397955 SPUQGKJLCOFUOD-UHFFFAOYSA-N 318.114 2.376 0 50 DEAA CC(C)c1noc([C@H]2CCCCN2C(=O)[C@@H](C)n2cncn2)n1 20821441 ONIFDGGLEMGRLW-VXGBXAGGSA-N 318.381 2.099 0 50 DEAA C[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCc2c1cnn2CCO 252467547 RDYXXOHYLCXHQF-YUELXQCFSA-N 320.437 2.131 0 50 DEAA O=C(Cn1ccc2ccccc21)NS(=O)(=O)C1CCCC1 151220108 TZFFBPREDOBGRH-UHFFFAOYSA-N 306.387 2.030 0 50 DEAA C[C@@H](CC1CCOCC1)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 328628276 HCVAYYBSGXTARB-RRQGHBQHSA-N 307.438 2.435 0 50 DEAA Cc1cccc(CCCNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c1 77393349 VUIADRNSLKBANI-MRXNPFEDSA-N 302.418 2.301 0 50 DEAA CC(=O)N[C@@H]1CCCN(Cc2nn(C)c3cccc(Cl)c23)C1 215531235 GVSLUDMZTRBGJH-GFCCVEGCSA-N 320.824 2.327 0 50 DEAA Cc1nc2n(c1CN1CCN(c3ccccn3)CC1)CCCC2 371777010 DURIUVFMLDXXRC-UHFFFAOYSA-N 311.433 2.245 0 50 DEAA C[C@@H]1CN(C(=O)CSC[C@@H]2CCCCO2)c2cccnc2O1 158812413 RKRPBVLCMCSLQW-OLZOCXBDSA-N 322.430 2.498 0 50 DEAA O=C(c1cnc(C2CC2)nc1)N1CCN2CCOc3cccc1c32 333580929 RJEQGZCSBGVRNU-UHFFFAOYSA-N 322.368 2.213 0 50 DEAA O=C(O)[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)Cc2ccccc21 374174330 MZNUEUFBGOLFAR-CQSZACIVSA-N 321.336 2.387 0 50 DEAA COc1cc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)ncn1 157954798 HVZGRONDTOYFPO-UHFFFAOYSA-N 309.329 2.232 0 50 DEAA COc1cc(/C=C/C(=O)N2CC[C@@H](N)C[C@H]2C)cc(OC)c1 237209405 VZSRIBHXYOYTRK-BSWNYTGASA-N 304.390 2.055 0 50 DEAA CC(C)n1ccc(NC(=O)NCc2ccc(C(=O)O)cc2)n1 262583717 ZJSCMTUEXIHZBN-UHFFFAOYSA-N 302.334 2.484 0 50 DEAA CCn1cc(C2CCN(C(=O)N[C@@H]3CCOC3(C)C)CC2)cn1 334066041 DDZQSXSCQVPFHI-OAHLLOKOSA-N 320.437 2.360 0 50 DEAA O=C(c1cnc[nH]c1=O)N1CCC(CCc2ccccc2)CC1 77521921 MFMWEEIIBBXZGY-UHFFFAOYSA-N 311.385 2.255 0 50 DEAA O=C1CCCN1[C@H]1CCCN(CCOCc2ccccc2)C1 71759285 SCCRWYYUCHONSD-KRWDZBQOSA-N 302.418 2.290 0 50 DEAA CC(C)[C@@H](C)NC(=O)CN1CCC(Cc2cccnc2)CC1 378412809 BNWNAYLMVWCTGE-OAHLLOKOSA-N 303.450 2.497 0 50 DEAA C[C@@H]1CN(CCC2CCN(CCn3ccnc3)CC2)C[C@@H](C)O1 131636930 QVMVDEPCYPZFMD-IAGOWNOFSA-N 320.481 2.094 0 50 DEAA Cc1oc(C(C)C)cc1C(=O)N1CCN(c2cnccn2)CC1 285678940 ZVHQTTFNHVUZNA-UHFFFAOYSA-N 314.389 2.464 0 50 DEAA C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CN1CSCC1=O 176174336 ZEEYWPAQSSOMAH-HWPZZCPQSA-N 322.405 2.098 0 50 DEAA O=C(C[C@@H]1CCCC(=O)N1)Nc1cnn(-c2ccccc2F)c1 289710008 ITKJFLYEKGUFIU-NSHDSACASA-N 316.336 2.009 0 50 DEAA Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@](C)(O)C3)c2C)no1 177973904 RGXIQZJOTGRPTA-KRWDZBQOSA-N 317.389 2.030 0 50 DEAA O=C(c1cccc(-c2ccccc2F)c1)N1CCOC[C@H]1CO 223141379 KUKNISFNAKJXRB-OAHLLOKOSA-N 315.344 2.326 0 50 DEAA CCCN(Cc1nccn1C)C(=O)N[C@@H](C)Cc1ccccn1 426711238 GKVHKEHKNFZAKW-AWEZNQCLSA-N 315.421 2.368 0 50 DEAA COc1ccc(-c2nc(C(=O)N(C)C)n[nH]2)c2ccc(C)nc12 426377957 KEEOZNTUBGSXHT-UHFFFAOYSA-N 311.345 2.039 0 50 DEAA CC(C)Cn1cncc1CNC(=O)c1scc2c1OCCO2 223558701 PJPUYPYACHSAEN-UHFFFAOYSA-N 321.402 2.302 0 50 DEAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCCc1cccc(F)c1)C2 426489852 BTWCNGGTERIDMW-FOLVSLTJSA-N 306.381 2.435 0 50 DEAA CCc1cccc(OCCN(C)C(=O)N[C@H](C)CN(C)C)c1 426490283 XBGNJXIMNPLJQO-CQSZACIVSA-N 307.438 2.219 0 50 DEAA COc1ccc2[nH]cc(CC(=O)N3CC[C@@](C)(C(=O)O)C3)c2c1 237261354 VGWPJZGHYUYDJJ-QGZVFWFLSA-N 316.357 2.042 0 50 DEAA Cc1nc(NCc2nc(C)c(C)s2)cc([C@@H]2CCOC2)n1 426746115 PJBOIOPKHVEKSM-GFCCVEGCSA-N 304.419 2.974 0 50 DEAA COC(=O)c1ccc2ccn(C[C@H]3CCCN(C)C3)c(=O)c2c1 95353093 YFQUXVKSKHXUTI-ZDUSSCGKSA-N 314.385 2.130 0 50 DEAA Cc1cc(CC(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)on1 91907115 DIGKWGXNUFUKNB-HNNXBMFYSA-N 314.385 2.109 0 50 DEAA Cc1nnc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)o1 95376303 JZONRZMHZYDCKR-DLBZAZTESA-N 312.417 2.474 0 50 DEAA Cc1cccc([C@H](C(=O)NCCCn2ccc(C)n2)N(C)C)c1 91650194 MOMDYOLDISYRIS-QGZVFWFLSA-N 314.433 2.309 0 50 DEAA C[C@@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1CO 621369649 SVBANZMZYLWGQK-DKSSEZFCSA-N 316.445 2.204 0 50 DEAA CSCC(=O)NC[C@@H](C)Cn1nc(C)cc1C(F)(F)F 252494878 OHHCXKRQUULGRN-MRVPVSSYSA-N 309.357 2.326 0 50 DEAA O=C(O)c1ccc(CCNC(=O)[C@H]2COc3ccccc32)cc1 299745135 WKMVEKRUEUADII-HNNXBMFYSA-N 311.337 2.220 0 50 DEAA Cc1cccc(OC2CN(C(=O)NCC[C@@H](C)N(C)C)C2)c1 534585959 SYYXPMSSUDCRJG-CQSZACIVSA-N 305.422 2.108 0 50 DEAA O=C(O)[C@@H]1CN(Cc2cc(CN3CCCCC3)cs2)CCO1 534637666 ORHPHUDBDGBZIO-HNNXBMFYSA-N 324.446 2.019 0 50 DEAA Cc1cnccc1C(=O)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1 629268083 ZNRXSROIWHUWFY-SWLSCSKDSA-N 300.362 2.011 0 50 DEAA CN(C(=O)c1ccc(Cl)cc1F)C1CCS(=O)(=O)CC1 299791820 DSFJUPCWCPFCEA-UHFFFAOYSA-N 319.785 2.128 0 50 DEAA CC(C)[C@@H](CNC(=O)c1onc2c1CCCC2)N1CCCC1 820696222 BXHMOSZDMIJRIY-OAHLLOKOSA-N 305.422 2.404 0 50 DEAA Cc1nc2ccc(CC(=O)NCCC3(O)CCCC3)cc2[nH]1 670449726 MUGHBEAAPFMMFF-UHFFFAOYSA-N 301.390 2.225 0 50 DEAA COCc1nc(CCc2cccnc2)n(-c2cccc(C)n2)n1 670437263 SNLRDVWCIIKUOZ-UHFFFAOYSA-N 309.373 2.297 0 50 DEAA CCCc1nnc(N2CCCN(C(=O)C3CCC3)CC2)s1 670435236 ZVWFLMOFENSZNH-UHFFFAOYSA-N 308.451 2.329 0 50 DEAA COCCN1CCC[C@H](CNCc2ccc(C)c(OC)c2)C1 952991175 PNOBZODFQYHHNT-QGZVFWFLSA-N 306.450 2.452 0 50 DEAA COCc1nc(C)c(C(=O)OCc2cc(OC)ns2)s1 888099518 OCTZJAPLSHQNKD-UHFFFAOYSA-N 314.388 2.420 0 50 DEAA Cc1nn(C)c(C)c1CCNC(=O)[C@H]1CCCO[C@@H]1C(C)C 408474798 QRGWJNOFOSQVMK-JKSUJKDBSA-N 307.438 2.147 0 50 DEAA O=C1NCCCC[C@@H]1NCc1ccc(F)cc1Br 219026071 ABBKNNYJVQTDTL-LBPRGKRZSA-N 315.186 2.347 0 50 DEAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cn[nH]c2)C1 171022725 VZRXJEQIXSWHIZ-LBPRGKRZSA-N 320.780 2.080 0 50 DEAA CCOCC[C@@H](O)CN1CCN(c2cccc(C)c2C)CC1 277536536 PIWJYKHVJYRASZ-QGZVFWFLSA-N 306.450 2.213 0 50 DEAA CC[C@H](C(=O)Nc1cc(C(F)(F)F)ccn1)N1CCCC1=O 170593487 UTIPDRYBBSAGAZ-SNVBAGLBSA-N 315.295 2.440 0 50 DEAA Cc1ccc2ncnc(NCCN3CCOC(C)(C)C3)c2c1 170640410 AZPBIAVZVSGODS-UHFFFAOYSA-N 300.406 2.461 0 50 DEAA CCC[C@@H](N)C(=O)NCCc1cc(Br)ccc1F 170673710 KYXHLAPAAIEMJC-GFCCVEGCSA-N 317.202 2.374 0 50 DEAA CCOC(=O)[C@@]1(C(C)C)CCN(c2ncnc3onc(C)c23)C1 192552804 BYNCEXJMBCDORF-INIZCTEOSA-N 318.377 2.342 0 50 DEAA CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H](NCCCO)C(C)(C)[C@@H]21 693716649 ZLAFFOUSGJNMMM-MGPQQGTHSA-N 312.454 2.383 0 50 DEAA CCn1cc(Cl)c(NC(=O)[C@H]2NCCOc3ccccc32)n1 1615548212 RHEPBZJGDOMSEV-ZDUSSCGKSA-N 320.780 2.218 0 50 DEAA CCc1nc(OC)ccc1NC(=O)[C@@H]1CCn2ccnc2C1 1615617627 FITIOZQNEAEHIT-LLVKDONJSA-N 300.362 2.050 0 50 DEAA COC(=O)[C@H]1CCc2cnccc2N1C(=O)Cc1ccccc1C 1615606306 WEWGTGRSLSFWKB-QGZVFWFLSA-N 324.380 2.454 0 50 DEAA O=C1CCC2(CCN([C@H]3CCN(c4ccccc4)C3)CC2)CN1 1506407702 KYSZYLFDMHHNIA-KRWDZBQOSA-N 313.445 2.258 0 50 DEAA CCCN1CC[C@H](NC(=O)C(C)(C)Nc2ccc(OC)cc2)C1 1506398081 JTTCUBPDUVGDQT-HNNXBMFYSA-N 319.449 2.486 0 50 DEAA O=C(c1ccncc1)N1CCC(N2CCn3cccc3C2)CC1 1506404888 JOHZWBLWAPFMDN-UHFFFAOYSA-N 310.401 2.004 0 50 DEAA Cc1[nH]nc(C(=O)OC[C@H]2CCCOC2)c1Br 760767884 HFDQERCZJCRTMP-QMMMGPOBSA-N 303.156 2.064 0 50 DEAA COCc1nnc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)o1 1772704100 OYGMSIAIWLJGBN-NSHDSACASA-N 313.361 2.476 0 50 DEAA CNCc1nnc(NCCCc2nc3ccc(Cl)cc3[nH]2)o1 1772706972 XECFMUQXPNWQPO-UHFFFAOYSA-N 320.784 2.363 0 50 DEAA CN1CC2(C1)CN(C(=O)[C@H]1CCCc3c1[nH]c1ccccc31)C2 1857696778 CJYMBURAZDKXHZ-HNNXBMFYSA-N 309.413 2.362 0 50 DEAA COc1ccc2c(N[C@H]3CCNC34CCC4)ncnc2c1F 600950175 AAIRLZKRDXNCCE-LBPRGKRZSA-N 302.353 2.474 0 50 DEAA O=C(COc1ccccc1C(F)(F)F)N1CCO[C@@H](CF)C1 412432803 FQTMBJQCENAIAA-JTQLQIEISA-N 321.270 2.281 0 50 DEAA O=C(O)c1csc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 124227372 JJYVHJIAIFPIPU-GHMZBOCLSA-N 302.355 2.261 0 50 DEAA Cc1cc(F)ccc1[C@@H]1CCCN1S(=O)(=O)c1ccnn1C 331621438 OSITWORIDWKMJP-AWEZNQCLSA-N 323.393 2.393 0 50 DEAA OCCc1ccc(OCc2nnc([C@@H]3CCCOC3)o2)cc1 643648002 JKMAJBXVOOYYHR-CYBMUJFWSA-N 304.346 2.077 0 50 DEAA C[C@@H](NC(=O)c1ccc(C(=O)O)o1)[C@@H]1COc2ccccc21 237519764 GMZMUZXZKKAJHL-KOLCDFICSA-N 301.298 2.272 0 50 DEAA COCC1CCC(NC(=O)N2CC[C@@H](n3cc(C)cn3)C2)CC1 334117908 ITMDNFKTKADTPI-UYSNPLJNSA-N 320.437 2.353 0 50 DEAA O=C(Cc1cncs1)N[C@H]1C[C@H](C(=O)O)c2ccccc21 653328068 CZYUBQKPVJLDKE-STQMWFEESA-N 302.355 2.115 0 50 DEAA Cc1cc(C(=O)NC[C@H]2COc3ccccc3O2)nn1C(F)F 341216894 VRZFQLYNHXBWKR-JTQLQIEISA-N 323.299 2.156 0 50 DEAA Cn1nc2c(c1CNC[C@@H](O)c1cc(F)ccc1F)CCCC2 819326408 RKLSWUFXWJNWBR-QGZVFWFLSA-N 321.371 2.400 0 50 DEAA CN(C)c1ncccc1CNc1ccn(-c2ncccc2F)n1 1117496420 BBAORQBKGLSIMR-UHFFFAOYSA-N 312.352 2.480 0 50 DEAA Cn1nccc1[C@@H]1CCCN1CC(=O)Nc1ccc(F)c(F)c1 932271067 ZBRHIYNAIAMTGD-HNNXBMFYSA-N 320.343 2.474 0 50 DEAA CCOc1ccc2nc(-n3cnnc3[S@](C)=O)sc2c1 1875286054 DBQCXOWEJALXIF-FQEVSTJZSA-N 308.388 2.013 0 50 DEAA C[C@@H]1Cc2c(Cl)cccc2[C@H]1NC(=O)c1cc(O)nn1C 1875296163 IKIQGQRHAARHFO-CLAHSXSESA-N 305.765 2.442 0 50 DEAA CC(C)c1ccc([C@@H](C)NC(=O)[C@]23CNC[C@H]2CCO3)cc1 1875273547 JLDNSSIXKWCNRN-QBIMZIAESA-N 302.418 2.366 0 50 DEAA CCCN1C(=O)[C@@](O)([C@H]2COC(C)(C)CC2=O)c2ccccc21 360781 FYDWGAZAHTZYBT-UGSOOPFHSA-N 317.385 2.015 0 50 DEAA biogenic CC(C)(C)c1n[nH]cc1CN1C[C@H](CC(=O)O)OC2(CCC2)C1 2325787314 SAAQLKRFQBMRFD-ZDUSSCGKSA-N 321.421 2.305 0 50 DEAA COc1nc(CN2CCC3(CC2)CC(C(=O)O)C3)ccc1C 2325787403 ZFLPWLKNMMGUFD-UHFFFAOYSA-N 304.390 2.475 0 50 DEAA CN(CCOCc1ccccc1)c1nc2c(s1)CCNC2=O 2325789359 LKQWWJPVGCVZCB-UHFFFAOYSA-N 317.414 2.082 0 50 DEAA C[C@@H]1[C@@H]2[C@@H](c3ccccc3)N(C)C(=O)N(C)[C@@H]2N(C)C(=O)N1C 210293 FVKZTBYVXUIROP-NGFQHRJXSA-N 316.405 2.053 0 50 DEAA CC(C)[C@@H](C(=O)NC(C)(C)C)N1C(=O)c2ccccc2C1=O 405996 RYJRJFLZSRBUOQ-ZDUSSCGKSA-N 302.374 2.222 0 50 DEAA COCCOC(=O)c1c(C)oc2ccc(O[C@H](C)C(=O)O)cc12 1782607 ODAPTVSSFGLOLG-SNVBAGLBSA-N 322.313 2.396 0 50 DEAA biogenic CC(C)(C)OC(=O)N[C@H](CSc1ccccc1N)C(=O)O 2525351 YBVFEWAJVVFSOW-SNVBAGLBSA-N 312.391 2.339 0 50 DEAA CCc1n[nH]c(=S)n1NCc1ccc(OC)c(OC)c1OC 4843084 DEZMXQDBTQDWDQ-UHFFFAOYSA-N 324.406 2.273 0 50 DEAA C[C@@H](Cc1ccccc1)[n+]1[nH]oc(=N)c1CN1CCCCC1 8239823 QFRFFKDWALYFOR-AWEZNQCLSA-N 301.414 2.164 0 50 DEAA CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314506 BCPJQIPFWCDUFZ-UHFFFAOYSA-N 304.371 2.189 0 50 DEAA C[C@@H]1[C@@H](Nc2cc(C(F)(F)F)nc3ncnn23)CCCN1C 343611193 UPYSOHJNVUPOHI-BDAKNGLRSA-N 314.315 2.038 0 50 DEAA CCCN1CCC(NCCc2nc(-c3ccccn3)no2)CC1 65386695 MDOZNKLXXYUCSS-UHFFFAOYSA-N 315.421 2.138 0 50 DEAA COc1ccccc1OC1CCN(C(=O)c2ncc[nH]2)CC1 67726974 DUUASJTWICMGSU-UHFFFAOYSA-N 301.346 2.102 0 50 DEAA O=C(O[C@H]1CCNC1=O)c1sc(Br)cc1Cl 2325810119 VVYNFNOCSANDBV-YFKPBYRVSA-N 324.583 2.209 0 50 DEAA COc1c(F)ccc(F)c1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 425060464 VVSMGBLWDSTPNN-GXFFZTMASA-N 310.344 2.140 0 50 DEAA Cc1cnccc1CNS(=O)(=O)c1cnc2ccccc2c1 252495393 OPRWQAHYIFBCFE-UHFFFAOYSA-N 313.382 2.417 0 50 DEAA CN(C)C[C@H]1CN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)c2ccccc2O1 252511673 JIHQOKVUHNRGGP-SZOQZIPDSA-N 300.402 2.388 0 50 DEAA Nc1nc(CCNC(=O)[C@@H]2CCc3ccccc3C2)cs1 219392984 MVCXJQYTCIAZQB-CYBMUJFWSA-N 301.415 2.189 0 50 DEAA COCC1CCN([C@H]2CCN(c3ccccc3OC)C2=O)CC1 151388031 ROXJLLNMEOOINO-INIZCTEOSA-N 318.417 2.159 0 50 DEAA CN(Cc1ccncn1)C(=O)c1cccc(CCC(C)(C)O)c1 72426702 DLIHNRCWLXLXBG-UHFFFAOYSA-N 313.401 2.452 0 50 DEAA Cc1ccc([C@@H](NC(=O)Nc2cn(C)nn2)c2ccccn2)cc1 361850073 RICRFUTWRQIZFT-MRXNPFEDSA-N 322.372 2.430 0 50 DEAA CCc1ccc(-c2nccn2CCCN2CCC[C@@H](O)C2)nc1 71754370 LEESENGJRLDVED-MRXNPFEDSA-N 314.433 2.354 0 50 DEAA Cc1cc(NC(=O)N2C[C@@H](CO)C[C@@H](C)C2)cn2ccnc12 332624554 OKWYLFXOANYMGX-YPMHNXCESA-N 302.378 2.125 0 50 DEAA Cc1cc(N2CC3(CCOCC3)[C@H]2C(C)C)n2ncnc2n1 334130288 SZJQURYRWGWWQS-CQSZACIVSA-N 301.394 2.074 0 50 DEAA CN[C@@H]1CCCN(C(=O)C[C@H](C)Cc2ccccc2OC)C1 132894918 BJYCTVKNXRMTDO-GDBMZVCRSA-N 304.434 2.474 0 50 DEAA O=C1NC[C@]2(CCCN(Cc3ccc4nsnc4c3)CC2)O1 72144520 QLNAMILWAGESGW-OAHLLOKOSA-N 318.402 2.156 0 50 DEAA CCCC[C@H]1C=CCN1C(=O)Cn1cnc2ccsc2c1=O 71776727 IKOGZSOZTGDVOY-LBPRGKRZSA-N 317.414 2.415 0 50 DEAA c1coc([C@H]2COCCN2Cc2nnc3n2CCCCC3)c1 604888528 XFXWXXRZLIGRJG-CYBMUJFWSA-N 302.378 2.171 0 50 DEAA C[C@@H]1CCN(c2ccnc(C(F)(F)F)c2)CCS1(=O)=O 283776976 PTCNAIQYALTSIV-SECBINFHSA-N 308.325 2.114 0 50 DEAA Cc1ccc2cc(CN3CCOC[C@H]3c3ncnn3C)ccc2n1 284348037 MBHKWUQEJHBDRK-KRWDZBQOSA-N 323.400 2.245 0 50 DEAA C[C@H]1CC[C@@H](CCC(=O)NCc2cccnc2-n2ccnc2)O1 175251080 XXJQYMHWERBNGH-ZFWWWQNUSA-N 314.389 2.231 0 50 DEAA CC[C@H]1Cc2ccccc2CN1S(=O)(=O)c1c(N)noc1C 289803127 JNSFNMZVAVRRHY-ZDUSSCGKSA-N 321.402 2.091 0 50 DEAA COc1ccc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c(OC)c1 135737442 IWHIYJSPCDXHFO-FCIDVOKBSA-N 319.357 2.389 0 50 DEAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1noc(C)n1)CC2 426519022 VDGPZSUMNWAUBI-HLLBOEOZSA-N 321.421 2.317 0 50 DEAA CC(C)c1nc(C(=O)N2CCC(c3nc[nH]n3)CC2)cs1 82982466 UXIYQXBDEQQQDL-UHFFFAOYSA-N 305.407 2.404 0 50 DEAA CC(C)c1cc(C(=O)NC[C@@H](O)c2cccc(F)c2)n(C)n1 82108053 MSRVMENCBIZYNB-OAHLLOKOSA-N 305.353 2.146 0 50 DEAA CCN(Cc1nccn1C)C(=O)NCCc1ccc(OC)cc1 426623189 HTPHTZIXFOOTFF-UHFFFAOYSA-N 316.405 2.203 0 50 DEAA COc1cccc(CCNC(=O)C(C)(C)N2CCCC2)c1OC 426504122 WIVPGKDHWWHZQH-UHFFFAOYSA-N 320.433 2.237 0 50 DEAA CC[C@]1(CNC(=O)c2ccc(O)nc2)OCCc2ccccc21 291324452 VBFLYCSMVNBERX-GOSISDBHSA-N 312.369 2.395 0 50 DEAA CCCN(Cc1nccn1C)C(=O)c1cc(=O)[nH]c2ccccc12 91434861 IYNVDMTXXKVGQE-UHFFFAOYSA-N 324.384 2.314 0 50 DEAA Cc1ccn2cc(C(=O)NCCN3CCc4ccccc43)nc2c1 97514232 NXTKPLKFZLFUBY-UHFFFAOYSA-N 320.396 2.435 0 50 DEAA Cc1cnccc1-c1ccc(C(=O)NCC(=O)N2CCCC2)cc1 426624856 SWDKZGOQTFLLLD-UHFFFAOYSA-N 323.396 2.409 0 50 DEAA COCc1nc([C@@H]2CCOC2)cc(N2CCC(F)(F)CC2)n1 426724071 ZETCUWUOSFQYAE-LLVKDONJSA-N 313.348 2.362 0 50 DEAA CN1CC2(CCC1=O)CCN(CC[C@@H](O)c1ccccc1)CC2 92045547 IBSOSXJZZNEVJA-QGZVFWFLSA-N 316.445 2.445 0 50 DEAA C[C@@H](NC(=O)CCCN1CCCCC1)[C@@H](O)c1ccc(O)cc1 95363797 NXDGRMIGFJHRPP-RDTXWAMCSA-N 320.433 2.196 0 50 DEAA CCc1ccc([C@@H]2COCCN2C(=O)Nc2cccnn2)o1 162402311 GRKNJAQOKDXOMJ-LBPRGKRZSA-N 302.334 2.237 0 50 DEAA Cn1nc2ccccc2c1CN1CCC[C@@H](c2cc(=O)[nH]cn2)C1 23507044 AUMVHERYKHGTIU-CYBMUJFWSA-N 323.400 2.036 0 50 DEAA COCc1cc(CNC(=O)c2ccc3cccc(F)c3n2)n[nH]1 91445034 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DEAA CC[C@H]1CN(C)CCCN1C(=O)CCc1ccc(C(=O)O)cc1 887557364 JRVAISNZLRYSCS-INIZCTEOSA-N 318.417 2.260 0 50 DEAA Cc1ccc(S(=O)(=O)c2ncsc2N2CCOCC2)cc1 1857799786 BOXCYEPPIMKVSL-UHFFFAOYSA-N 324.427 2.121 0 50 DEAA O=c1[nH]c(N2CCc3ccccc3C2)nc2ncc3c(c12)CCC3 22606962 SOSIMFATKSGFEI-UHFFFAOYSA-N 318.380 2.370 0 50 DEAA CCn1c(=O)n(CC(=O)N(C2CCC2)C2CC2)c2ccccc21 2325766624 IJBODAKMFXYCSV-UHFFFAOYSA-N 313.401 2.366 0 50 DEAA O=C(Nc1ccccc1I)[C@@H]1CCCO1 1053442 GNCTUAICDLIJDW-JTQLQIEISA-N 317.126 2.409 0 50 DEAA Cc1cccnc1CC(=O)Nc1cc(-c2cccnc2)nn1C 2356156135 SOISPDBRDBGZEB-UHFFFAOYSA-N 307.357 2.367 0 50 DEAA C[C@H]1CN(Cc2cc(F)c(F)c(F)c2)C[C@H]1N1CCOCC1 245763227 QEXFXCIVOPHCPF-XHDPSFHLSA-N 314.351 2.256 0 50 DEAA Cc1c(CC(=O)NCc2ccco2)c(=O)oc2cc(O)ccc12 4086233 RYLDRNONQFPRRV-UHFFFAOYSA-N 313.309 2.259 0 50 DEAA biogenic C[C@@H]1Cc2cc(C(=O)NC3CCCC3)ccc2N1S(C)(=O)=O 8076279 YKDBBEDJTFIWKM-LLVKDONJSA-N 322.430 2.070 0 50 DEAA CCSc1nnc(NC(=O)CSc2ncccn2)s1 100626251 YPAVOJJHAVQDEB-UHFFFAOYSA-N 313.433 2.171 0 50 DEAA Cc1cccc2[nH]c(CNC(=O)c3c4c(nn3C)CCCC4)nc12 67560000 JPXXLDJQAZTZGN-UHFFFAOYSA-N 323.400 2.414 0 50 DEAA Cc1cc(C)c2c(c1)NC(=O)[C@@H]2CC(=O)N1CCc2[nH]cnc2C1 65454058 AYUMJIQAYUFKQI-GFCCVEGCSA-N 324.384 2.037 0 50 DEAA COc1ccc2oc(CNC(=O)[C@@H]3CCC[C@H](O)C3)nc2c1 1074553302 BTPCTWCYABRPQC-MNOVXSKESA-N 304.346 2.004 0 50 DEAA O=C(O)c1ccccc1CN1CCC[C@H](C(=O)N2CCCC2)C1 67855176 PJWLLOJJQPEGSL-HNNXBMFYSA-N 316.401 2.219 0 50 DEAA Cc1nnc([C@H]2COCCN2C(=O)c2cc(C)c(F)cc2F)o1 328609712 FOZFELURJRKTGI-CYBMUJFWSA-N 323.299 2.178 0 50 DEAA Cc1noc([C@@H]2CC[C@H](CNCc3c[nH]nc3C(C)(C)C)O2)n1 328616186 BLBIZIQSCQUQEX-OLZOCXBDSA-N 319.409 2.409 0 50 DEAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc(C)cn1 328654203 XHTZEADSHWYIIH-WMLDXEAASA-N 300.406 2.474 0 50 DEAA Cc1occc1CN(C)C(=O)[C@@H]1CCO[C@H]1c1ccnn1C 328633630 SRHYXBRJPDPXOE-UKRRQHHQSA-N 303.362 2.058 0 50 DEAA O=C(O)CN1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1 72480025 XENAVMPRUSIYKD-JKSUJKDBSA-N 320.433 2.274 0 50 DEAA O=C(c1ccnc(C2CC2)n1)N1CCC[C@@H](OCC2CC2)C1 330313734 OVGGIHQOXJFPGH-CQSZACIVSA-N 301.390 2.385 0 50 DEAA c1ccc(-n2ncc3c2CN(c2ncnc4n[nH]cc24)C3)cc1 338833094 YHASQDPXLLILGC-UHFFFAOYSA-N 303.329 2.059 0 50 DEAA O=C(CN1C[C@@H](CO)Cc2ccccc21)N1CCc2ccccc21 366399406 KEBRSMAUICFBRA-HNNXBMFYSA-N 322.408 2.247 0 50 DEAA CC(=O)N1CC[C@@H](C(=O)Nc2cnc(C(F)(F)F)cc2C)C1 362298912 DIYBCXXBAAUSCR-SNVBAGLBSA-N 315.295 2.216 0 50 DEAA Cc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)ccc1Cl 132142325 NCFWJIFPUYNTKX-AWEZNQCLSA-N 308.809 2.195 0 50 DEAA CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](O)c2ccccc2)C1 363301769 MNNXBBPVHRCSED-MOPGFXCFSA-N 324.424 2.453 0 50 DEAA C[C@H](N)[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 156145161 UKDAWDUEXSQQQP-HSRYQADGSA-N 316.401 2.057 0 50 DEAA CO[C@@H](C(=O)N[C@H]1COc2ccccc2C1=O)c1ccccc1 129002064 UMICGVGLQDTBNT-WMLDXEAASA-N 311.337 2.134 0 50 DEAA CCCCc1nc(-c2nccn2CCCC(=O)N(C)C)c[nH]1 77339247 CJFNEQQZJOVGRM-UHFFFAOYSA-N 303.410 2.484 0 50 DEAA O=C(NCCCn1ccnn1)c1ccc2[nH]c3c(c2c1)CCCC3 184996989 VZGREVMRIZMOQO-UHFFFAOYSA-N 323.400 2.458 0 50 DEAA CCCC[C@H](C)C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 337535069 VIKPPZTXGDEVGJ-MJBXVCDLSA-N 301.452 2.381 0 50 DEAA CCn1ncc2[nH]c(-c3cc(OC)c(OC)cc3OC)nc21 48428386 IIDNOHRMTYPVNH-UHFFFAOYSA-N 302.334 2.472 0 50 DEAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)ccc1OCCN 426429121 XUWRMIVUVWHSET-FICVDOATSA-N 318.417 2.115 0 50 DEAA CCS[C@@H]1CC[C@@H](NC(=O)NC[C@@](C)(O)c2ccco2)C1 229836200 SYXYDUXRMLSOIH-LALPHHSUSA-N 312.435 2.461 0 50 DEAA Cc1ncsc1CCC(=O)NC[C@@H](CO)Cc1cccs1 82120870 AFZARPVHGZLXFO-LBPRGKRZSA-N 324.471 2.413 0 50 DEAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@H]([C@H](C)N)C1 236834690 YLOMIBHDLOMCMJ-QWRGUYRKSA-N 312.845 2.396 0 50 DEAA CC(C)(C)c1nnc(NCCNC(=O)c2ccc(F)cc2)o1 95376743 WXAODRGAMCHYJE-UHFFFAOYSA-N 306.341 2.348 0 50 DEAA C[C@@]1(C(=O)O)CCCCN1C(=O)CCC(=O)N1CCCCCC1 426698188 HCTGHXCBGYOXRC-KRWDZBQOSA-N 324.421 2.025 0 50 DEAA Cc1cc(C)n(CCN(C)C(=O)[C@H]2COc3ccccc3C2)n1 95520866 VESDAYOJPKSXCG-MRXNPFEDSA-N 313.401 2.210 0 50 DEAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OCC(=O)c1ccccc1 239433118 XFUVBHSAVQVDEC-DARAHFNDSA-N 316.353 2.248 0 50 DEAA CNc1ncc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)cn1 96139299 ZQTHSHVROSVSHS-VIFPVBQESA-N 304.325 2.157 0 50 DEAA O=C(c1cnc2ccccc2c1)N1CCC(Cn2ccnn2)CC1 293581155 AUPPHKXXTBAFFY-UHFFFAOYSA-N 321.384 2.379 0 50 DEAA Cc1c(Cl)cc(C(=O)NC[C@H]2CNCCOC2)cc1Cl 95364353 KVIMAAFYODOJMM-SNVBAGLBSA-N 317.216 2.268 0 50 DEAA O=C(CCc1ccccc1F)N[C@H]1COC[C@@H]1N1CCCCC1 299789143 WIGFBGLQGGECLB-IRXDYDNUSA-N 320.408 2.128 0 50 DEAA c1ccc2sc(N3CC[C@H]4[C@H](C3)OCc3cnnn34)nc2c1 299760457 SKUGLQLPZYGSIB-STQMWFEESA-N 313.386 2.238 0 50 DEAA CCCn1ncnc1[C@H](C)NC(=O)Nc1c(C)nn(CC)c1C 299787095 OWWRNSQLPXLHEV-NSHDSACASA-N 319.413 2.404 0 50 DEAA C[C@H](NC(=O)c1cccc(O)n1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 828928363 LCPWTYCSUGSZKH-WRGUQFPISA-N 316.401 2.237 0 50 DEAA CCN1C[C@@H](NC(=O)/C=C/c2nc3ccccc3s2)CC1=O 493490870 JXDDRCSHIBSMEJ-AEZGRPFRSA-N 315.398 2.047 0 50 DEAA CC1(C)C[C@@](CCNS(C)(=O)=O)(c2ccccc2)CCO1 824864470 PVMCGSULOVZUBK-INIZCTEOSA-N 311.447 2.453 0 50 DEAA O=C(NCC1(N2CCCCC2)CCCC1)[C@H]1CC[C@@H](O)CC1 584902674 FDJHZQSGYLCZNE-IYBDPMFKSA-N 308.466 2.452 0 50 DEAA CN(Cc1cccc2cccnc12)S(=O)(=O)N1CCCC1 952966526 UPUGWJIDYILPRG-UHFFFAOYSA-N 305.403 2.007 0 50 DEAA Cc1cc(NC(=O)[C@H]2CCCCC(=O)N2)ccc1CN(C)C 408520064 WRGJAYYZEPQXOJ-OAHLLOKOSA-N 303.406 2.054 0 50 DEAA Cc1nc(C(C)C)oc1CNC(=O)c1ccc(C(N)=O)cc1 408517405 HPVKXUVYPVNSQO-UHFFFAOYSA-N 301.346 2.135 0 50 DEAA COC(OC)[C@@H](NC(=O)c1nc(C)oc1C)c1ccccc1 408522445 JGIYTDDZDQWENH-AWEZNQCLSA-N 304.346 2.381 0 50 DEAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1coc2ccccc12 275338069 KVEMDLVOTSZIFY-ZFWWWQNUSA-N 311.341 2.426 0 50 DEAA Cc1c([C@H]2OCC[C@@H]2C(=O)N(C)c2ncccc2F)cnn1C 275339475 HKGPZTJOZBGJMB-FZMZJTMJSA-N 318.352 2.003 0 50 DEAA Cn1cccc1-c1nnc(N2CCN(c3ccccc3)CC2)n1C 170086714 YOTZWGMOKLTGFG-UHFFFAOYSA-N 322.416 2.147 0 50 DEAA O=C(N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)C1(O)CCC1 278873011 SRWBFBGGHAQEMX-VIFPVBQESA-N 317.311 2.050 0 50 DEAA C[C@H]1OCCC[C@@H]1C(=O)NCCc1nc2cc(F)ccc2n1C 191458784 NEUWYGHIXCENAX-YPMHNXCESA-N 319.380 2.186 0 50 DEAA C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H](c2ccsc2)O1 193530574 FMIJNLSYBKXJOC-IUODEOHRSA-N 319.430 2.403 0 50 DEAA CCNC(=O)[C@@H]1CC[C@](C)(C(=O)NCc2ccoc2)C1(C)C 210128650 SNXMAYBYKOIZLX-SUMWQHHRSA-N 306.406 2.474 0 50 DEAA CN(C)CC1(CO)CCN(CCCOc2ccccc2)CC1 1772700584 DZDCGNRXXISFHF-UHFFFAOYSA-N 306.450 2.092 0 50 DEAA CC[C@H](c1nc(CC(C)C)nn1-c1ccnn1C)n1cccn1 1772808489 RSBWNRYXFUEZNJ-CYBMUJFWSA-N 313.409 2.395 0 50 DEAA O=C1C[C@@H](c2ncc(-c3cccnc3)[nH]2)CN1Cc1cccnc1 19835472 MJWQFBZOJLZOHY-OAHLLOKOSA-N 319.368 2.383 0 50 DEAA CC1=N[C@@H](CC(=O)O)C(=O)Nc2ccc(Br)cc21 1857530500 CPXSMMSEIOLFOK-JTQLQIEISA-N 311.135 2.054 0 50 DEAA O=C(Cc1ccc(O)cc1)N[C@@H](CC1CCCCC1)C(=O)O 318751967 CDBOFXASNHFYAK-HNNXBMFYSA-N 305.374 2.475 0 50 DEAA Nc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)s1 1125262 QWSFZGSXHJRWCH-UHFFFAOYSA-N 324.475 2.297 0 50 DEAA CN1CC[C@H](C(=O)N2CC=C(c3cccs3)CC2)CC1=O 117722859 CZDVUAWXUZHNGR-ZDUSSCGKSA-N 304.415 2.232 0 50 DEAA Cc1nc(CCC(=O)N2CCNC[C@@H]2C)oc1-c1ccccc1 125854826 RDSUIRIMADKYKJ-ZDUSSCGKSA-N 313.401 2.403 0 50 DEAA Cc1csc([C@H]2CN(c3ncnc(N)c3Cl)CCO2)n1 239352336 ABUOKEIPWDLAET-MRVPVSSYSA-N 311.798 2.055 0 50 DEAA NC[C@H](NC(=O)c1ccc2c(c1)OCCO2)C1CCCCC1 155581358 NMGMOLACLDIZEE-AWEZNQCLSA-N 304.390 2.095 0 50 DEAA CCn1cc(N(CC(C)C)C(=O)c2ccc(C(N)=O)cc2)cn1 585087535 HCJMQXTWIQDUMR-UHFFFAOYSA-N 314.389 2.305 0 50 DEAA Cc1nc[nH]c1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C 585120906 VPUVQMCYYDWQLO-AWEZNQCLSA-N 312.417 2.455 0 50 DEAA O=C(O)[C@H](CCc1ccccc1)N1CCC[C@H](n2cncn2)C1 903892157 WGVAHOHQOKZACK-HOTGVXAUSA-N 314.389 2.001 0 50 DEAA CCc1c(NC(=O)[C@H]2C[C@@H]2C(=O)O)cnn1-c1cccc(C)c1 910657302 VLDMAGTUKFPHDC-STQMWFEESA-N 313.357 2.402 0 50 DEAA Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)s1 822519866 NGKOACQHBKRXGD-ZCFIWIBFSA-N 318.362 2.024 0 50 DEAA O=C(c1cc(C(F)F)ncn1)N1CC[C@@H](c2cccnc2)C1 823471117 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C[C@@](O)(CCNC(=O)NCC1CCOCC1)c1ccccc1 187045543 JBJCWOPLMLGPCH-QGZVFWFLSA-N 306.406 2.010 0 50 DEAA Cc1cc(S(=O)(=O)N2CCC[C@@](C)(O)C2)sc1Cl 188453116 KGVNPHRFHGJORR-LLVKDONJSA-N 309.840 2.245 0 50 DEAA C[C@H](Cc1ccccc1)C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 190028013 TYGCGKUPAUCTPC-XOKHGSTOSA-N 313.401 2.245 0 50 DEAA C[S@@](=O)c1nncn1CC(=O)c1csc2ccccc12 194537109 OKUNRKFITIBNKF-HXUWFJFHSA-N 305.384 2.113 0 50 DEAA Cn1cc(-c2ccoc2C(=O)NC2CCC3(CC2)C[C@@H]3N)cn1 1615546241 NESUNQCRSVDFFX-TVIZTDCDSA-N 314.389 2.070 0 50 DEAA Cn1cc(CN(CCCC(=O)O)Cc2ccccc2Cl)nn1 1616036048 LWBNJNLUPPFYBC-UHFFFAOYSA-N 322.796 2.336 0 50 DEAA COCc1noc(CN2CCC([C@H](O)c3cccs3)CC2)n1 1529180592 LMUGRBZEKBMQKE-HNNXBMFYSA-N 323.418 2.223 0 50 DEAA CCNC(=O)[C@@H]1CCN(CCOC)[C@H]1c1ccc(Cl)cc1 12404685 DQPBOCTZDDRXQA-CABCVRRESA-N 310.825 2.486 0 50 DEAA CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCC)C2 14740781 FQWYYYXKYUEIIL-AWEZNQCLSA-N 318.465 2.386 0 50 DEAA COc1ccc([C@@H]2Nc3ncnn3[C@H](c3ccccc3)[C@@H]2N)cc1 15830346 IWWSVINQONJVDG-IXDOHACOSA-N 321.384 2.370 0 50 DEAA Cc1nc(-c2cccnc2)sc1C(=O)NC[C@@H]1CCCO1 16626312 RZAROHAXOJVIDS-LBPRGKRZSA-N 303.387 2.422 0 50 DEAA COc1ccc2ccccc2c1CN1CCc2nncn2CC1 19741158 SROBRSUNKBQPJH-UHFFFAOYSA-N 308.385 2.498 0 50 DEAA CN(C)C[C@H]1[C@H]2CN(C(=O)C3CCCCC3)C[C@]23CC[C@H]1O3 1875246955 OGRSZYPKRCTLPF-BVIKNXMNSA-N 306.450 2.134 0 50 DEAA Cc1nn(C)c(C)c1C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 407982254 XIEFRASJUZBWRQ-CABCVRRESA-N 317.364 2.124 0 50 DEAA Cc1nc(NC(=O)[C@H](C)N2CCC3(CCNC3)CC2)sc1C 431014091 HQQXMYXOSBROJE-LBPRGKRZSA-N 322.478 2.162 0 50 DEAA CCc1ccc(CN2CCN(C(=O)c3cc(C)[nH]n3)CC2)s1 332082513 BAFXENQUKVXDAT-UHFFFAOYSA-N 318.446 2.300 0 50 DEAA O=C(O)[C@H]1CCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 238070730 SIWNVNZDRMRWDF-CYBMUJFWSA-N 318.304 2.099 0 50 DEAA O=C(N[C@H]1CC[C@H](CO)CC1)c1ccn(-c2ccc(F)cc2)n1 152164587 FTHMYTAWSSCNDD-XBXGTLAGSA-N 317.364 2.292 0 50 DEAA CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc(Cl)o1 584908902 CZWWSDHJWJGYQB-NSHDSACASA-N 322.748 2.232 0 50 DEAA Cc1cc(C(=O)N2CCC(n3cc(C(=O)O)cn3)CC2)c(C)o1 263231430 SCZMAKHTXIYONJ-UHFFFAOYSA-N 317.345 2.268 0 50 DEAA COc1ccc(-c2cn(Cc3nccnc3C)nn2)cc1OC 900569815 DAQLWCFKYLOLJK-UHFFFAOYSA-N 311.345 2.109 0 50 DEAA O=C(O)c1ccc(CN2CCOC[C@@H]2CC2CCOCC2)cc1 903713064 YIKDDVXYPLCLRM-KRWDZBQOSA-N 319.401 2.402 0 50 DEAA COc1nn(C)cc1NC(=O)N[C@@H](c1ccccn1)C1CC1 931052244 ZLEQBYLMLBYWHI-CYBMUJFWSA-N 301.350 2.097 0 50 DEAA CC(C)Cc1ncc(NC(=O)N(C)Cc2cccc(O)n2)cn1 931206203 SSQOMODHDPSPBW-UHFFFAOYSA-N 315.377 2.440 0 50 DEAA O[C@@H]1C[C@@H](c2nc(C3CC3)no2)C[C@@H]1CNc1ncccc1F 952849383 JNXNAPVXJJNQPT-DMDPSCGWSA-N 318.352 2.448 0 50 DEAA c1ccc2c(-c3noc(C4CN([C@H]5CCOC5)C4)n3)nccc2c1 952883646 VYRRKRQJTINPHZ-AWEZNQCLSA-N 322.368 2.473 0 50 DEAA O=C(NS(=O)(=O)Cc1ccccc1C(F)(F)F)C1CCC1 1875290958 JWVVLMSHFXFXQV-UHFFFAOYSA-N 321.320 2.452 0 50 DEAA Cc1ccc([C@@H](C)C(=O)NS(=O)(=O)[C@@H](C)c2ccccn2)o1 1875285686 WJCYNRIXLABYEU-NEPJUHHUSA-N 322.386 2.294 0 50 DEAA Cc1cn(C(C)(C)C(=O)N[C@H]2c3ccccc3CC[C@H]2O)cn1 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0 50 DEAA O=S(=O)(c1ccccc1)N1CCN(c2ccccc2F)CC1 304056 CBWTUKMYYGFXHV-UHFFFAOYSA-N 320.389 2.337 0 50 DEAA CC(CCC(=O)O)(c1ccc(O)c(N)c1)c1ccc(O)c(N)c1 1574348 BUDOGSSTKVVWDR-UHFFFAOYSA-N 316.357 2.433 0 50 DEAA CN(C)C(=O)[C@@H]1CC[C@H](CN[C@H]2CCSc3ccccc32)O1 245995681 FFKVEEQUKSSWAT-SNPRPXQTSA-N 320.458 2.449 0 50 DEAA CCCC(=O)Nc1ccccc1C(=O)NCCCn1ccnc1 10313240 GWXXSHGZPDLAMV-UHFFFAOYSA-N 314.389 2.442 0 50 DEAA Cc1nc(N2CCC[C@H]3C(=O)NC[C@H]32)c2c(C)csc2n1 225576066 XZPKGKSEOYXDIX-GHMZBOCLSA-N 302.403 2.023 0 50 DEAA O=C(Cc1cccc(O)c1)N1CCC[C@@H](CN2CCCC2)C1 20600811 OWRONWWEJNQPGM-INIZCTEOSA-N 302.418 2.269 0 50 DEAA CCn1cnnc1CCNCC(=O)Nc1ccc(Cl)c(C)c1 65370321 ASMIHQPJNZCEHK-UHFFFAOYSA-N 321.812 2.031 0 50 DEAA CC[C@H](CO)N(Cc1cccs1)C(=O)Cc1ccncc1 63832269 WRUMOSWZCNLXGC-CQSZACIVSA-N 304.415 2.485 0 50 DEAA Cc1nonc1[C@H]1CCCN1C(=O)c1cn2ccsc2n1 65434752 JQRMHZHXBAPANT-SNVBAGLBSA-N 303.347 2.065 0 50 DEAA Cn1cc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cn1 125047421 XQTJIDCXPOGKFW-QGZVFWFLSA-N 312.417 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309.347 2.407 0 50 DEAA O=C(NCCOC1CCCCCC1)c1ccn2nccc2n1 585129259 CXUXBBZYGMPGOX-UHFFFAOYSA-N 302.378 2.199 0 50 DEAA C[C@H](OC[C@@H]1CCCO1)C(=O)NCc1nsc2ccccc12 585126767 HYOIKERKVLJCBB-RYUDHWBXSA-N 320.414 2.497 0 50 DEAA O=C(NN1CCC(O)CC1)C1(c2cc(F)cc(F)c2)CCCC1 1615586307 MIGPZLHILCSKJF-UHFFFAOYSA-N 324.371 2.265 0 50 DEAA NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 112706 QIIPXDFJGGVUJA-UHFFFAOYSA-N 310.762 2.240 0 50 DEAA O=C(O)[C@@H]1COCCN(Cc2cc(C3CCCCC3)no2)C1 1775980846 CQKNPDBWEBZWEV-ZDUSSCGKSA-N 308.378 2.255 0 50 DEAA CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)c1 169682288 NQIVTCUMWSFSLH-LTCOOKNTSA-N 311.337 2.112 0 50 DEAA Cn1c(CCCNC(=O)[C@@H]2CCCCO2)nc2ccccc21 158537927 OJOHXZCWLLPASR-HNNXBMFYSA-N 301.390 2.191 0 50 DEAA CCc1ocnc1C(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857673549 ULBXHONKFHSBOR-UHFFFAOYSA-N 300.362 2.079 0 50 DEAA CCc1nc(-c2cccnc2N(C)C)n([C@@H]2CCCC[C@H]2O)n1 1857677371 YSYBKEVXSJNDEA-ZIAGYGMSSA-N 315.421 2.445 0 50 DEAA 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CCCc1cn(C[C@H]2CCCN(Cc3cnc(C)nc3)C2)nn1 20868552 CPIUFHFMBFEJIO-HNNXBMFYSA-N 314.437 2.241 0 50 DEAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1oc(CC)nc1C 77408263 QSJMVXYTVKGVLQ-GFCCVEGCSA-N 308.378 2.493 0 50 DEAA c1ccc2c(c1)C[C@H](n1ccnc1-c1cc3n(n1)CCNC3)CO2 72478629 PAHHMQKNPWYQHZ-HNNXBMFYSA-N 321.384 2.026 0 50 DEAA O=C(c1c[nH]c(=O)cn1)N1CCCC[C@H]1c1ccc(F)cc1 77287663 KXZGIUGOWMUITA-AWEZNQCLSA-N 301.321 2.276 0 50 DEAA Cn1ccnc1-c1cccc(NC(=O)N2CCC[C@@H](CO)C2)c1 150889155 KETGUDPSQGQQKX-CYBMUJFWSA-N 314.389 2.323 0 50 DEAA CC(C)c1nc([C@@H]2CN(c3ncnc4[nH]ccc34)CCO2)no1 364103479 OUQZLEJFZAYNCH-NSHDSACASA-N 314.349 2.042 0 50 DEAA Cc1noc([C@@H]2CC[C@H](CNC(=O)C3[C@H]4CCCC[C@H]34)O2)n1 332988823 YWDWYZGLPKHPNQ-VOAKCMCISA-N 305.378 2.151 0 50 DEAA O=C(NCC1(c2ccccn2)CCC1)N[C@@H]1C[C@H]2OCCC[C@H]12 367861390 AMFUQIGMVLFVSD-RBSFLKMASA-N 315.417 2.370 0 50 DEAA CC[C@H](C(=O)O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 239882357 DBKSMJFZRNGOEX-OFQRWUPVSA-N 312.454 2.061 0 50 DEAA 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CC[C@H]1CCCCN1CCNC(=O)c1cnc(C2CC2)nc1 294973597 QVYYNJHNJOJRGO-HNNXBMFYSA-N 302.422 2.348 0 50 DEAA CO[C@@H](CNC(=O)N1CCC[C@H](c2ccn[nH]2)C1)C(C)(C)C 181029936 YBMOUFAUCUFOLU-JSGCOSHPSA-N 308.426 2.360 0 50 DEAA O=C(N[C@@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1ccc(CO)cc1 244700950 JXAFAFCZDGVKHM-KSZLIROESA-N 311.381 2.421 0 50 DEAA O=C(CCCc1cn[nH]c1)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 244723949 MKTFCDDNUHBPGE-SOLBZPMBSA-N 313.401 2.361 0 50 DEAA CCOc1c(Cl)cccc1CC(=O)NCC1CCNCC1 296829391 BBPOIDOEVUTOKJ-UHFFFAOYSA-N 310.825 2.397 0 50 DEAA CN(C)S(=O)(=O)CCCN1CCC[C@H](c2ccccc2)C1 252481402 CKNGPXHYNUWQQY-INIZCTEOSA-N 310.463 2.148 0 50 DEAA O=C(COc1ccc(F)c(Cl)c1)NC1(C(=O)O)CCCC1 262246990 BKOFIJRJDBQSGV-UHFFFAOYSA-N 315.728 2.372 0 50 DEAA COc1c(C)cnc(CN2CCC(c3nc[nH]n3)CC2)c1C 363367261 QBEQYPITDQVSCP-UHFFFAOYSA-N 301.394 2.205 0 50 DEAA CCCN1CC[C@H](Cn2cnc3ccc(OC)cc3c2=O)C1 584903085 VGRCTLBMCOCPPA-ZDUSSCGKSA-N 301.390 2.137 0 50 DEAA CC(C)(O)[C@H]1CCCN(C(=O)c2cccc3c2CCC3=O)C1 584887801 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COc1ccc(C2=NO[C@H](CN[C@H](C)[C@@H](C)OC)C2)cc1F 895503881 DWNPCXRBSBGYDP-WZRBSPASSA-N 310.369 2.340 0 50 DEAA COC(=O)c1ccc(CNC(C)(C)CC(=O)OC(C)(C)C)[nH]1 1775985245 LEVOCSOZVKCFPF-UHFFFAOYSA-N 310.394 2.401 0 50 DEAA O=C(O)CN(Cc1ccccc1)C(=O)[C@H]1Cc2ccccc2O1 364829002 PPEBEKJRQFDFPK-MRXNPFEDSA-N 311.337 2.104 0 50 DEAA Cc1nc2ccccc2nc1CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 12372674 LDEZZCNUXWLFJH-BETUJISGSA-N 307.353 2.389 0 50 DEAA Cc1cc(C2CN(C(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)C2)no1 2325791303 MTAWZBOFMUUNGA-BDJLRTHQSA-N 314.341 2.137 0 50 DEAA CCc1ccccc1CN1CC[C@@H](n2cnc3c(N)ncnc32)C1 2325804022 PKOODLHRRZFNJJ-OAHLLOKOSA-N 322.416 2.418 0 50 DEAA CC1CCC(CNC(=O)c2sccc2Cc2nn[nH]n2)CC1 2325806999 SQOAACOHZIPAKM-UHFFFAOYSA-N 319.434 2.408 0 50 DEAA O=C(Nc1cccc2c(O)nccc12)N1CC[C@@](O)(C(F)F)C1 879793689 DBEXBRMUAKVMLU-HNNXBMFYSA-N 323.299 2.174 0 50 DEAA O=S(=O)(NCCc1cccs1)c1c[nH]c2ncccc12 128086205 NKSFOQWYNFBMPF-UHFFFAOYSA-N 307.400 2.145 0 50 DEAA NC(=O)c1ccccc1NC(=O)c1cncc(Br)c1 121121 UPWLDVNNMYSNJQ-UHFFFAOYSA-N 320.146 2.195 0 50 DEAA CN(C)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O 188649 CREUJWNYCPXPHD-UHFFFAOYSA-N 307.353 2.152 0 50 DEAA COc1cc(C(=O)[C@@H](CO)Oc2ccccc2OC)ccc1O 1627664 BUJCVBRLTBAYCW-MRXNPFEDSA-N 318.325 2.032 0 50 DEAA in-vitro O=C1NC[C@H]2CN(Cc3cc(F)ccc3C(F)(F)F)C[C@@H]12 2356142439 SAIDFSLGNUTXCB-GXSJLCMTSA-N 302.271 2.022 0 50 DEAA O=C(c1cc2ncc(Br)cn2n1)N1CCCCC1 4020652 UCFRNGOVUCOFOV-UHFFFAOYSA-N 309.167 2.118 0 50 DEAA C[C@@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 225417800 DHWCBLOWMRBQQI-QPSCCSFWSA-N 320.433 2.247 0 50 DEAA Cc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nnn1C 414405143 ISRBUHOVLBBXKC-UHFFFAOYSA-N 308.407 2.222 0 50 DEAA O=C(Nc1nccs1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O 113258624 MIKYGOGOFRJRTQ-SECBINFHSA-N 323.324 2.413 0 50 DEAA O[C@H](COc1ccccc1)CN1CCCC[C@@H]1c1cn[nH]c1 114482802 JQIFEVWQKCCWBS-DOTOQJQBSA-N 301.390 2.377 0 50 DEAA O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@H]1C(F)(F)F 65393549 FTCMJIBQGHRLAT-LBPRGKRZSA-N 310.279 2.434 0 50 DEAA Cc1nc([C@H](C)NC(=O)CC2=CSC3=NCCN23)cs1 170586417 HTANEFIIANRCKD-QMMMGPOBSA-N 308.432 2.279 0 50 DEAA CCC(CC)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 67621082 BGMBZGRBSITJCR-UHFFFAOYSA-N 312.435 2.309 0 50 DEAA C[C@H](NCc1nc(COc2ccccc2)n[nH]1)[C@H]1CCCO1 349346675 YKMRAKMEQKXDNO-GXTWGEPZSA-N 302.378 2.041 0 50 DEAA COc1ccnc(C(=O)NCCCNc2ccc(C)cn2)c1 172364372 LEKRHXMANZLFJF-UHFFFAOYSA-N 300.362 2.026 0 50 DEAA COC[C@@H]1CCCCN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 346950270 VQJNYSPIWLOYCM-OIISXLGYSA-N 318.417 2.434 0 50 DEAA O[C@@H](CN1CCC(c2ccc(F)c(F)c2)CC1)Cn1cccn1 253416671 MQDOOQYQWNVUFZ-HNNXBMFYSA-N 321.371 2.402 0 50 DEAA Cc1cnn([C@H](C)[C@H](C)NC[C@@H](O)c2ccc3c(c2)OCO3)c1 229569290 UGYONDWQNZLQJA-GZBFAFLISA-N 317.389 2.193 0 50 DEAA CC(C)NC(=O)NC[C@H]1CCN(C2CC(C)(C)NC(C)(C)C2)C1 67713555 NBTVUHAZQMQCHD-CQSZACIVSA-N 324.513 2.325 0 50 DEAA O=C(NCCc1cccs1)c1ccc2c(c1)CCNCC2 252484837 GJHBLLBAOIIHPZ-UHFFFAOYSA-N 300.427 2.409 0 50 DEAA CC(=O)c1ccc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)cc1 216039414 ZMLGFWZWWYMKEL-INIZCTEOSA-N 317.385 2.347 0 50 DEAA CNC(=O)[C@@H]1CCCCN1Cc1nn(C)c2cccc(Cl)c12 216269236 FCTMEIMCQMSGJP-AWEZNQCLSA-N 320.824 2.327 0 50 DEAA Cn1nccc1CCC(=O)NCc1cn[nH]c1-c1cccs1 215617349 GHWUHBZPPVEEJG-UHFFFAOYSA-N 315.402 2.121 0 50 DEAA CCOc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3C)ccc1O 72115808 AJTYHNFHJDRKOZ-NSHDSACASA-N 301.346 2.307 0 50 DEAA CN(Cc1nc(-c2cccnc2)no1)[C@@H]1Cc2ccccc2[C@H]1O 242389428 ZXENLRPBABTEOU-NVXWUHKLSA-N 322.368 2.222 0 50 DEAA C[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)[C@@H]1CN 156795129 KVVXEVKFEIJFET-PPDNHJNESA-N 300.402 2.221 0 50 DEAA CC(C)n1ccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)n1 372013629 OYMCYYMRAGBLMT-CQSZACIVSA-N 300.362 2.153 0 50 DEAA Cc1cc(C)cc(N2CCN(C(=O)Cc3cccnc3)CC2=O)c1 77355503 QIJDDBLYZUUUAK-UHFFFAOYSA-N 323.396 2.116 0 50 DEAA O=C(O)CC[C@@H]1CCCCN1C(=O)COc1ccccc1F 237927058 MTGPIQABZHOMSE-LBPRGKRZSA-N 309.337 2.450 0 50 DEAA Cc1cc(NC(=O)[C@H]2C[C@H]2C(=O)O)ccc1OC1CCOCC1 262468973 ZMZOQBHOXGQKBR-UONOGXRCSA-N 319.357 2.212 0 50 DEAA C[C@@H](C(=O)O)N(C)C(=O)c1csc(Cc2ccc(F)cc2)n1 262875278 KDILNQWDPWZWML-VIFPVBQESA-N 322.361 2.418 0 50 DEAA Cc1ccc(C)c(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)c1 262922627 KNVRPXIIFAHQAD-OAHLLOKOSA-N 305.374 2.161 0 50 DEAA Cc1cc([C@@H](NC(=O)c2c(C)nn(C)c2C)C(=O)O)ccc1F 263086505 QDTUESXCEFUQLG-CQSZACIVSA-N 319.336 2.040 0 50 DEAA Cc1ccc2[nH]c(SCC(=O)N[C@@H]3CCSC3=O)nc2c1 173320025 AXIYEFZDMLBJJZ-SNVBAGLBSA-N 321.427 2.112 0 50 DEAA COC[C@H]1CN(C(=O)COc2ccc(C)c(C)c2)CC(C)(C)O1 284954000 FDSWZJRTRLLUOJ-MRXNPFEDSA-N 321.417 2.335 0 50 DEAA CC[C@@H](NC(=O)c1cc(-c2ccsc2)n[nH]1)C1CC(O)C1 220713689 UXEXQIRHWHYAQB-HTAVTVPLSA-N 305.403 2.418 0 50 DEAA Cc1ccc2c(n1)sc1c(=O)n(CC3(CO)CCC3)cnc12 43082552 DMOICQMUCXYODZ-UHFFFAOYSA-N 315.398 2.477 0 50 DEAA Cc1ccc2[nH]c(C(=O)NCCN3CCCOC3=O)cc2c1 426478650 CQUILOJCRLJIHX-UHFFFAOYSA-N 301.346 2.048 0 50 DEAA Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4n[nH]nc4C)C3)nc2c1 194394446 QSLCQOJEJHOFEZ-LBPRGKRZSA-N 324.388 2.318 0 50 DEAA Cc1ccn(-c2ccccc2CN2C(=O)CN(C3CC3)C2=O)n1 225558937 OTDFGUWVGDLWRD-UHFFFAOYSA-N 310.357 2.107 0 50 DEAA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccncc1Cl)C2 221287494 SJPLPQGXBZIXQL-CQSZACIVSA-N 320.780 2.031 0 50 DEAA Cc1nnnn1CCC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 426602520 OKHRGNYFWMHNFS-HNNXBMFYSA-N 313.405 2.024 0 50 DEAA O=C1NCCC[C@]12CCN(Cc1nc3c(s1)CCCC3)C2 91636432 QLGBBGCQIWPPNI-MRXNPFEDSA-N 305.447 2.124 0 50 DEAA CCN(Cc1ccncc1)C(=O)c1cccc(-n2cnnc2)c1 91848336 VXWIEWDMOUVHLN-UHFFFAOYSA-N 307.357 2.325 0 50 DEAA CN(CCc1ccccn1)C(=O)[C@@H]1Cc2ccccc2CN1C 95372826 QXZJDJDWNFTJLQ-SFHVURJKSA-N 309.413 2.139 0 50 DEAA CCN(C(=O)c1cc(=O)[nH]c2ccccc12)C1CCOCC1 91624918 RDSVXOSBACVBJS-UHFFFAOYSA-N 300.358 2.169 0 50 DEAA Cc1nc(CCN(C)C(=O)c2ccc([C@H]3CCCN3)s2)no1 23251073 MWZHGWAHQIJBGV-LLVKDONJSA-N 320.418 2.179 0 50 DEAA Cc1cc(S(=O)(=O)N2CC[C@H](O)CC(C)(C)C2)c(C)o1 295387553 RDLOKRAZUJWQIZ-LBPRGKRZSA-N 301.408 2.068 0 50 DEAA O=C(CCc1cncnc1)NCc1cccc(C(F)(F)F)n1 622632630 CVLNEZDSJSXCQR-UHFFFAOYSA-N 310.279 2.139 0 50 DEAA O=C(c1ccccc1-n1ccnn1)N1CCC[C@@H](c2ccn[nH]2)C1 182395080 CJKFRMXEIRMCRV-CYBMUJFWSA-N 322.372 2.010 0 50 DEAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCOCC(F)(F)F 299742487 JOAAREWBNGOVSY-VWYCJHECSA-N 323.311 2.200 0 50 DEAA O=C(NC[C@@H]1CCOC1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299746793 ZUCHEQSOMQMFHZ-NOLJZWGESA-N 322.380 2.239 0 50 DEAA CC[C@@H](NS(=O)(=O)c1ccnn1CC)c1cc(C)ccn1 534576126 ZLZNAABRZUQTNL-GFCCVEGCSA-N 308.407 2.036 0 50 DEAA CCCn1cnnc1[C@H](C)NC(=O)Cc1ccccc1OC 299780263 RODDFDASBUEEER-LBPRGKRZSA-N 302.378 2.117 0 50 DEAA Cc1nc(NCCc2cccc(O)n2)cc([C@H]2CCOC2)n1 299770424 VOGPHRYAZFGPGQ-LBPRGKRZSA-N 300.362 2.044 0 50 DEAA CN(C)CC(=O)Nc1ccccc1NC(=O)[C@@H]1CC=CCC1 823678462 MHTQSJDYTCYQDY-CYBMUJFWSA-N 301.390 2.482 0 50 DEAA CCCc1cnc(N2CCN(c3ncnc(C)c3C)CC2)nc1 670459033 QZQZOQYKRHBKBL-UHFFFAOYSA-N 312.421 2.163 0 50 DEAA c1cncc([C@H](NCc2nnc3n2CCCCC3)c2ncc[nH]2)c1 1339657642 HJGVWBDYYWLGKL-INIZCTEOSA-N 323.404 2.002 0 50 DEAA CCOC(=O)[C@@H]1CC[C@H](C(=O)OCC)N1Cc1ccccc1 58255692 LDUSEIANLSWKPY-GASCZTMLSA-N 305.374 2.146 0 50 DEAA in-vitro Cc1nnsc1CN1CCN(c2ccc(Cl)cn2)CC1 244795391 RFMKPTAMEXOLDS-UHFFFAOYSA-N 309.826 2.217 0 50 DEAA CN1CCO[C@H](CN(Cc2ccc3cn[nH]c3c2)CC2CC2)C1 275789512 SGBNXWIDGNTILW-KRWDZBQOSA-N 314.433 2.106 0 50 DEAA Cn1c(-c2ccccc2)cnc1S(=O)(=O)Cc1ccccn1 170610950 YLJFAEALHKLKSQ-UHFFFAOYSA-N 313.382 2.456 0 50 DEAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccccc1-c1cn[nH]c1 635565087 MSIQSOFIRUYPBG-UKRRQHHQSA-N 310.401 2.385 0 50 DEAA O=C(NC1Cc2ccccc2C1)N1CCC[C@H](CCO)CC1 643382589 DWLZFJJVKYACHL-AWEZNQCLSA-N 302.418 2.348 0 50 DEAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cc3ccccc3o2)C1 643754616 AZWOVOBNYNJYIX-SFHVURJKSA-N 316.401 2.238 0 50 DEAA CC(C)c1ncc2c(n1)CN(C(=O)NC1C[C@H]3C[C@@H]3C1)CC2 645048741 WNHCZTZFMXWCPF-CHWSQXEVSA-N 300.406 2.466 0 50 DEAA CCO[C@@H]1C[C@](O)(CNc2ccc(C(F)(F)F)nn2)C1(C)C 191744740 FHODKNZMMKAQAL-MFKMUULPSA-N 319.327 2.473 0 50 DEAA CC(C)(C)C(=O)Cn1nnc(-c2cncc(Br)c2)n1 585118608 VREJYPFAABGTEW-UHFFFAOYSA-N 324.182 2.113 0 50 DEAA CC(C)(O)[C@H]1CCN(C(=O)c2ccnc(-c3ccccc3)n2)C1 1615549283 QYYIEVULVNADAZ-AWEZNQCLSA-N 311.385 2.377 0 50 DEAA C[C@H]1CN(Cc2nc3ccccc3s2)C[C@]2(CCNC2)O1 1616040724 VEIZRTSLXAFELL-BLLLJJGKSA-N 303.431 2.249 0 50 DEAA O=C(O)c1cnc(N[C@@H]2CCCN(Cc3cccs3)C2)cn1 1506417354 QLRRLVFZBNPXKK-LLVKDONJSA-N 318.402 2.313 0 50 DEAA COC(=O)/N=c1\[nH]c2ccc(C(=O)c3cccs3)cc2[nH]1 56509 KYRVNWMVYQXFEU-UHFFFAOYSA-N 301.327 2.456 0 50 DEAA biogenic,in-man CN(C)C(=O)c1ccc(N(C)CC[C@H](O)c2ccccc2)nc1 1529112894 VCJAKXQDCYAWOX-INIZCTEOSA-N 313.401 2.343 0 50 DEAA COC(=O)[C@H](COC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 238799565 IKRGHSKDRWVONY-VIFPVBQESA-N 319.354 2.004 0 50 DEAA COc1cc(S(=O)(=O)n2nnc3ccccc32)ccc1Cl 4103762 SIGYULDMTQONHC-UHFFFAOYSA-N 323.761 2.330 0 50 DEAA CC1=CC2(CCN(c3nnnn3-c3ccccc3)CC2)OCC1 1772700435 AUKTVXJHQPYTGF-UHFFFAOYSA-N 311.389 2.368 0 50 DEAA O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 3323437 SZAMKHNIEQAEHD-UHFFFAOYSA-N 313.309 2.117 0 50 DEAA COc1ccc(OC)c(NC(=O)C(=S)N2CCCCC2)c1 4832755 HLHRHUXEPHPCGM-UHFFFAOYSA-N 308.403 2.456 0 50 DEAA Cc1nc(C)c(CC(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)c(O)n1 1857679904 ZZARDXGHKLYNDI-MJBXVCDLSA-N 303.406 2.284 0 50 DEAA CCC(=O)Nc1nnn(CCc2ccc(OC)cc2)c1CC 408515180 QNAJOVVXGOTVTA-UHFFFAOYSA-N 302.378 2.440 0 50 DEAA CC(C)[C@H]1CN(S(=O)(=O)c2ccn(C)n2)c2ccccc21 331482419 ABBGOPZAIMSFKU-CYBMUJFWSA-N 305.403 2.369 0 50 DEAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc3[nH]ccc3c2)C1 644119553 VENYYDPYEGBADE-HIFRSBDPSA-N 310.357 2.493 0 50 DEAA Cc1cc(C(=O)NC2(CC(=O)O)CCOCC2)c(F)cc1F 683311987 UATUUZFXTWIDAK-UHFFFAOYSA-N 313.300 2.027 0 50 DEAA COc1cc(C)ccc1OCCC(=O)N1CCCC[C@@H]1C(=O)O 583650488 FVEHWYYEMFHFKJ-CYBMUJFWSA-N 321.373 2.238 0 50 DEAA CN1[C@H]2CCC[C@H]1CC(NC(=O)NC[C@H](O)c1ccccc1)C2 266519103 HOFCXTUWFLTPPW-ULQDDVLXSA-N 317.433 2.035 0 50 DEAA CC(C)c1ocnc1C(=O)N1CC(=O)NC[C@H]1c1ccccc1 906463080 LYXASIVWFDXCKF-ZDUSSCGKSA-N 313.357 2.111 0 50 DEAA C[C@@H](NC(=O)c1ncc(C(F)(F)F)cc1Cl)c1nc[nH]n1 933854940 DUBOTJSVEUJPPN-RXMQYKEDSA-N 319.674 2.363 0 50 DEAA Cc1ccc(CCC(=O)N[C@H]2CCO[C@H]2c2nc[nH]n2)c(C)c1 952889230 ZRWBACNYRYQHEK-GOEBONIOSA-N 314.389 2.001 0 50 DEAA C[C@@H]1CC[C@H](C(=O)O)N1C(=O)[C@@H]1CCCc2c(O)cccc21 1875313030 GJHHHXPEWBJJNB-LERXQTSPSA-N 303.358 2.276 0 50 DEAA CO[C@H]1C[C@H](NC(=O)N[C@@H](C)c2cc(F)ccc2N(C)C)C1 1775993206 CSEIEJFWDLCNGJ-DRZSPHRISA-N 309.385 2.429 0 50 DEAA CCc1ccc(S(=O)(=O)N2CC[C@H](O)CC(C)(C)C2)s1 295412552 UILFBEAZBDPUHC-NSHDSACASA-N 317.476 2.482 0 50 DEAA COc1ccc2oc(=O)c(C(=O)NCc3cccnc3)cc2c1 105686 BQQOIHBDAZKFTO-UHFFFAOYSA-N 310.309 2.127 0 50 DEAA COc1cc2c(N[C@H](C)c3cnnn3C)ncnc2cc1F 2325755943 SMWSTADHQBIYJU-MRVPVSSYSA-N 302.313 2.079 0 50 DEAA CC1(C)COCC[C@]1(N)C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 2325786511 SHHDPCLDQHYZNT-OSLDLMBLSA-N 308.466 2.461 0 50 DEAA NCc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cnc2[nH]cncc1-2 2325801476 KHZCXXLAIQANRM-INIZCTEOSA-N 321.384 2.176 0 50 DEAA O=C(N[C@@H]1CCCC[C@@H]1c1nn[nH]n1)c1ccc2ccncc2c1 2325807822 VGNBDDMSOPZDSI-LSDHHAIUSA-N 322.372 2.204 0 50 DEAA Oc1cccc(OCc2cn(Cc3ccc(F)cn3)nn2)c1 2325863524 MOXWPHSIPXXENS-UHFFFAOYSA-N 300.293 2.145 0 50 DEAA CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1 85837 RDUBZGPRIPFOHV-ZDUSSCGKSA-N 306.387 2.051 0 50 DEAA CCCN1CCC[C@@]2(CCCN2C(=O)c2ncoc2CC)C1=O 2356166537 BUMPIPGTMRWZNB-QGZVFWFLSA-N 319.405 2.244 0 50 DEAA OC1(Cc2ccccc2)CCN(Cc2ccn3ncnc3c2)CC1 2356170284 VRWUKDMZVALNAU-UHFFFAOYSA-N 322.412 2.299 0 50 DEAA O=C(NCCC(=O)N1CCc2ccccc2C1)c1ccccc1 10463313 ORQKOOZZCUBOEI-UHFFFAOYSA-N 308.381 2.391 0 50 DEAA COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2O)cc(OC)c1OC 10543114 LRSUDUIMROVMCH-OLZOCXBDSA-N 323.389 2.088 0 50 DEAA CN1CCN(C[C@@H](NC[C@H]2CCSC2)c2ccccc2)CC1 225610002 HSUPOHPTAUHCSZ-SJLPKXTDSA-N 319.518 2.318 0 50 DEAA O=C(CSC1=Nc2ccccc2C1)N[C@@H]1CCSC1=O 134246213 DDRFJQJNCKWONH-LLVKDONJSA-N 306.412 2.154 0 50 DEAA CN1CCN(C(=O)c2cnn3ccccc23)[C@H](c2ccccc2)C1 346547265 VVGKDMCWZXZQIQ-SFHVURJKSA-N 320.396 2.463 0 50 DEAA COc1cc2c(cc1OC)CCN(CC(=O)NC(C)(C)C)CC2 138731826 YVTJASPVQRLNSA-UHFFFAOYSA-N 320.433 2.019 0 50 DEAA CC(C)NC(=O)NC[C@@H]1CCN(CC(C)(C)N2CCCCC2)C1 67679101 WMNZVTVYNNSOQR-INIZCTEOSA-N 324.513 2.280 0 50 DEAA O=C(N[C@@H]1CCC[C@@H]1C(=O)O)c1coc(-c2ccccc2)n1 141358508 ACTLJEZHXAUXIN-NWDGAFQWSA-N 300.314 2.325 0 50 DEAA CC(C)(C)C(=O)NC[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 353127038 MGWPLGMREGCMMY-GFCCVEGCSA-N 315.421 2.337 0 50 DEAA CS[C@@H]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C(=O)C2CC2)C1 252477372 MQVHKLLQVNJCSS-MGPQQGTHSA-N 310.463 2.130 0 50 DEAA COC(=O)c1cccn(CC(=O)c2ccc(Cl)cc2)c1=O 1400082 QXTORGBMGZNPBT-UHFFFAOYSA-N 305.717 2.171 0 50 DEAA CC(=O)c1cc2c(cc1NC(=O)c1c(C)nn(C)c1C)OCO2 2754183 FKSWCGARWVEKFF-UHFFFAOYSA-N 315.329 2.221 0 50 DEAA CN(CCCN1CCCC1)C(=O)c1cccc2c1OCC(O)=N2 328591523 UBVNXXZKGIYOOI-UHFFFAOYSA-N 317.389 2.225 0 50 DEAA CCc1nsc(N2CCN(C(C)=O)C3(CCCCC3)C2)n1 328586861 HCWQUPNODAFSIE-UHFFFAOYSA-N 308.451 2.472 0 50 DEAA C=CC(=O)N(C)CC(=O)N1c2ccccc2N=C(O)C[C@H]1C 328597480 HUCGHMZFDIUCQU-LLVKDONJSA-N 301.346 2.044 0 50 DEAA CCn1cnnc1[C@@H]1CN(Cc2cnc(C3CC3)s2)CCO1 328642949 RFUGKTRJHSLUCZ-ZDUSSCGKSA-N 319.434 2.205 0 50 DEAA Cc1c([C@H](C)NC(=O)Cc2cccnc2)cnn1-c1ccccn1 12437641 GDALLIKDURWULU-ZDUSSCGKSA-N 321.384 2.391 0 50 DEAA Cn1c(CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)nnc1C1CC1 282035948 ZNSBDDUEIOHYGL-GJZGRUSLSA-N 316.380 2.140 0 50 DEAA CC[C@H](N[C@H]1CS[C@H](C(C)(C)C)C1)C(=O)N1CCOCC1 488411748 KQWCDCVJIQJWRM-RDBSUJKOSA-N 314.495 2.134 0 50 DEAA COC(=O)[C@@H](N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C1CC1 602920024 QEGKQUOFGGFDGY-ILXRZTDVSA-N 311.328 2.336 0 50 DEAA CCn1nc(CO)c2c1CCN(Cc1ccc(OC)cc1F)C2 215649140 NOHJYNMJYVXURM-UHFFFAOYSA-N 319.380 2.101 0 50 DEAA Cn1nncc1CN(Cc1ccsc1)[C@@H]1CC12CCNCC2 261751625 LEHFBFBWCUTZBS-OAHLLOKOSA-N 317.462 2.021 0 50 DEAA CCn1cc(C2CCN(C(=O)[C@@H]3CCC[C@H](N)C3)CC2)cn1 237017113 MYKJWHPZTDLSSQ-ZBFHGGJFSA-N 304.438 2.127 0 50 DEAA O=C(NCCSC(F)(F)F)c1cccc(-n2cnnc2)c1 216109980 PNMKPGPVIXFBMN-UHFFFAOYSA-N 316.308 2.250 0 50 DEAA O[C@H]1C[C@H](c2ccc(F)cc2)N(Cc2cn3cccnc3n2)C1 339774432 ACKVLGWVOZOEQF-JKSUJKDBSA-N 312.348 2.176 0 50 DEAA Cc1c(C(=O)N2CC[C@@H](N)C2)cnn1-c1cccc(Cl)c1 237763905 WSJOLKUTTPXSCX-GFCCVEGCSA-N 304.781 2.007 0 50 DEAA CC1=NNC(=O)[C@@H]1CCNC(=O)c1cscc1C(F)(F)F 606444488 ZDZUUZBBMLONJS-SSDOTTSWSA-N 319.308 2.009 0 50 DEAA Cc1ncsc1CCN(C)C(=O)c1cnn2c1CCCC2 72407566 IZYRLNWYSXFBCV-UHFFFAOYSA-N 304.419 2.299 0 50 DEAA O=C(O)[C@H]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 238085517 AIGKGDUEUCDGOM-ZDUSSCGKSA-N 314.341 2.207 0 50 DEAA COc1ccc(OC)c([C@@H]2CCN(C(=O)C3CCOCC3)C2)c1 77407046 AZLBBDXAIUBPTI-CQSZACIVSA-N 319.401 2.446 0 50 DEAA CSCCC(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 219138669 ZSZSXZZHWAMGTQ-KVULBXGLSA-N 321.442 2.303 0 50 DEAA Cc1nc(CN2CCN(C)[C@H](c3nc(C4CC4)no3)C2)oc1C 284585213 HGGNWMYKOKPKKP-ZDUSSCGKSA-N 317.393 2.041 0 50 DEAA CNC(=O)c1cccc(NC(=O)Cc2c(C)noc2Cl)c1C 341167301 SWBUXENSLSVUSV-UHFFFAOYSA-N 321.764 2.486 0 50 DEAA O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1CCCCC1 18056682 CXLQUXXKAQBKFF-ZIAGYGMSSA-N 306.406 2.001 0 50 DEAA NC[C@@H]1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1 82099572 UWXGJWZOLJXPAQ-AWEZNQCLSA-N 320.396 2.422 0 50 DEAA CCCN1C[C@H](n2cc(-c3nc4ccccc4[nH]3)nn2)CC1=O 82099287 RABYGCDTESPAMX-LLVKDONJSA-N 310.361 2.005 0 50 DEAA C[C@H](O)c1nc(C2CCOCC2)nn1CCc1ccccc1 97696174 FXAWROAWCVVXON-ZDUSSCGKSA-N 301.390 2.468 0 50 DEAA O=C(Cn1nccc1[C@@H]1CCCNC1)N1CCCCCCC1 426387082 KSQRTSGLTOOQKR-OAHLLOKOSA-N 304.438 2.143 0 50 DEAA Cn1cccc1CCC(=O)N1CCCN(C2CCCC2)CC1 426435424 PERHLIKFAUINHC-UHFFFAOYSA-N 303.450 2.435 0 50 DEAA Cc1cc(CC(=O)N(C)Cc2cc(-c3cccnc3)no2)on1 91724865 XRJRHBMJIPJZBA-UHFFFAOYSA-N 312.329 2.234 0 50 DEAA NC(=O)c1cncc(-c2ccccc2CN2CCC(=O)CC2)c1 95530506 QUUZUTIRPCJAGF-UHFFFAOYSA-N 309.369 2.012 0 50 DEAA Cc1nc(C)n(CCCNC(=O)c2ccc(-c3cc[nH]n3)cc2)n1 91950910 BYMXZMDEKGTSGY-UHFFFAOYSA-N 324.388 2.105 0 50 DEAA COc1ccc2c(c1)cc(C(=O)NCCNc1cccnc1)n2C 91444904 CWHUUSJJQUWCFN-UHFFFAOYSA-N 324.384 2.424 0 50 DEAA Cc1cccc([C@H](C(=O)N(C)CCCn2cccn2)N(C)C)c1 91365291 ZLDYJIPEOCQBJH-QGZVFWFLSA-N 314.433 2.343 0 50 DEAA COc1cc2c(cc1CN1CC[C@H]3CC[C@@H](C1)N3)OCCCO2 97532434 REQKBYUXOASQFI-CABCVRRESA-N 318.417 2.183 0 50 DEAA COc1ccc2c(c1)CCN2C(=O)[C@@H]1CCC[C@H](C(=O)O)C1 180119396 AZLHZNMSFNCLEA-OLZOCXBDSA-N 303.358 2.475 0 50 DEAA COCc1cc(CN2CCC(Oc3ncccc3F)CC2)no1 298176791 UZAVBSWFWCGQEZ-UHFFFAOYSA-N 321.352 2.399 0 50 DEAA O=C(NCCc1c[nH]cn1)[C@@H](Cc1ccccc1)n1cccc1 253396208 AWQVCURJFILALU-QGZVFWFLSA-N 308.385 2.354 0 50 DEAA biogenic Cc1nnc(CN2CCC([C@H](O)c3ccccn3)CC2)s1 299775404 CBVQRIQHHOHOFM-HNNXBMFYSA-N 304.419 2.187 0 50 DEAA COc1cccc(CCC(=O)NC2(C(N)=O)CCCCCC2)c1 299798403 RRHLWQIFZQYAKJ-UHFFFAOYSA-N 318.417 2.322 0 50 DEAA Cc1ccccc1N1CC[C@H](CNC(=O)Cn2ccnc2C)C1 299755611 BUEBVIOQSJUUCK-MRXNPFEDSA-N 312.417 2.143 0 50 DEAA CC[C@H](C)S(=O)(=O)NCCCc1nc2ccc(F)cc2[nH]1 822646490 ZATPIXNUGALWLR-JTQLQIEISA-N 313.398 2.353 0 50 DEAA CN(Cc1cnc2ccccc2n1)C(=O)CN1C[C@@H]2CC[C@H]1C2 584892380 OBLCZIWTPMLFMF-HIFRSBDPSA-N 310.401 2.073 0 50 DEAA Cc1nonc1CNC(=O)c1ccc(N2CCCCC2)cc1 584895375 OBCPBJLDOOYMBK-UHFFFAOYSA-N 300.362 2.298 0 50 DEAA Cc1ccccc1N1CCCN(C(=O)NCC[C@H](C)CO)CC1 670471200 KHVMNFFECZUBMQ-HNNXBMFYSA-N 319.449 2.235 0 50 DEAA c1nc(CN(CCN2C[C@@H]3CC[C@H]2C3)Cc2cocn2)co1 1565509979 WSHAOFLFHWDIBF-CJNGLKHVSA-N 302.378 2.149 0 50 DEAA CCNC(=O)c1cc(NC(=O)[C@H]2CC(C)=NO2)ccc1Cl 952986770 AZIZODHSMSKGMV-GFCCVEGCSA-N 309.753 2.193 0 50 DEAA Cc1nnc(NCCN2CCC[C@H](CO)C2)c2ccccc12 952976933 RAFRDFMMRVBCLC-AWEZNQCLSA-N 300.406 2.054 0 50 DEAA CN1CCN(C[C@@H]2[C@H]3CCC[C@H]2N(C(=O)OC(C)(C)C)C3)CC1 952993625 ITMLHCVKSAAADK-ARFHVFGLSA-N 323.481 2.269 0 50 DEAA CCn1ccnc1C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C 279323296 BYNJFMWRPZCBBD-NSHDSACASA-N 303.366 2.291 0 50 DEAA C[C@H](NCc1cn(C[C@@H]2CCOC2)nn1)c1cc(F)ccc1F 631038434 WVUVIVRRGCHREB-RYUDHWBXSA-N 322.359 2.444 0 50 DEAA CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CCCNC(=O)C2CC2)n1 190386931 PGDPUJUIXKPDSV-JSGCOSHPSA-N 321.421 2.447 0 50 DEAA CCCC[C@@H](CC)CC(=O)N1CC[C@H](n2cc(CO)nn2)C1 652979338 SUUVFAFLFQNCEO-HIFRSBDPSA-N 308.426 2.150 0 50 DEAA CSc1ccc(CN2CCN(C)[C@@H](c3nc(C)no3)C2)o1 583651063 GSMFDYFTAXEHKB-GFCCVEGCSA-N 308.407 2.182 0 50 DEAA N[C@@H]1C[C@H](NC(=O)Cc2cnccc2C(F)(F)F)C12CCC2 1615553122 GMSKFEPQYXRDBC-NEPJUHHUSA-N 313.323 2.029 0 50 DEAA Cc1ccc(C(C)(C)NC(=O)C[C@H]2C[C@H](C)NC(=S)N2)cc1 212074340 JTBRASJUELSPKR-GXTWGEPZSA-N 319.474 2.361 0 50 DEAA Cc1nc(CN(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)sc1C 1704339005 BKDSTDDPNPRVHE-HZSPNIEDSA-N 307.463 2.449 0 50 DEAA N[C@H]1CCCN(C(=O)CCc2ccccc2Br)C1 158410843 JNHINEORDZZQCY-LBPRGKRZSA-N 311.223 2.331 0 50 DEAA COc1cc2c(cc1CN1C[C@H]3CCN(C)C(=O)[C@H]3C1)CCC2 1772808934 GIHNYGFWDLOAMC-WBVHZDCISA-N 314.429 2.094 0 50 DEAA Cc1cc2c(cc1Cl)OCc1nnc([C@@H]3CC(=O)N(C)C3)n1-2 1772817445 PPMFRDVCRLRWJE-SECBINFHSA-N 318.764 2.067 0 50 DEAA Cc1ccc2[nH]c(CN3CCC([C@@H](O)CO)CC3)c(C)c2c1 1772707191 RONRXONBPAFORV-SFHVURJKSA-N 302.418 2.350 0 50 DEAA OCCN(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1 12441596 PZFWETXXVOQRLV-SFHVURJKSA-N 310.482 2.114 0 50 DEAA CN1C(=O)COc2ccc(NC(=O)c3ccccc3F)cc21 12125901 GPABWVOVENIFKH-UHFFFAOYSA-N 300.289 2.433 0 50 DEAA COC(=O)c1ccc(OC[C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)cc1 12377863 ZXBYFFLADVVWFF-IJEWVQPXSA-N 321.417 2.191 0 50 DEAA Cn1cc(CN2CCC[C@H](CCC(=O)N3CCCC3)C2)cn1 12753337 ODNPATHVSBDZTG-OAHLLOKOSA-N 304.438 2.035 0 50 DEAA Cc1c(NS(C)(=O)=O)cccc1C(=O)N1CCC[C@@H](C)C1 13649595 WCKDTZVFYGYBLB-LLVKDONJSA-N 310.419 2.239 0 50 DEAA O=C1C[C@H](NCCc2ccccc2)C(=O)N1CCc1ccccc1 19721128 WNIARGDFPKEWGV-SFHVURJKSA-N 322.408 2.189 0 50 DEAA CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(F)c1 4742510 HYKQVJHDLHQZFY-UHFFFAOYSA-N 308.334 2.450 0 50 DEAA COc1ccc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 4839995 BIZMZCBLDJJAHA-MRXNPFEDSA-N 311.337 2.093 0 50 DEAA C[C@H]1CN(c2ncnc3[nH]ccc23)CCN1c1ccc(F)cn1 1857679580 NLKOUHQHAAYPQG-NSHDSACASA-N 312.352 2.207 0 50 DEAA Cc1cccc(F)c1C(=O)N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857721888 KMSARFCXTASIJN-OFQRWUPVSA-N 318.392 2.116 0 50 DEAA O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CCCC[C@@H]1C(F)(F)F 112650978 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322.817 2.461 0 50 DEAA Cc1noc2ncnc(Nc3ccc(CC(=O)N(C)C)cc3)c12 195509359 UJEWXPXDJNFNPV-UHFFFAOYSA-N 311.345 2.301 0 50 DEAA O=C(c1ccccc1)N1CCC(Nc2ncnc3[nH]cnc23)CC1 663360004 RKMQYGOMAHBLSG-UHFFFAOYSA-N 322.372 2.070 0 50 DEAA Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCC(=O)N[C@H]1c1ccccc1 582473911 LNCLFZPMTXVBCL-FCEWJHQRSA-N 324.428 2.407 0 50 DEAA Cc1cnn(CC(=O)Nc2ccc(N=S(C)(C)=O)cc2)c1 585090949 DGFZBXDVIBMDJU-UHFFFAOYSA-N 306.391 2.189 0 50 DEAA O=C(NCc1ccc2c(c1)OCCCO2)N1CCC(F)(F)C1 678977299 JYJQTZCENNVQCK-UHFFFAOYSA-N 312.316 2.399 0 50 DEAA COc1cccc(C)c1CN[C@H]1CCC[C@@H](S(C)(=O)=O)C1 585118179 FYWZDJYUWBEVJV-UONOGXRCSA-N 311.447 2.449 0 50 DEAA COc1cccc2c1CC[C@]2(N)C(=O)N1CCC(C)(F)CC1 1615550733 ZHZGZFUCMMKIBT-QGZVFWFLSA-N 306.381 2.146 0 50 DEAA Cc1cc(COCC(=O)Nc2cncc3c2CCCC3)no1 1615550977 XYDGJKCHNPNDCQ-UHFFFAOYSA-N 301.346 2.412 0 50 DEAA CCc1oc(C(=O)Nc2nccn2C)cc1CN1CCCC1 1506395968 PTVVHQRICJJDBC-UHFFFAOYSA-N 302.378 2.424 0 50 DEAA C[C@H](CC(N)=O)N(C)Cc1cc(O)c2cccc(Cl)c2n1 1506421830 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C[C@H](N)[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 121971334 BDNSASWESJMYBW-LRDDRELGSA-N 316.380 2.353 0 50 DEAA CCc1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)nc1 65383280 YGRQJTJHEYNFSO-UHFFFAOYSA-N 317.824 2.410 0 50 DEAA O=C(Nc1ccn(CC(F)(F)F)n1)c1cccnc1S 123987679 OFSGDXGVRHRFCA-UHFFFAOYSA-N 302.281 2.381 0 50 DEAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CCC[C@H]1Cc1ccccc1 282422256 YITIKFHTCITPSK-BPUTZDHNSA-N 315.417 2.070 0 50 DEAA O[C@H]1CCc2cnn(Cc3nc(C(F)(F)F)cs3)c2C1 331587603 MUALOTRWOBXNAE-QMMMGPOBSA-N 303.309 2.256 0 50 DEAA CO[C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CN(c3ccccc3)C2=O)C1 366398626 PCOUBNZRTVPEEK-FVQBIDKESA-N 316.401 2.113 0 50 DEAA CCCN(CCO)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 72478372 ATSMRODQGCZSCG-UHFFFAOYSA-N 315.417 2.393 0 50 DEAA O=C(CCOc1ccccc1)N1CCO[C@H](C(F)(F)F)C1 71753291 TXIAMFHGCAQZSZ-LBPRGKRZSA-N 303.280 2.245 0 50 DEAA C[C@H]1CN(C(=O)C[C@H]2CSCCN2)c2ccc(F)cc2O1 237743937 PLUAQGRGMOSZGU-JQWIXIFHSA-N 310.394 2.035 0 50 DEAA CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H]1c1ccc(C)o1 374222189 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319.401 2.035 0 50 DEAA CCOCc1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CC(C)C 338983307 VOUMOKSYNZTREU-LSDHHAIUSA-N 322.453 2.333 0 50 DEAA CNC[C@@H]1CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)C1 179011670 MVTNRLGYVYJQER-ZDUSSCGKSA-N 306.406 2.164 0 50 DEAA O=C(O)[C@H]1CCCN(c2nc(-c3ccccn3)nc3c2CCC3)C1 263417039 OEQOIYWHJQXRNS-LBPRGKRZSA-N 324.384 2.328 0 50 DEAA CNC(=O)[C@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 223701325 RJMCFYARVLQGQV-QGZVFWFLSA-N 319.364 2.452 0 50 DEAA CN(CCc1ncon1)C(=O)NCCc1ccccc1Cl 426503436 RZTCUXNCHYDXHC-UHFFFAOYSA-N 308.769 2.150 0 50 DEAA COCCCN1CC[C@@H](CNc2nc3c(s2)c(C)nn3C)C1 96165734 OTENFBIHAGUYON-LBPRGKRZSA-N 323.466 2.109 0 50 DEAA Cc1cnc(CNC(=O)Nc2ccnn2C2CCCC2)cn1 95497352 RTGYWPPUBUQWKZ-UHFFFAOYSA-N 300.366 2.418 0 50 DEAA COc1cc(-c2ccc(C(=O)N3CCOCC3)o2)c(Cl)cn1 96150960 BTRSGFKXIXWVRU-UHFFFAOYSA-N 322.748 2.476 0 50 DEAA CCCSCCNC(=O)[C@@H]1CC(=O)Nc2ccc(OC)cc21 97654124 BPKXFIZDALMLLP-CYBMUJFWSA-N 322.430 2.380 0 50 DEAA CCc1c(C)nn(C)c1NC(=O)NCCc1nc(C)cc(C)n1 96166350 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KFHNEFVCXKWABH-UHFFFAOYSA-N 319.430 2.358 0 50 DEAA CCc1ccc(CC(=O)N2CCC(N3CCCC3=O)CC2)cc1 119141045 ABGKEUAIFWSWRS-UHFFFAOYSA-N 314.429 2.405 0 50 DEAA CNC[C@H]1CCCN(S(=O)(=O)c2cccc(C)c2Cl)C1 237320429 AMPAMXHVZPOQLG-GFCCVEGCSA-N 316.854 2.269 0 50 DEAA COCc1c(C(=O)NC2CCCC2)nnn1-c1ccc(C)cc1 12274067 UUXSEHLVOVGCAZ-UHFFFAOYSA-N 314.389 2.395 0 50 DEAA Cc1cccc([C@@H](C)N(C)CCn2cnc3c(N)ncnc32)c1 585133180 ZIBLHZUIRMITLR-CYBMUJFWSA-N 310.405 2.410 0 50 DEAA CCCc1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cc(O)n1 820990968 XQRVLMSHYBHJJO-ZDUSSCGKSA-N 315.377 2.225 0 50 DEAA Cc1ccc2c(C(=O)N3CCC(O)(CO)CC3)c(C)ccc2c1 825203326 QWVJLYUKMXCSAB-UHFFFAOYSA-N 313.397 2.416 0 50 DEAA CN(C)c1cc(NC(=O)NCc2cc(C(F)F)on2)ccn1 932173593 ZPPWEHBCPUFKFS-UHFFFAOYSA-N 311.292 2.395 0 50 DEAA CCc1nnc(NCc2ccnc(-c3ccccn3)n2)nc1CC 1119287619 LZVZNNXKHFXPBS-UHFFFAOYSA-N 321.388 2.461 0 50 DEAA Cc1ccn(C[C@@H](C)C(=O)Nc2c[nH]nc2-c2ccccn2)n1 866738796 RILXCAWQLKNUPC-LLVKDONJSA-N 310.361 2.251 0 50 DEAA C[C@@H](CN)Nc1nc(Cl)nc2c(Br)c[nH]c12 872774625 LTHBXCINAZDBJI-BYPYZUCNSA-N 304.579 2.133 0 50 DEAA CC(C)[C@](O)(C(=O)N[C@@H](CO)c1ccccc1)c1ccccc1 1875257765 VZLCTBFLRHBQNI-PKOBYXMFSA-N 313.397 2.380 0 50 DEAA Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)n[nH]1 1875255210 QSGULRNMTXZFGZ-SFHVURJKSA-N 324.428 2.267 0 50 DEAA O=C(NCc1nc(C(F)(F)F)no1)N1C[C@H]2CCC[C@H]2C1 888095415 CFJKWYWNXONZJK-OCAPTIKFSA-N 304.272 2.030 0 50 DEAA O=C(NCc1cnn(CCF)c1)[C@@]1(c2ccccc2)CCCO1 888334911 NJWPFCZHUWORBI-KRWDZBQOSA-N 317.364 2.175 0 50 DEAA CCC(CC)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O 1775993772 KFCABTODHXLVJR-CVEARBPZSA-N 318.417 2.124 0 50 DEAA Cc1cc(C)nc(NC(=O)CS(=O)(=O)CCC(F)(F)F)c1 1775999735 VOMKNGKQDARTMN-UHFFFAOYSA-N 324.324 2.004 0 50 DEAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1occc1Br 269192489 RVGCGYNQUKFLJX-PSASIEDQSA-N 301.184 2.384 0 50 DEAA Cc1ccc(F)cc1C1(c2noc([C@@H]3CNCCO3)n2)CC1 843235499 VHAWWSPUEDZOKT-ZDUSSCGKSA-N 303.337 2.258 0 50 DEAA Oc1cccc(N2CCN(c3cc(C(F)F)ncn3)CC2)c1 2325764369 AWBTXELGQINVFY-UHFFFAOYSA-N 306.316 2.446 0 50 DEAA C[C@@H]1CCN(C(=O)C(C)(C)Cc2cnn[nH]2)C[C@H]1C(F)(F)F 2325800045 JWSIMZNBMPUPRA-MWLCHTKSSA-N 318.343 2.420 0 50 DEAA CC[C@](C)(C(N)=O)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 2325800925 MWXPPCJDODVKCS-QGZVFWFLSA-N 314.389 2.329 0 50 DEAA O=C(N[C@H]1C[C@H](C(=O)O)C1)c1cc(-c2ccc(F)cc2)on1 851625891 YAIHGZGCDYRFJI-HOMQSWHASA-N 304.277 2.074 0 50 DEAA N[C@@H](CCCNC(=O)Nc1ccc(F)cc1C1CC1)C(=O)O 2325873710 QRWJGQRDEKSXNE-LBPRGKRZSA-N 309.341 2.017 0 50 DEAA C=CC(=O)N(C)CC(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 862225250 ZVNUJRRNJUKQOU-LBPRGKRZSA-N 310.300 2.056 0 50 DEAA C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)C1 1124539 PRMMUEPAVYEDPA-QWHCGFSZSA-N 324.446 2.198 0 50 DEAA O=C(N[C@@H](C(=O)O)c1ccc(O)cc1)OCc1ccccc1 1435892 CGDQNVNWDDEJPY-CQSZACIVSA-N 301.298 2.444 0 50 DEAA COC[C@H]1CN(CCOc2ccccc2OC)CC(C)(C)O1 343335068 SKNIXKOZUKJRQX-CQSZACIVSA-N 309.406 2.200 0 50 DEAA CN1C(=O)C2(CCN(C(=O)C3CCC3)CC2)Nc2ccccc21 55360239 RJQQAFDCJWDWFR-UHFFFAOYSA-N 313.401 2.236 0 50 DEAA CO[C@]1(C)C[C@H](NC(=O)N[C@H](c2nncn2C)C(C)C)C1(C)C 345196372 VPPWSIPOPFACOT-MQIPJXDCSA-N 323.441 2.015 0 50 DEAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)CCCc1nc(C)no1 247946246 IDBSUNFKKJUXIC-LSDHHAIUSA-N 320.437 2.176 0 50 DEAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc2O1 248111814 HJPZSLYYOLMWRU-BFYDXBDKSA-N 300.402 2.075 0 50 DEAA CCOc1cccc2[nH]cc(CC(=O)N3C[C@@H](F)C[C@H]3CO)c12 347406565 JQYUVQXPRQGOFB-STQMWFEESA-N 320.364 2.040 0 50 DEAA Cn1c2[n+](c(=O)c3ccccc31)CC[C@@H]1c3ccccc3N[C@H]21 90733847 KFASAPQSLORVRQ-DYVFJYSZSA-N 304.373 2.480 0 50 DEAA biogenic,in-vitro CCNc1cc(N2CCN(C(=O)C3CCCC3)CC2)nc(C)n1 67602005 VIVDNNGQGIAGMZ-UHFFFAOYSA-N 317.437 2.056 0 50 DEAA CC(C)C[C@H](C)OCCc1nc(-c2ccn(C)c(=O)c2)no1 351264299 OWVCERDRLYKHBS-LBPRGKRZSA-N 305.378 2.429 0 50 DEAA CCn1ccnc1CN1CCN(CCc2ccncc2)C[C@H]1C 252474468 FQCBXNNNMVTSDQ-MRXNPFEDSA-N 313.449 2.047 0 50 DEAA CC(=O)N1CCN([C@@H]2CN(CC3CCCCC3)C[C@@H]2C)CC1 229306003 QTGBOJYAULTUPS-MAUKXSAKSA-N 307.482 2.051 0 50 DEAA CCc1nn(C)c(CC)c1CN1C[C@H](CC)O[C@]2(CCOC2)C1 253427588 CUTCLKBSVPAFHR-KBXCAEBGSA-N 321.465 2.315 0 50 DEAA O=C(c1ccc(CO)c(F)c1)N1CCO[C@@H](c2ccco2)C1 253405252 IYVIQMRLTVNRRC-OAHLLOKOSA-N 305.305 2.125 0 50 DEAA O=C(O)c1ccccc1[C@@H]1CCN(C(=O)C2CCOCC2)C1 72144618 ZRPNYLGONTWPDL-CYBMUJFWSA-N 303.358 2.127 0 50 DEAA Cc1cccc2sc(NC(=O)CSc3n[nH]c(N)n3)nc12 35655340 BPGRAELHWYPRBQ-UHFFFAOYSA-N 320.403 2.036 0 50 DEAA CC(C)C(=O)N[C@H]1CCCN(C(=O)N2CCc3ccccc32)C1 241961303 URFYTSDRBLUKCA-HNNXBMFYSA-N 315.417 2.406 0 50 DEAA COc1cc(F)c(C(=O)N[C@H](CC(=O)O)C(C)C)c(F)c1 219129181 AMZFGGPEQZZKGY-LLVKDONJSA-N 301.289 2.203 0 50 DEAA O=C(NCc1ccccc1-n1ccnc1)[C@@H](O)Cc1ccccc1 219871247 BCEGDUVJTZAUFV-SFHVURJKSA-N 321.380 2.092 0 50 DEAA Cc1ncsc1CCN(C)C(=O)CCc1c(C)nn(C)c1C 72409412 KZLFTLXBRVXPHN-UHFFFAOYSA-N 320.462 2.436 0 50 DEAA COCC[C@H]1COCCN1C(=O)Nc1c(C)cc(C)nc1C 455493315 CKKBQJCHADUWFZ-AWEZNQCLSA-N 307.394 2.276 0 50 DEAA CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)CC1CC(F)(F)C1 333102008 QEHUESLHDKKRKI-ZWNOBZJWSA-N 302.365 2.231 0 50 DEAA Cc1cc(C(=O)N(C)CC(F)(F)F)cc(C)c1OCC(=O)O 237131616 SWYYXWPCRJVFPI-UHFFFAOYSA-N 319.279 2.401 0 50 DEAA COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 373901599 CFKFKHLFATXGBC-RYPNDVFKSA-N 321.417 2.040 0 50 DEAA CN(C(=O)c1ccn(-c2ccccc2)n1)[C@H](CO)C(C)(C)C 128432928 KHNUGLYBRKZIEK-OAHLLOKOSA-N 301.390 2.351 0 50 DEAA O=S1(=O)CC[C@@]2(CCCN(c3cnc4ccccc4n3)C2)C1 333738534 VGXBDGYKYWKBJU-MRXNPFEDSA-N 317.414 2.035 0 50 DEAA Cn1ccnc1[C@@H]1CCN(c2nc3ccccc3cc2CO)C1 374369416 YWFOIUKMZZLTKP-CQSZACIVSA-N 308.385 2.455 0 50 DEAA COc1ccc(-c2nc(CN3CCC[C@@H]3C(=O)O)co2)cc1 237479980 NOPXQLQKMWPWRT-CQSZACIVSA-N 302.330 2.399 0 50 DEAA O=C(NCc1nncn1C1CC1)[C@H]1COc2ccc(Cl)cc21 375966517 AOZQTYCXQMTQAU-LBPRGKRZSA-N 318.764 2.059 0 50 DEAA Cc1noc(C)c1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 262954845 KDSUCFPGNHQPJP-GFCCVEGCSA-N 306.293 2.376 0 50 DEAA CC[C@H]1COCCN1C(=O)c1nc2ccc(Cl)cn2c1F 77457544 AAQWVFULNMHJDX-JTQLQIEISA-N 311.744 2.378 0 50 DEAA CC(C)c1cccc(CC(=O)NC[C@H]2CCCS2(=O)=O)c1 457649532 LJWBUCZTVUZANQ-OAHLLOKOSA-N 309.431 2.046 0 50 DEAA C/C(=C\c1ccccc1)CN[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C 284397268 AYBHUPVULZLKCL-ZEEVCSHPSA-N 324.428 2.385 0 50 DEAA COC[C@H]1CN(C(=O)c2cccnc2NC(C)C)CC(C)(C)O1 285458456 KCDUIFHVOWHSFM-CYBMUJFWSA-N 321.421 2.168 0 50 DEAA Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c(F)c1 337134689 CYYWCOQZQNXQKA-BMFZPTHFSA-N 307.365 2.136 0 50 DEAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(C(=O)c2coc(C)c2)C1 285912624 UBTIPGZZGFJZRC-OLZOCXBDSA-N 316.361 2.186 0 50 DEAA COc1ccc2nc(CCNC(=O)N3CC=C(C)CC3)[nH]c2c1 426730664 ZWZQTDCJMPZUMW-UHFFFAOYSA-N 314.389 2.476 0 50 DEAA CN(C(=O)/C=C/c1ccccc1OC(F)(F)F)[C@@H]1CCNC1 179100532 LEVRWQFSWBYJDU-NNNHXZLVSA-N 314.307 2.419 0 50 DEAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 239310402 IJJKBPBTDMSNKT-YXMPFFBPSA-N 307.708 2.312 0 50 DEAA CN(CCCN1CCCCCC1)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 426649613 KETGGEQPXBTIQP-LSDHHAIUSA-N 310.438 2.212 0 50 DEAA 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Cc1[nH]c(=N)nc(-c2ccc([C@@H]3CNC(=O)C3)cc2)c1Cl 1875245603 HSJUZEQEOXDZDW-NSHDSACASA-N 302.765 2.121 0 50 DEAA COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCCCC1 4487270 JQGFNLQOMCHPEK-HNNXBMFYSA-N 307.390 2.123 0 50 DEAA CCN1CCN(C(=O)c2cscc2C)C[C@@H]1c1nccn1C 328620300 GWKJVUOQOKHUDU-CQSZACIVSA-N 318.446 2.309 0 50 DEAA CC[C@@H](O)CC(=O)N1C[C@H](COc2ccccc2)OC(C)(C)C1 331293745 CAKKXUIYRISOHB-GDBMZVCRSA-N 321.417 2.232 0 50 DEAA CCCn1nc(C)c(C(=O)N2CC[C@H](c3nc(C)no3)C2)c1C 331491813 CDHYTNKTNGCXIS-ZDUSSCGKSA-N 317.393 2.231 0 50 DEAA O=C(O)CCNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 238177553 HOEXNGXORXIQFI-MNOVXSKESA-N 301.264 2.400 0 50 DEAA CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ccon1 669047876 GWJGZSYPBBAIFZ-ZIAGYGMSSA-N 318.377 2.017 0 50 DEAA CCn1cc(CC(=O)NCCc2cc3ccccc3s2)nn1 820624070 BPBFYQCYPHRQCJ-UHFFFAOYSA-N 314.414 2.414 0 50 DEAA COc1ccc(-c2noc(C[C@@H]3CCCS3(=O)=O)n2)c(C)c1 924141112 ZVDFDPYFZLPVMH-LBPRGKRZSA-N 322.386 2.173 0 50 DEAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCCc3cccnc3)n[nH]c21 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Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)[C@H](C)n1cncn1 328619929 GLVUQTOEPCPPQC-JQWIXIFHSA-N 319.434 2.183 0 50 DEAA CN(C(=O)C[C@H]1CCCS(=O)(=O)C1)C1CCC(F)(F)CC1 329088379 HXOSQARXDHDJNV-LLVKDONJSA-N 323.405 2.238 0 50 DEAA Cc1nnc(CN2CCCN(C(=O)c3ccsc3)CC2)s1 253418308 AFCRVSRFCMIHQE-UHFFFAOYSA-N 322.459 2.256 0 50 DEAA COc1cccc2c(NC(=O)[C@@H](C)n3cncn3)c(C)cnc12 253416629 UMJBPVUTJNKSJM-LLVKDONJSA-N 311.345 2.343 0 50 DEAA CN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)cc(F)c1N 253421771 SUONISDXAKCQON-UHFFFAOYSA-N 316.760 2.475 0 50 DEAA Nc1ncccc1CN1CCC[C@@H]1c1nc(-c2ccccn2)no1 77285971 VBVPWLPSFFERKM-CQSZACIVSA-N 322.372 2.446 0 50 DEAA COc1cccc(CN2CCN(C(=O)C3CCCC3)CC2=O)c1 77472316 PJEZPKKCVINPJY-UHFFFAOYSA-N 316.401 2.056 0 50 DEAA C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc2c1OCO2 365770221 PRJRQEKPQJBBCH-JTQLQIEISA-N 310.309 2.403 0 50 DEAA NC(=O)NC1(C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)CC1 155902235 USANVBXEMGUFDV-RDTXWAMCSA-N 313.401 2.115 0 50 DEAA C[C@H]1CCC[C@H](C)N1C(=O)CN1NC(=O)CC12CCCCC2 240897270 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Cc1ccc2nc(C(=O)N3CCN(C)C(=O)C3(C)C)ccc2c1 294897688 JCZKCNMKWVMDGV-UHFFFAOYSA-N 311.385 2.236 0 50 DEAA CCn1nc(C)c(NC(=O)NCc2ccc3nonc3c2)c1C 96151201 FOQPAWLDMKFTQI-UHFFFAOYSA-N 314.349 2.378 0 50 DEAA O[C@H](CN1CCN(C2CCSCC2)CC1)c1ccccc1 244872946 WHJJICGFNBMMNL-QGZVFWFLSA-N 306.475 2.233 0 50 DEAA Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)[C@H]2C[C@@H]2C(=O)O)cc1 299749322 JYASOQOVWNWGHH-AJNGGQMLSA-N 303.358 2.052 0 50 DEAA COc1ccc(CC(=O)Nc2c3c(nn2C)CSC3)cc1 604419651 NIVJPYSUDKTGJR-UHFFFAOYSA-N 303.387 2.357 0 50 DEAA O=C(CCCc1cn[nH]c1)NCc1ccc2nsnc2c1 828027312 RSHVANFRBVNWQV-UHFFFAOYSA-N 301.375 2.054 0 50 DEAA Cc1nc(C(F)(F)F)ncc1CN(C)C[C@H]1CCN(C)C1 823716282 UJROVFOWPSEJBL-NSHDSACASA-N 302.344 2.187 0 50 DEAA Cc1ccn2c(=O)cc(CN(C)Cc3cscn3)nc2c1 670467430 CPVIIAMQDFKEPJ-UHFFFAOYSA-N 300.387 2.091 0 50 DEAA CCn1cnnc1CN1CCC(Oc2ccccc2F)CC1 670469551 HKCJGDUZEHXLHE-UHFFFAOYSA-N 304.369 2.481 0 50 DEAA C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H](C)C2CCOCC2)c1 1349321345 QYWCCHXPZMFDHC-LLVKDONJSA-N 318.373 2.062 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CCn1ncnc1CN[C@H]1CCCN(Cc2ccccc2F)C1 952980737 XVQCJZKEYJICBH-HNNXBMFYSA-N 317.412 2.191 0 50 DEAA COc1ccc2[nH]c(CNCc3cnc(N(C)C)nc3)cc2c1 952978757 BYERZPIBAFKFIG-UHFFFAOYSA-N 311.389 2.322 0 50 DEAA O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1cnn2c(-c3cccnc3)ccnc12 636057579 DOSSJTUOXZWHBT-BTTYYORXSA-N 319.368 2.320 0 50 DEAA Cc1ncn(Cc2nc(CCc3ccccc3)no2)c(=O)c1C 188261021 AFECWIUWWSVXGO-UHFFFAOYSA-N 310.357 2.077 0 50 DEAA CN(Cc1ccon1)[C@@H](C(=O)O)c1ccc(-n2cccn2)cc1 95372267 UJYGOTMQIRDMRO-OAHLLOKOSA-N 312.329 2.118 0 50 DEAA C[C@@H](N[C@@]1(CO)CCOC1)c1cc(Br)ccc1F 170077953 RIDYRTVIKXEJPZ-NOZJJQNGSA-N 318.186 2.390 0 50 DEAA Cc1cc(Cl)cc2cc(C(=O)NCCc3nncn3C)[nH]c12 170080405 PAQDQJJBQRWXNC-UHFFFAOYSA-N 317.780 2.231 0 50 DEAA CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ncc(F)cc1Cl 637433482 UZTQFOGBQFIXCS-NSHDSACASA-N 313.760 2.460 0 50 DEAA Cc1ncc(S(=O)(=O)NC(=O)[C@@H]2CCCCC2(C)C)s1 408486020 INPWBYMERQMWHY-JTQLQIEISA-N 316.448 2.473 0 50 DEAA CC(C)[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(CO)c(F)c1 408474830 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2.400 0 50 DEAA Cc1cc(Cn2c(=O)cnc3cccc(Cl)c32)oc(=O)c1 1875357153 ZYHUPTJWXAMBLL-UHFFFAOYSA-N 302.717 2.360 0 50 DEAA CC(C)C[C@@H]1CN(C)CCN1C(=O)c1cnc2cc[nH]c2c1 886602777 ZBHPOIHNEUZJMH-CQSZACIVSA-N 300.406 2.365 0 50 DEAA C[C@H](NC(=O)NC[C@]12C[C@H]1COC21CCC1)c1ccccn1 891524067 IIXDYWWSPAMCKT-HEHGZKQESA-N 301.390 2.401 0 50 DEAA Cc1nccc(CNC(=O)NCc2nc(C(C)(C)C)co2)n1 892190549 AYMPMSOBUDUOEB-UHFFFAOYSA-N 303.366 2.070 0 50 DEAA COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1C=CO[C@H]1O2 402672 OQIQSTLJSLGHID-RBHXEPJQSA-N 312.277 2.277 0 50 DEAA endogenous,in-man Cc1ccc2c(c1)c(CCN=c1cc(C)nc(CO)[nH]1)cn2C 2325790800 LZYGMMOMISJKBD-UHFFFAOYSA-N 310.401 2.154 0 50 DEAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1CC2)NC[C@@H]1CCC[C@@H](C(=O)O)O1 2325810105 PMLPCMLGUQDZBH-QTVXIADOSA-N 307.390 2.117 0 50 DEAA COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(C)cc32)cc1 316446 MVFPJZCZGPBDII-GOSISDBHSA-N 311.337 2.416 0 50 DEAA COC(=O)c1sccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 460542 BTUCDCVKKNNAFO-DTWKUNHWSA-N 311.359 2.364 0 50 DEAA Cc1cc(C)cc(N([C@H](C)C(=O)N2CCCC2)S(C)(=O)=O)c1 816605 LCYGOTXGKNSDEO-CQSZACIVSA-N 324.446 2.080 0 50 DEAA Cc1noc(-c2ccnc(N[C@H]3CC[C@H](C(=O)O)CC3)c2)n1 2356164820 IEGOGRMECRAADE-UMSPYCQHSA-N 302.334 2.495 0 50 DEAA O=C(CSc1ncn[nH]1)Nc1nc(-c2ccccc2)ns1 4278549 GJONYHFYMDJMFU-UHFFFAOYSA-N 318.387 2.054 0 50 DEAA C[C@@H]1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 4852311 LBQUEISFVGQCLQ-LLVKDONJSA-N 307.371 2.214 0 50 DEAA Cc1ccc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 6741544 KPPKJKJJSVJTHQ-UHFFFAOYSA-N 312.369 2.115 0 50 DEAA O=C(CC[C@H]1CCCCO1)NCc1cccnc1-n1ccnc1 110622456 OPZOYYRRBZRNPZ-OAHLLOKOSA-N 314.389 2.233 0 50 DEAA NC(=O)C1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 9741008 RPYVDVVCZZTLRM-UHFFFAOYSA-N 324.306 2.350 0 50 DEAA Cc1nc(CCC(=O)N(CCN2CCCCCC2)C(C)C)n[nH]1 55253615 OMIQJUGUYQBRLB-UHFFFAOYSA-N 321.469 2.159 0 50 DEAA CCCc1noc(CN2CCCC[C@@H]2CCN2CCOCC2)n1 23337867 PLEHOZRIBSSXFD-OAHLLOKOSA-N 322.453 2.099 0 50 DEAA CN(CCC(=O)O)S(=O)(=O)c1cccc(-c2ccccc2)c1 349000625 FHZZSNQJECFKAC-UHFFFAOYSA-N 319.382 2.449 0 50 DEAA O[C@H](CN[C@@H](c1ccccc1)c1nccs1)Cn1cccn1 171638185 WNZASNCQUROZKV-CABCVRRESA-N 314.414 2.080 0 50 DEAA Cc1cccc2nc(C(=O)NC[C@H]3CCCN(C(C)C)C3)cn12 63694784 DMEPEZPTPYJXBH-OAHLLOKOSA-N 314.433 2.493 0 50 DEAA CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 25896288 ZVUBPRGRVNQVEQ-CYBMUJFWSA-N 324.446 2.420 0 50 DEAA CCC(CC)n1ccc(C(=O)NC[C@H]2CCNCC2(F)F)n1 423693637 HKDNBZMBCSULLQ-LLVKDONJSA-N 314.380 2.219 0 50 DEAA COc1cccc([C@H](C)N2CCN(CCCC(=O)O)CC2)c1 172090021 QKUDFSLHUCUQFY-AWEZNQCLSA-N 306.406 2.239 0 50 DEAA C[C@H]1CCc2ccccc2N1CCC(=O)NCc1cnn(C)c1 172680794 WQNQNFQQPDUDGZ-AWEZNQCLSA-N 312.417 2.268 0 50 DEAA CNC[C@H]1CCCN1C(=O)Cc1cccc(Br)c1 122612581 DSVOUEJYKDNQRT-CYBMUJFWSA-N 311.223 2.202 0 50 DEAA CC[C@H](NC(=O)c1nnn(CC2CCCC2)c1C)C(C)(C)O 358587677 YBBNXEAFHIWKMO-ZDUSSCGKSA-N 308.426 2.056 0 50 DEAA COc1cccc([C@H]2CCCCN2CCCn2cnnn2)c1 72168895 OQWUCBJSQBMVEU-MRXNPFEDSA-N 301.394 2.299 0 50 DEAA CN(CC(=O)NC1CC1)c1ncc(Cl)cc1Br 159739493 ULJYBIYOZJTBDF-UHFFFAOYSA-N 318.602 2.212 0 50 DEAA CC(C)c1nc([C@H]2CCCN2C(=O)CC2CCNCC2)no1 155030440 IQTZJASNQGINRQ-CYBMUJFWSA-N 306.410 2.246 0 50 DEAA Cc1cn2c(n1)[C@@H](CN1C(=O)N(C)C3(CCCC3)C1=O)CCC2 365371392 HWQQMHSBZAHFQP-CYBMUJFWSA-N 316.405 2.276 0 50 DEAA O=C(c1ccc(Oc2ccccc2)cc1)N1C[C@H](O)C[C@H]1CO 366642232 NFBQAXUQFDIEBX-LSDHHAIUSA-N 313.353 2.047 0 50 DEAA C[C@@H](Cn1ccnc1-c1ccc(F)cc1F)N1CCN(C)CC1 77421997 PQSDCWNGSUBECH-ZDUSSCGKSA-N 320.387 2.464 0 50 DEAA CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccnc(C(=O)O)c1 262788042 MTTVEEZFHSZDSZ-KBPBESRZSA-N 320.389 2.446 0 50 DEAA O=C(O)[C@@H]1CCCN(C(=O)CCCOc2ccc(F)cc2)C1 237942629 HSNKNQYMIKPZFR-GFCCVEGCSA-N 309.337 2.308 0 50 DEAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc2ncccc12 219319591 ZBKKIYHLCGVDEA-ABFRBSLYSA-N 312.369 2.015 0 50 DEAA Cc1cccc(OCCN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 284735280 INZGUJDMHVCDEH-KZNAEPCWSA-N 305.418 2.236 0 50 DEAA CN(C)CC[C@H]1CCN(C(=O)c2ccc(-n3cccc3)nc2)C1 1364778800 LCKXWXOKUZIOIP-HNNXBMFYSA-N 312.417 2.286 0 50 DEAA Cc1ccc(CCC(=O)N2CC[C@@H](C)S(=O)(=O)CC2)s1 290503591 SRLPBRURIQNYJM-GFCCVEGCSA-N 315.460 2.025 0 50 DEAA O=C(CCCN1Cc2ccccc2C1=O)NCc1ccccn1 41128109 YKISUSLWUSXLKO-UHFFFAOYSA-N 309.369 2.134 0 50 DEAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1scnc1C 222568279 HVGUIATYWSBTDY-CHWSQXEVSA-N 310.419 2.322 0 50 DEAA CCOC(=O)c1cn2cc(-c3ccc(F)cc3)[nH]c(=O)c2n1 221636690 KUCBWYGFYFIGGC-UHFFFAOYSA-N 301.277 2.005 0 50 DEAA Cc1cc(=O)cc(C(=O)N2CCC(CCn3cccn3)CC2)o1 221243185 NTPIUEFJFGXBLY-UHFFFAOYSA-N 315.373 2.087 0 50 DEAA CCc1nc2ccccc2n1CCC(=O)N1CCO[C@@H](C)C1 426667508 PJQMXBNTWPDTPR-ZDUSSCGKSA-N 301.390 2.236 0 50 DEAA OCCn1nc(CC2CC2)nc1-c1ccccc1-n1cccn1 92081943 IWCUCSROZPANJV-UHFFFAOYSA-N 309.373 2.076 0 50 DEAA COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3ccon3)[nH]c2C1 95363879 CAAJHIOPHDLXNL-JTQLQIEISA-N 324.340 2.143 0 50 DEAA Cc1cc([C@@H]2CCCN2C(=O)c2cc(C)c(C)[nH]c2=O)on1 91644515 VOLCIYVPGPWXMB-ZDUSSCGKSA-N 301.346 2.265 0 50 DEAA CN(Cc1ccon1)C(=O)C1CCN(C(=O)C2CCCC2)CC1 91952065 SHBYBULMZOYRCF-UHFFFAOYSA-N 319.405 2.062 0 50 DEAA OCC[C@@H]1CN(Cc2c(Cl)ccc(O)c2Cl)CCO1 97713526 NQFPHPGYHGHZHZ-SECBINFHSA-N 306.189 2.282 0 50 DEAA CCOC(=O)N1CCC(NC(=O)c2csc(C(C)=O)c2)CC1 96163384 NBJQGXZNXQKVKB-UHFFFAOYSA-N 324.402 2.301 0 50 DEAA Cc1ccc([C@H](CNC(=O)C2CCN(C(C)C)CC2)N(C)C)o1 95529105 ATINSINAFVGDQQ-INIZCTEOSA-N 321.465 2.427 0 50 DEAA CCOc1ccccc1CCC(=O)N1CCCC[C@H]1C(=O)O 236905887 XDISIENOEZOOGF-AWEZNQCLSA-N 305.374 2.484 0 50 DEAA CN(CCC(=O)NCc1cccs1)CCc1ccccn1 244831504 UETRGQLGZJVYOZ-UHFFFAOYSA-N 303.431 2.324 0 50 DEAA O=C(O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(C3CC3)cc2)C1 297003838 RATIBVRXGCEEST-LBPRGKRZSA-N 323.414 2.439 0 50 DEAA Cc1cc(C)nc(NCCCC(=O)Nc2nc(C(C)C)n[nH]2)n1 252510098 ZBJRAXCXTZPGQC-UHFFFAOYSA-N 317.397 2.166 0 50 DEAA O=C(c1cn2c(n1)COCC2)N(CC1CCC1)CC(F)(F)F 626007398 DWKFYBCSNZDURZ-UHFFFAOYSA-N 317.311 2.218 0 50 DEAA CC(C)c1cc(CN2CCCN(c3ncccn3)CC2)no1 252478160 AEUWVZMENOBXCP-UHFFFAOYSA-N 301.394 2.300 0 50 DEAA Cc1nc([C@H]2CCCN(C(=O)NCc3c(C)noc3C)C2)no1 368954014 BURFPMAQZHUSFI-LBPRGKRZSA-N 319.365 2.072 0 50 DEAA C[C@H](O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 584904487 RFZVPVICIRRQHG-XTRIDRKHSA-N 301.342 2.201 0 50 DEAA C[C@@H](CN(C)c1cc(C(F)(F)F)ccn1)N1CCOCC1 670460770 FBHQTXUQESQAEX-NSHDSACASA-N 303.328 2.257 0 50 DEAA OC[C@H]1CCCN(CCNc2nnc(-c3ccccc3)s2)C1 952986040 CWLHRZQXJDPMNX-ZDUSSCGKSA-N 318.446 2.321 0 50 DEAA CCc1nccn1CCCNCc1cnn2c(C)cc(C)nc12 952974237 HUCNRPLHNDKMIP-UHFFFAOYSA-N 312.421 2.285 0 50 DEAA Cc1nccc(N2CCN(c3nc4ccccc4nc3C)CC2)n1 273522792 SJFDOHOELBJQCG-UHFFFAOYSA-N 320.400 2.363 0 50 DEAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc(Cl)c[nH]1 275325725 JNPRNBHRYBTFNU-JQWIXIFHSA-N 308.769 2.145 0 50 DEAA C[C@H](CC(=O)NCCCOCC1CC1)NC(=O)c1ccccc1 170123493 FLZKXANHQWJZMQ-CQSZACIVSA-N 318.417 2.128 0 50 DEAA Cc1ccc(-n2nnnc2N2CCC[C@H](n3ccnc3C)C2)cc1 742405078 OYZSWRNLBPMQRV-INIZCTEOSA-N 323.404 2.317 0 50 DEAA CN(C)c1cc(NC(=O)NCCOc2ccccc2F)ccn1 640610482 LSPSVDXLYMETDS-UHFFFAOYSA-N 318.352 2.487 0 50 DEAA CCCN1CCN(C(=O)[C@@H](C)n2cncn2)c2cc(F)ccc21 189964606 AZJBZBJBKHAUNP-GFCCVEGCSA-N 317.368 2.241 0 50 DEAA O[C@]12CCCC[C@H]1CN(Cc1nnc([C@@H]3CCCOC3)o1)CC2 644252990 ZAXXTPZCXYBBJF-KEYYUXOJSA-N 321.421 2.091 0 50 DEAA CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccsc1 191547795 FEFTZYSMWJOQRI-UHFFFAOYSA-N 308.428 2.219 0 50 DEAA Cc1cccc(C)c1-n1nnnc1SCCCC(=O)N(C)C 191708999 PJLVGBXCRPLMSB-UHFFFAOYSA-N 319.434 2.240 0 50 DEAA Cn1cccc1[C@H]1COCCN1C(=O)c1ncoc1C1CC1 645983656 WRDIQWJTGJLBRL-CYBMUJFWSA-N 301.346 2.104 0 50 DEAA COCc1ccc([C@H]2CCCN2Cc2nc(N(C)C)no2)o1 192804698 NJZWTAAZQYBSDN-GFCCVEGCSA-N 306.366 2.212 0 50 DEAA COC(=O)Cn1ncc(NC(=O)c2ccc3cc[nH]c3c2)c1C 193869726 FUYGEQYOIRTYPP-UHFFFAOYSA-N 312.329 2.098 0 50 DEAA O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCC(c2nnc(O)o2)CC1 653030681 VHLVTOBHLJSYRB-NTZNESFSSA-N 303.362 2.084 0 50 DEAA C[C@H](c1nnnn1C1CC1)S(=O)(=O)c1ccc2c(c1)CCC2 195579490 CIXLZELVHMHAIG-SNVBAGLBSA-N 318.402 2.032 0 50 DEAA Clc1cc2c(N3CCC[C@@H](Cn4cncn4)C3)[nH]cnc-2n1 754676797 VPWXJBVKCKUNOZ-SNVBAGLBSA-N 317.784 2.071 0 50 DEAA COc1ccc([C@](C)(O)[C@H]2CCCN2Cc2cncn2C)cc1 583615576 MGQURCSLMMMTBD-MSOLQXFVSA-N 315.417 2.301 0 50 DEAA CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)O[C@H](C)CC(C)C)n1 585114920 FLGMNPWQSGQPMG-NXEZZACHSA-N 312.370 2.203 0 50 DEAA CSC[C@@H](C)C(=O)NCc1ccc(OCC(F)(F)F)nn1 585131413 VLGQCGTWNKVYTN-MRVPVSSYSA-N 323.340 2.033 0 50 DEAA Cn1c(CCC(N)=O)nnc1SC[C@@H]1CC2CCC1CC2 585119010 MOKPLCUCNNCDNT-MCIGGMRASA-N 308.451 2.151 0 50 DEAA CON(C)C1CN(c2nn3cc(-c4ccccc4)nc3s2)C1 1643234618 OCEQINFGYIMTKS-UHFFFAOYSA-N 315.402 2.140 0 50 DEAA O[C@H](CNCc1cnn([C@H]2CC2(F)F)c1)c1ccc(F)cc1 1615587607 IGFKQAXYSIOSIC-KGLIPLIRSA-N 311.307 2.426 0 50 DEAA CCc1nn(C)c(NC(=O)c2ccccc2-n2cncn2)c1C 1529145101 BJLXFCKSXPZEFH-UHFFFAOYSA-N 310.361 2.124 0 50 DEAA C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1cc2cc(F)ccc2[nH]1 1772705975 NWTZMHUBPPXAJK-GXFFZTMASA-N 315.348 2.142 0 50 DEAA CC(C)CSc1nnc(CCNC(=O)c2ccco2)n1C 14967205 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316.401 2.307 0 50 DEAA Cc1cnc(NC(=O)CCn2cnc3ccccc3c2=O)s1 10628543 YIXDFKYNPKZKRV-UHFFFAOYSA-N 314.370 2.190 0 50 DEAA CCCCN1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)CC1=O 8271515 WKHOCJIVBGRBFT-LBPRGKRZSA-N 318.373 2.045 0 50 DEAA CCn1ccnc1CN1CCN(C2Cc3ccccc3C2)CC1 65405269 QKWBGMQXTIXPTP-UHFFFAOYSA-N 310.445 2.188 0 50 DEAA Cc1csc(S(=O)(=O)N2CC[C@H](c3cnccn3)C2)c1 1364117213 LRHWZWKKLRNJHQ-NSHDSACASA-N 309.416 2.025 0 50 DEAA CCN1CCOC(=O)[C@H]1CC(=O)Nc1ccc(C(C)C)cc1 54253672 JBKIHDVWLGJRBT-OAHLLOKOSA-N 304.390 2.386 0 50 DEAA Cn1cncc1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 20204246 JABRBOZDPKMLAL-INIZCTEOSA-N 312.417 2.062 0 50 DEAA CN1CCN(C(=O)c2c(O)cccc2O)C[C@H]1c1ccccc1 67847553 GXTMOLKXMSXMRR-AWEZNQCLSA-N 312.369 2.227 0 50 DEAA Cc1cc(NC[C@@H](C)n2cncn2)nc(N2CCCCC2)n1 65455907 MBYWSMIVYASNKX-CYBMUJFWSA-N 301.398 2.040 0 50 DEAA COc1ccc(F)c(-c2nc(CN3CCNCC3)c(C)o2)c1 67723824 QJSQKKDKVKVBBL-UHFFFAOYSA-N 305.353 2.203 0 50 DEAA COc1cc(-c2cc(Cl)cc3c2O[C@@H](CN)C3)nc(OC)n1 67847825 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321.421 2.130 0 50 DEAA Cn1nc(O)cc1C(=O)NCc1cc(Cl)c(Cl)s1 1875317741 CDPGUWFELLSTJL-UHFFFAOYSA-N 306.174 2.424 0 50 DEAA Cc1[nH]c2c(C)cccc2c1CCNC(=O)c1ncoc1CN 2325789474 RSESEKYEETZICE-UHFFFAOYSA-N 312.373 2.204 0 50 DEAA O=C(O)C12CCC(C(=O)N3CCC(c4ncco4)CC3)(C1)C2 2325808671 SRLZIMZLQWKGQX-UHFFFAOYSA-N 304.346 2.026 0 50 DEAA CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 28411 DRSDJLDHDNMXDC-UHFFFAOYSA-N 304.371 2.124 0 50 DEAA CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 74183 ZKLMJYLXALDKQP-UHFFFAOYSA-N 310.419 2.456 0 50 DEAA Cc1nccn1C[C@@H](O)COc1ccccc1Br 458906 BYBBTQMDBAHKLI-LLVKDONJSA-N 311.179 2.394 0 50 DEAA CCCCn1nnnc1NCc1cc(OC)c(OC)cc1OC 2181914 GCBUCXMXANWVSU-UHFFFAOYSA-N 321.381 2.111 0 50 DEAA O=Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1 2862186 JVWBVQVMTTVOLO-UHFFFAOYSA-N 324.380 2.227 0 50 DEAA CC[C@]1(O)CCC[C@H]2CN(c3ccc(C(=O)OC)cn3)C[C@H]21 2356148491 AQWSUWSRFZRRSA-VBQJREDUSA-N 304.390 2.246 0 50 DEAA Cc1cc(C)c(NC(=O)CSc2nc(O)cc(=O)[nH]2)c(C)c1 3848914 PHDSTKHUWVYGLG-UHFFFAOYSA-N 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322.162 2.478 0 50 DEAA CN(C)CCCC(C)(C)NC(=O)c1cnc(S)n1C1CC1 585121400 OHGCDVREWBPDTD-UHFFFAOYSA-N 310.467 2.357 0 50 DEAA CON(C)CCNC(=O)c1ccc(-c2csc(C)n2)cc1 585126496 ALHFPFMYIGPUNT-UHFFFAOYSA-N 305.403 2.342 0 50 DEAA O=C(NCC(=O)N1CCC(=C(F)F)CC1)c1ccc(F)cc1 585129993 DOZUWYCUQMIWCC-UHFFFAOYSA-N 312.291 2.329 0 50 DEAA CC[C@@H](Nc1cccnc1Cl)C(=O)NCc1cnn(C)c1C 585131631 BEXPMQNBZHSOCW-GFCCVEGCSA-N 321.812 2.284 0 50 DEAA CCc1ccc(S(=O)(=O)N2CCC[C@@H](C3(O)CC3)C2)s1 1775982511 QTBAQDVGHIIGMO-LLVKDONJSA-N 315.460 2.236 0 50 DEAA c1ccc(N2CC[C@H](N3CCN(c4ccncc4)CC3)C2)cc1 1506416213 VIIVWZWYERPKLG-IBGZPJMESA-N 308.429 2.483 0 50 DEAA O[C@H](c1cccs1)C1CCN(c2ncnc3n[nH]cc23)CC1 1506403935 XKCIAPCRSZFUSO-ZDUSSCGKSA-N 315.402 2.364 0 50 DEAA CCc1nn(C)c(NC(=O)CCc2c(C)nn(C)c2C)c1C 1529095650 RRCOYSRKRZYVDC-UHFFFAOYSA-N 303.410 2.213 0 50 DEAA CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1cnn(C)c1 114487984 LBNFEXOHRXKFDX-MRXNPFEDSA-N 310.442 2.449 0 50 DEAA COc1ccc(CN(C)C[C@H]2CCC(=O)N(C(C)C)C2)cc1O 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320.414 2.257 0 50 DEAA CS[C@@H]1CN(c2cncc(Br)c2)C[C@@H]1N(C)C 271654620 SWUOPPAJHWCUDQ-NWDGAFQWSA-N 316.268 2.326 0 50 DEAA CC(=O)N(C)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 6820856 BWQLJWWQIZIBSQ-CABCVRRESA-N 316.357 2.275 0 50 DEAA COC[C@@H](C)OC[C@@H](O)CNCc1ccc2c(c1)CCCC2 2325769746 GUWAFNUBFSJXLC-KDOFPFPSSA-N 307.434 2.067 0 50 DEAA N[C@]1(c2ccccc2)C[C@@H](NS(=O)(=O)[C@@H]2C[C@H]3CCC[C@@H]32)C1 2325800678 AWJJSBPBRNBOMB-USACIQFYSA-N 320.458 2.111 0 50 DEAA CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1 71670 DGLJZNXFARJXBF-SNVBAGLBSA-N 300.145 2.107 0 50 DEAA CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2NC(C)=O)C1 285333 MKTRVTJOXFNJCR-ZDUSSCGKSA-N 318.373 2.060 0 50 DEAA NC(=O)c1cc(N2C(=O)c3ccccc3C2=O)ccc1Cl 458072 YQSZOPGEUAXMRJ-UHFFFAOYSA-N 300.701 2.240 0 50 DEAA COc1ccc(CCNC(=O)[C@@H]2COc3ccccc3O2)cc1 619342 ZVZWYMKPHHJTPB-KRWDZBQOSA-N 313.353 2.194 0 50 DEAA COCc1nnc(NC(=O)CCCOc2ccccc2)s1 2821398 NEJKFMOZJUFJDJ-UHFFFAOYSA-N 307.375 2.482 0 50 DEAA CC(C)(CO)NC[C@@H](O)COc1ccc(-c2ccccc2)cc1 2827183 GDEYSGYAHFMAMR-QGZVFWFLSA-N 315.413 2.454 0 50 DEAA COc1cc(OC)cc(C(=O)N2CCC(N3CCCC3)CC2)c1 4744413 LKNBEFSSOQWDDF-UHFFFAOYSA-N 318.417 2.404 0 50 DEAA COc1cc(Br)c(CNC(C)(C)CO)cc1OC 4857041 AHLTXMCDSQIEJT-UHFFFAOYSA-N 318.211 2.327 0 50 DEAA Cn1ncc(Cl)c1C(=O)N1CCN(c2ccccc2F)CC1 6715090 QPCWDPTYRVVTSO-UHFFFAOYSA-N 322.771 2.175 0 50 DEAA NC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 7447217 FJOHMFSWJAUUJJ-LLVKDONJSA-N 320.780 2.087 0 50 DEAA CN1CCN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1CCO 20209430 RBRMKPCSKJBROQ-AWEZNQCLSA-N 302.340 2.204 0 50 DEAA COCc1ccc(CN2CCN(CC=C(C)C)[C@H](CCO)C2)o1 104534724 KMURZTCOSYZEGK-MRXNPFEDSA-N 322.449 2.261 0 50 DEAA Cc1cc(Cl)ccc1NC(=O)C[C@H]1CCS(=O)(=O)C1 9154700 JRGNEPLDBQQIQH-SNVBAGLBSA-N 301.795 2.412 0 50 DEAA O=c1[nH]c2ccc(S(=O)(=O)NCCC3=CCCCC3)cc2[nH]1 9879931 BNPHLDZJIPDFLM-UHFFFAOYSA-N 321.402 2.025 0 50 DEAA COc1ccc([C@@H](O)CNC(=O)[C@H]2C[C@H](C)O[C@H](C)C2)cc1 247057239 VGFPSFUBXAQJQH-LMWOUKEDSA-N 307.390 2.048 0 50 DEAA O=C1CCC[C@H](CNC(=O)c2ccc(Cl)cc2Cl)N1 345538645 IWEORYWTYHYLLH-SECBINFHSA-N 301.173 2.392 0 50 DEAA CCc1ccc(OCCN(C)C(=O)CCN2CCCC2=O)cc1 55282924 ZDHYVURAZRJSGI-UHFFFAOYSA-N 318.417 2.099 0 50 DEAA C[C@H](Oc1cccnc1)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 248565214 PIOBWWGOONIXLA-VIRABCJISA-N 318.373 2.093 0 50 DEAA Fc1ccc([C@]2(c3noc(-c4cn[nH]c4)n3)CCOC2)cc1 23398189 HTGKPOLCJAHITD-HNNXBMFYSA-N 300.293 2.305 0 50 DEAA COc1cc(NC[C@]2(c3cccc(F)c3)CCOC2)ncn1 20138601 KMCMIMLVCDKUCS-MRXNPFEDSA-N 303.337 2.395 0 50 DEAA Cc1n[nH]c(C)c1[C@H](NC(=O)c1ccnc2ccccc12)C(=O)O 67472715 JITNIOGYIWZYLK-HNNXBMFYSA-N 324.340 2.130 0 50 DEAA CC(=O)c1cc(CC(=O)N(C)C[C@@H]2CCCCN2C)cs1 20119020 JTTNJRLXBVWYBW-AWEZNQCLSA-N 308.447 2.436 0 50 DEAA COC(C)(C)C(=O)NCc1cccnc1-n1cnc2ccccc21 67688389 WGXGMXMOHLYYAH-UHFFFAOYSA-N 324.384 2.462 0 50 DEAA O=C(c1c(O)cccc1O)N1CC(Oc2ccccc2F)C1 67641302 YXRWMMCKSNRPDO-UHFFFAOYSA-N 303.289 2.140 0 50 DEAA CNC[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1 122604835 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Cc1cc2cc(C(=O)N3Cc4cnn(CCO)c4C3)ccc2o1 91616910 FDMSZLDBRFVIBM-UHFFFAOYSA-N 311.341 2.086 0 50 DEAA CCOc1cccc(NC(=O)N[C@@H](C)c2nnc(N)s2)c1 97773158 RLJLGKBRTRTJSO-QMMMGPOBSA-N 307.379 2.402 0 50 DEAA CN1CCCC[C@@H]1CCn1ncc(N2CCCCC2)cc1=O 95382923 UHRRFZSELKKSSV-OAHLLOKOSA-N 304.438 2.108 0 50 DEAA O=C(O)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c1 239235322 VTOBAQSGVFJUTB-SYQHCUMBSA-N 309.321 2.086 0 50 DEAA O[C@@H](CN1CCN(C2CCSCC2)CC1)c1ccccc1 244872945 WHJJICGFNBMMNL-KRWDZBQOSA-N 306.475 2.233 0 50 DEAA COc1cccc(C2=CCN(C(=O)c3cc4n(n3)CCC4)C2)c1 296684454 BTRQRGYICYEPCX-UHFFFAOYSA-N 309.369 2.377 0 50 DEAA CNC(=O)[C@H]1CCCCN1Cc1cc(O)c2cccc(F)c2n1 253537405 VOFRZTRFTVZBRB-CQSZACIVSA-N 317.364 2.180 0 50 DEAA CN1C[C@@H](NC(=O)c2ccc(-c3ccccc3F)o2)CC1=O 299699022 XBGIAQNZIWUQMI-JTQLQIEISA-N 302.305 2.046 0 50 DEAA COCC1(C(=O)NCc2nn(C)c3cccc(Cl)c23)CC1 534675618 DHUBFKHFUGVFDB-UHFFFAOYSA-N 307.781 2.270 0 50 DEAA C[C@H](NC(=O)CN1CCCCCCC1)c1nc(C2CC2)no1 534574553 IMGUELNCGVEROV-LBPRGKRZSA-N 306.410 2.390 0 50 DEAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)CCn1cc(Cl)cn1 299756783 IWKYUJOXUKHSCV-ZDUSSCGKSA-N 323.828 2.354 0 50 DEAA Cc1cc(C)n(CC(=O)NC[C@@H]2CCN(C3CCCCC3)C2)n1 299771293 XYDIDZQNQCZFDF-INIZCTEOSA-N 318.465 2.271 0 50 DEAA CCc1csc(CCNC(=O)[C@@H]2CC(=O)OC23CCCC3)n1 299776458 KYXHTWZGPMOICY-LBPRGKRZSA-N 322.430 2.240 0 50 DEAA CO[C@@H]1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)C1 670451724 KRQRBFXLSCZAEQ-LLVKDONJSA-N 303.811 2.366 0 50 DEAA O=C1CCC[C@@H](C(=O)Nc2cc(F)c(OC(F)F)cc2F)N1 685940032 WWXFSXFSSRMYSB-QMMMGPOBSA-N 320.242 2.173 0 50 DEAA CN1CC[C@]2(CCCN([C@@H]3CCN(c4ccccc4)C3=O)C2)C1 408523633 LXPCWYRUDZWTGZ-IEBWSBKVSA-N 313.445 2.210 0 50 DEAA Cc1noc(C)c1CN1CCN(c2nc3ccccc3[nH]2)CC1 270602910 WIRHOLKTGBYKQO-UHFFFAOYSA-N 311.389 2.490 0 50 DEAA CNC(=O)[C@H]1CCCN(c2nccc(C)c2Br)C1 170615127 UIWQDFXWRDEJOB-JTQLQIEISA-N 312.211 2.115 0 50 DEAA CCN(CCNc1nc(C(C)C)nc(N(C)C)n1)CC(F)F 170610805 GZCFXYPDWGDZQR-UHFFFAOYSA-N 316.400 2.060 0 50 DEAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(C)n2)C1 190138530 SZRMNZNTRKVYTC-VXGBXAGGSA-N 317.349 2.075 0 50 DEAA COC[C@@H](NC(=O)N1CCc2cccc(OC)c2CC1)C1CC1 194525890 HPHKSMPEXCCZDQ-MRXNPFEDSA-N 318.417 2.230 0 50 DEAA CC(C)n1ccc(CC(=O)N2CCO[C@@H](c3ccco3)C2)n1 753644718 OCYJSGFMCXSQNY-OAHLLOKOSA-N 303.362 2.200 0 50 DEAA CCCc1cc(C(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)no1 583244915 PDQQUCJZBDAXFY-BLLLJJGKSA-N 308.378 2.037 0 50 DEAA COCC1(C(=O)Nc2ccnc(O[C@H]3CCOC3)c2)CCCC1 1615049506 VQTIYWJDJAILOK-AWEZNQCLSA-N 320.389 2.395 0 50 DEAA Cn1cc([C@H]2OCC[C@@H]2NCc2cc(O)cc(Cl)c2)cn1 1615205157 GSTSJDQYLFPIRE-LSDHHAIUSA-N 307.781 2.399 0 50 DEAA O=C(c1ccc(-n2cccc2)nc1)N1CCC[C@@H](c2nc[nH]n2)C1 1651210282 JSPUZBUTIKJIKI-CQSZACIVSA-N 322.372 2.010 0 50 DEAA O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1cc[nH]c1 1506406910 KLDSIZWGFILQSN-UHFFFAOYSA-N 311.345 2.449 0 50 DEAA Cc1cc(N2C[C@H](O)[C@@H](N(C)C)C2)nc2ccc(Cl)cc12 1506409453 HIELTPLHWJBJDP-GJZGRUSLSA-N 305.809 2.308 0 50 DEAA c1cc(C[C@@H]2COC[C@H]2NC2CSCCSC2)ccn1 1704338232 ODHNXZCJISATSV-UKRRQHHQSA-N 310.488 2.077 0 50 DEAA CCCc1nc(C)cc(N2C[C@H](O)[C@H](Cc3cc(C)no3)C2)n1 1704338792 GFPZHAWEEPMSLV-HIFRSBDPSA-N 316.405 2.074 0 50 DEAA C[C@@H]1[C@@H]2CO[C@@H](O)[C@H]3[C@H]2C[C@@H]2c4[nH]c5ccccc5c4C[C@H]3N21 1772820194 LVOPRJWLXUCHRL-AFBYRLOBSA-N 310.397 2.439 0 50 DEAA NC(=O)C1(NC(=O)c2c(Cl)ccc3ncccc23)CCCC1 1775983265 UXVQABZSPDTCPH-UHFFFAOYSA-N 317.776 2.416 0 50 DEAA COc1ccc(C(C)=O)cc1CSc1nc(O)cc(O)n1 5379180 CZYNFSPSCPBIOA-UHFFFAOYSA-N 306.343 2.391 0 50 DEAA c1ccc([C@@H]2CCCN2Cc2nc(-c3cnccn3)no2)nc1 12435612 YVQORJBLYVOMGJ-AWEZNQCLSA-N 308.345 2.259 0 50 DEAA CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3ccc(F)cc32)N2CCC[C@@H]12 14987490 NKKZSSIIOCIZEJ-HYSWKAIVSA-N 318.348 2.021 0 50 DEAA CCN(CCNC(=O)c1c[nH]c(C)cc1=O)c1cccc(C)c1 19792929 OPBNNMHTEDWUJN-UHFFFAOYSA-N 313.401 2.248 0 50 DEAA COc1cc2c(cc1-c1nccn1CCC(C)(C)O)OCO2 1857723940 DFCKTAPJJLYFAV-UHFFFAOYSA-N 304.346 2.448 0 50 DEAA Cc1ccc(-c2cc(C(=O)Nc3cn(C(C)C)nn3)n[nH]2)o1 1875241322 UQRZDEAIWFWBMG-UHFFFAOYSA-N 300.322 2.403 0 50 DEAA COCc1nc(C)cc(N2CCOC[C@@H]2Cc2ccccc2)n1 426879552 SYCJXUHKGCEAFO-INIZCTEOSA-N 313.401 2.379 0 50 DEAA COC[C@]1(C)CN(Cc2cc(C(=O)O)ccc2Cl)CCO1 629379423 PNJBWQOYFXMMQH-HNNXBMFYSA-N 313.781 2.276 0 50 DEAA CC[C@@H](c1ccc(F)cc1)N1CCO[C@@H](c2nncn2C)C1 328644520 RSIIIXLIVMAUCM-LSDHHAIUSA-N 304.369 2.479 0 50 DEAA COc1ccc2c(c1)CCCCN2C(=O)C[C@H]1CCC(=O)NC1 333689442 QELIEIIOCANWAI-CYBMUJFWSA-N 316.401 2.281 0 50 DEAA CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ncn(C(C)(C)C)n1 649245077 MREUADAHSBDMKA-UHFFFAOYSA-N 316.361 2.004 0 50 DEAA COc1cccc(CCC(=O)N[C@@H]2CC23CCOCC3)c1F 456230829 FQMGINVMGYXTBD-CQSZACIVSA-N 307.365 2.452 0 50 DEAA CCOc1cc(Cl)ccc1C(=O)N1CCNC(=O)C[C@@H]1C 374864699 OFOCIMDIMZYJTQ-JTQLQIEISA-N 310.781 2.089 0 50 DEAA Cc1ccccc1CNC(=O)N1CCN(Cc2ccccn2)CC1 159061488 YIDXTKQYFOJRKV-UHFFFAOYSA-N 324.428 2.417 0 50 DEAA CC[C@H]1c2ccccc2CN1S(=O)(=O)N1CCOC(C)(C)C1 908257027 DUTILAFTEGUFJX-HNNXBMFYSA-N 324.446 2.309 0 50 DEAA CCNc1nccnc1N1C[C@@H]2CCC[C@]2(c2nnc(C)o2)C1 912383430 SETLLNHJKDICPQ-LRDDRELGSA-N 314.393 2.158 0 50 DEAA CN1Cc2nncn2C[C@@H]1c1nc(CCCc2ccccc2)no1 952893797 JMTQHGVOLWOEKU-CQSZACIVSA-N 324.388 2.023 0 50 DEAA CNC(=O)COc1cccc(NC(=O)c2cc(OC)cs2)c1 1875261730 ZCMYUTBKWXOWAP-UHFFFAOYSA-N 320.370 2.134 0 50 DEAA CC(C)(C)CN(CCc1nn[nH]n1)C(=O)C[C@@H]1CC=CCC1 1875323916 CSQHHYVFEHPQBQ-CYBMUJFWSA-N 305.426 2.363 0 50 DEAA CN(C)C/C=C/C(=O)NC1([C@H](O)c2ccc(F)cc2)CCCC1 1875376885 LZLWRLIRLUIBCU-FUTAKVPZSA-N 320.408 2.406 0 50 DEAA CO[C@@H]1CN(CC/C=C/c2ccccc2)C[C@H]1c1cn(C)nn1 886071826 AMFQSHUDZWYCSB-GACWPRQOSA-N 312.417 2.333 0 50 DEAA Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)oc1Br 935503092 RUJINDMIQKGWIO-IUCAKERBSA-N 302.168 2.384 0 50 DEAA CC(C)NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1N 424356 LIISYXCBNWCSGZ-UHFFFAOYSA-N 313.283 2.007 0 50 DEAA CC(=O)O[C@H]1Cc2c(cc3oc(C)cc(=O)c3c2O)OC1(C)C 15267001 ZHMBJOBSCRAOAO-AWEZNQCLSA-N 318.325 2.452 0 50 DEAA biogenic,in-vitro Cn1nc(CN2Cc3ccccc3[C@@H](C(=O)O)C2)cc1C1CC1 2325797739 PSIHWJANCYWZAT-INIZCTEOSA-N 311.385 2.482 0 50 DEAA COc1ccc(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1 12855 OZTHOTKXNUHKEE-UHFFFAOYSA-N 315.281 2.344 0 50 DEAA O=C(N[C@@H](CCc1nc2ccccc2[nH]1)C(=O)O)c1ccccc1 189065 XBZZZJHUNILSRI-HNNXBMFYSA-N 323.352 2.379 0 50 DEAA CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1 455724 GFNPTHMHJCSMEG-UHFFFAOYSA-N 308.337 2.336 0 50 DEAA CC(C)CNC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 1200599 NWPBWJILHDXEHW-UHFFFAOYSA-N 302.374 2.324 0 50 DEAA O=C(OCCNC(=O)c1ccc2ccccc2n1)c1cccnc1 2900979 XORPKFJCETYGMS-UHFFFAOYSA-N 321.336 2.217 0 50 DEAA COC(=O)c1sc(NC(=O)COc2ccc(F)cc2)nc1C 2905686 GVQRBBWCAIOKLZ-UHFFFAOYSA-N 324.333 2.395 0 50 DEAA COc1ccc(CNCc2ccc3c(c2)n(C)c(=O)n3C)cc1 4993769 IJSIMXFYANEECO-UHFFFAOYSA-N 311.385 2.175 0 50 DEAA O=C(NC1CCCC1)c1c(O)c2cccc3c2n(c1=O)CCC3 100613650 PFXHLGZOYMGSSV-UHFFFAOYSA-N 312.369 2.326 0 50 DEAA CCC[C@H](CC(=O)O)NC(=O)COc1ccccc1OCC 225522074 PJZRHSBPQCRMJX-GFCCVEGCSA-N 309.362 2.224 0 50 DEAA O=C(CN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)Nc1ccccc1 101509832 JFJAPHVYMWRABQ-OLZOCXBDSA-N 318.760 2.143 0 50 DEAA CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H]1COc2ccccc21 113182836 XZDDTQBYKFXIKT-HUUCEWRRSA-N 316.401 2.022 0 50 DEAA CC(=O)N1CCC(N2CCO[C@H](Cc3ccc(F)cc3)C2)CC1 23340517 OSHBQMZAWSGACG-GOSISDBHSA-N 320.408 2.080 0 50 DEAA Cc1c(Cl)cccc1NC(=O)CC(=O)N1CC[C@H](N(C)C)C1 55089795 XAURDIDTFFTYBH-LBPRGKRZSA-N 323.824 2.140 0 50 DEAA C[C@H](c1ccc(-c2cncc(C(N)=O)c2)cc1)N1CCOCC1 67894907 BAPSQHJMQVHBBK-CYBMUJFWSA-N 311.385 2.241 0 50 DEAA CCNc1nc(C)cc(NCCNC(=O)c2cccc(C)c2)n1 67614143 OZCRQMHNUWKAEU-UHFFFAOYSA-N 313.405 2.367 0 50 DEAA Cc1cc(CNC(=O)c2ccc(=O)n(C)n2)c2[nH]c(C)c(C)c2c1 65726272 HLJKREGHEZJHRQ-UHFFFAOYSA-N 324.384 2.117 0 50 DEAA CC(C)[C@@H](NC(=O)N1CCNC(C)(C)C1)c1nc(C2CC2)no1 331368215 BXOIYXBWINAFJV-GFCCVEGCSA-N 321.425 2.038 0 50 DEAA Cc1ccccc1CCC(=O)N(C)CC1(CO)CCOCC1 67856054 OFXQPRAEPIQYPR-UHFFFAOYSA-N 305.418 2.175 0 50 DEAA 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311.403 2.097 0 50 DEAA CN1CCC[C@@]2(CCCN2C(=O)Cc2ccc(F)c(F)c2)C1=O 2356169424 BJBHEJXQRLBJPH-QGZVFWFLSA-N 322.355 2.121 0 50 DEAA CC(C)CN1CCO[C@H](CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1 246155734 PTOPLXPIDFKVHK-MWDXBVQZSA-N 308.466 2.286 0 50 DEAA Cc1ccccc1CN1CCN(Cc2ccon2)C[C@H]1CCO 104357933 IFUSIFUGKJCGRF-GOSISDBHSA-N 315.417 2.052 0 50 DEAA COc1ccc(OC)c([C@@H]2CCN(c3cc(OC)ncn3)C2)c1 65429602 ZWFVSPMQXMAIAB-GFCCVEGCSA-N 315.373 2.496 0 50 DEAA CC(C)=CC(=O)NC[C@@H]1CCN(Cc2c(C)nn(C)c2Cl)C1 67974936 WSQRONDAFQDINW-ZDUSSCGKSA-N 324.856 2.286 0 50 DEAA Cc1cc(C[C@H](C)NC(=O)c2cc(=O)c3ccccc3o2)[nH]n1 67805235 VWCZOFGZBKJZNA-JTQLQIEISA-N 311.341 2.186 0 50 DEAA CC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 230113981 BSRWZHLYQMQZMB-HZPDHXFCSA-N 323.414 2.221 0 50 DEAA O=c1[nH]c(Cn2cc([C@@H]3CC=CCC3)nn2)nc2ccccc12 67490737 PBPWWRNATYLABX-GFCCVEGCSA-N 307.357 2.387 0 50 DEAA Cc1nnc([C@H]2COCCN2C(=O)[C@@H](C)c2ccsc2)o1 328613830 UHVOMQKKBCACRP-JOYOIKCWSA-N 307.375 2.143 0 50 DEAA C[C@H]1CN(c2nc(-c3ccccn3)nc3c2cnn3C)C[C@@H](C)O1 72164628 RRHAXKPQROSJIR-TXEJJXNPSA-N 324.388 2.039 0 50 DEAA COCC[C@H]1COCCN1C(=O)Nc1cc(C)c2c[nH]nc2c1 361697792 VJHSQJIWNCHKIW-ZDUSSCGKSA-N 318.377 2.141 0 50 DEAA Cc1n[nH]c(C)c1CC(=O)N1CCC(c2nccs2)CC1 253426182 MQSXYQQDJSNJGY-UHFFFAOYSA-N 304.419 2.432 0 50 DEAA Cc1cc(C)n([C@H](C)C(=O)Nc2cccc3c2OCC(=O)N3)n1 362286152 KQCVKUGLFOIBGO-LLVKDONJSA-N 314.345 2.031 0 50 DEAA Cc1ccc(OCc2ccc(C(=O)NCC(=O)O)o2)c(C)c1 237723039 FQKZSOYVQZRIDJ-UHFFFAOYSA-N 303.314 2.290 0 50 DEAA O=C(O)[C@H]1CCCN(C(=O)CCCOc2ccc(F)cc2)C1 237950906 HSNKNQYMIKPZFR-LBPRGKRZSA-N 309.337 2.308 0 50 DEAA CCN(CC)C(=O)[C@@H]1CCCN(c2cc(C)nc3ccnn23)C1 72409398 JHZSJFCJTCTMFX-CQSZACIVSA-N 315.421 2.123 0 50 DEAA C[C@@H]1C[C@H](NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)CCN1 262881756 NLMDJQUZKDKPAG-UNEWFSDZSA-N 318.417 2.115 0 50 DEAA CO[C@H](C(=O)NC[C@H](C(=O)O)c1ccccc1)c1ccccc1 239475399 AOBAYGWBUYYXCG-HOTGVXAUSA-N 313.353 2.359 0 50 DEAA CO[C@H](C(=O)NC[C@@H](C(=O)O)c1ccccc1)c1ccccc1 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2.343 0 50 DEAA CCn1nc(CCOC)nc1[C@@H](c1cccc(C)c1)N(C)C 96149283 CPWJEYACGPQWIU-MRXNPFEDSA-N 302.422 2.446 0 50 DEAA C[C@@H]1C[C@H](NC(=O)Cc2c(Cl)cccc2Cl)C(=O)O1 267829069 JRSOINIEGDKKCN-HQJQHLMTSA-N 302.157 2.356 0 50 DEAA O=C(Cc1ccccn1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91288605 PRLNLGHRNYNUHH-KRWDZBQOSA-N 310.397 2.208 0 50 DEAA CCNc1ncc(C(=O)N2CCC[C@@H]2c2nccs2)cn1 91656197 WSDUNFZKIHHRMJ-LLVKDONJSA-N 303.391 2.342 0 50 DEAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cccnc1 244723577 MDYWICSTCODZEX-SOLBZPMBSA-N 324.380 2.259 0 50 DEAA CC(C)c1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](CO)C2)cc1 621310367 RZEKNUDFAJCMIM-UKRRQHHQSA-N 311.447 2.449 0 50 DEAA CCc1ncc(CN2CC[C@@](C(=O)O)(c3ccccc3)C2)cn1 244626763 FSICRSRNWWQVHP-SFHVURJKSA-N 311.385 2.267 0 50 DEAA N[C@@H]1CCC[C@H](C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 299747624 DKZVVRJIPFRDOY-ZENOOKHLSA-N 324.371 2.382 0 50 DEAA Cc1ccccc1[C@H](O)CNC(=O)[C@H](C)[C@H](N)c1ccccc1 262647056 KHZWOFYXZDMANW-OLMNPRSZSA-N 312.413 2.481 0 50 DEAA COCC1(C(=O)NCc2nc(-c3ccc(F)cc3)no2)CCC1 299798797 SSYQDDJFQTYALX-UHFFFAOYSA-N 319.336 2.309 0 50 DEAA O=C(Cc1ccc(O)cc1)NC[C@@H]1CCN(C2CCCC2)C1 299756920 KCAIIUNXXUNBEV-HNNXBMFYSA-N 302.418 2.315 0 50 DEAA O=C(C[C@@H]1CCOC1)N1CCN(c2ccc(F)cc2F)CC1 584891132 UUECETYVJFBEQA-LBPRGKRZSA-N 310.344 2.040 0 50 DEAA Cc1nnc(CN2CCC[C@@]3(C2)C(=O)Nc2ccccc23)s1 670462184 RSLPHHLFOPHNKF-INIZCTEOSA-N 314.414 2.332 0 50 DEAA COc1ccc(/C=C/C(=O)N2CC[C@](C)(C(=O)O)C2)c(OC)c1 269051004 VLUCUEDNRPFQIY-UABRLCRWSA-N 319.357 2.040 0 50 DEAA Cc1cc(C(=O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)ns1 277985058 OWAOIUALQXUFRT-LLVKDONJSA-N 322.390 2.172 0 50 DEAA Cc1nn(C)cc1CN(CCN1CCOCC1)c1ccccc1 170608779 UYIBVLVXROJNKI-UHFFFAOYSA-N 314.433 2.067 0 50 DEAA CC[C@@H](C)c1cccc(NC(=O)N2CCC(O)(C(N)=O)CC2)c1 640374746 SDUADKMKTLEBET-GFCCVEGCSA-N 319.405 2.044 0 50 DEAA CCCC[C@H](CN)NC(=O)c1cccc(Nc2ncccn2)c1 646836311 OIMFYDFTMXXFEF-OAHLLOKOSA-N 313.405 2.468 0 50 DEAA Clc1ccc(O[C@H]2CCCN(CCC3OCCO3)C2)nc1 195565977 KKFPGYWHTYPAFN-ZDUSSCGKSA-N 312.797 2.341 0 50 DEAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ncoc3C(C)C)CCN21 1615953652 QGNROFHWNWAIPZ-KGLIPLIRSA-N 321.421 2.123 0 50 DEAA NCc1ccc2nc(C(=O)N3CC[C@H]4CCCC[C@H]4C3)cn2c1 1647551688 BFMVISVDOCTZEG-CABCVRRESA-N 312.417 2.445 0 50 DEAA CC(=O)N(C)c1ccc(NC(=O)CN2C[C@H]3CC[C@H]2C3)cc1 1506396801 WCTLMVYYCOYAKN-BBRMVZONSA-N 301.390 2.092 0 50 DEAA COc1cc(C(=O)NC[C@@](C)(O)CSC)ccc1Cl 135443748 MLQMDETTZWTCOV-CYBMUJFWSA-N 303.811 2.192 0 50 DEAA CCCCNC(=O)[C@H]1CNC[C@@H](COc2cccc(F)c2)C1 14745014 BSQXXUKWWNXQCH-UONOGXRCSA-N 308.397 2.347 0 50 DEAA CC(C)CN1CCC(n2cc(C(=O)NC3CCCC3)nn2)CC1 14961126 ORUDQGKCULVNPK-UHFFFAOYSA-N 319.453 2.243 0 50 DEAA O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)o1 18019498 GBOPEEFCTQNSFI-UHFFFAOYSA-N 322.118 2.464 0 50 DEAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1cnn2c(C)cc(C)nc12 1857680766 OLCWRTPVPSKLRZ-JZXOWHBKSA-N 314.433 2.472 0 50 DEAA CN1CCC[C@@H](n2ccnc2-c2cn(-c3ccccc3)nn2)C1 1857697119 WCGRDCIYIAHLKB-OAHLLOKOSA-N 308.389 2.398 0 50 DEAA CCc1nc(C)ccc1OCc1ccc(S(=O)(=O)N(C)C)o1 225585128 RHDWWYOONFTKDW-UHFFFAOYSA-N 324.402 2.375 0 50 DEAA Cc1cccn2c(CN[C@]3(CO)CCOc4ccccc43)cnc12 225649442 JMTCYQFKYXOQEL-IBGZPJMESA-N 323.396 2.403 0 50 DEAA CCCN1CCN(C(=O)c2cn(C)cn2)c2ccc(F)cc21 328595042 JEUUHDNOCSCQPV-UHFFFAOYSA-N 302.353 2.436 0 50 DEAA N[C@H](C(=O)N[C@@H]1CCc2cc(Cl)ccc21)C1CCOCC1 261926232 ZGVJANGUOLYJTB-CABCVRRESA-N 308.809 2.197 0 50 DEAA CC(C)n1cc(CN[C@H]2CCN(c3ncccc3Cl)C2)nn1 377380781 FBJAQUGEAXVEGZ-LBPRGKRZSA-N 320.828 2.276 0 50 DEAA Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1ccc(C(=O)O)cc1 263563900 DQIGDSHYSNGZAS-QGZVFWFLSA-N 324.380 2.366 0 50 DEAA COc1cc(O)ncc1C(=O)N1C[C@@H](C)Oc2ccccc21 932550184 SSDKPHLLHQIAFN-SNVBAGLBSA-N 300.314 2.224 0 50 DEAA O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1NCC12CCOCC2 852790742 AZAWWQIXVQJBNW-HNNXBMFYSA-N 313.357 2.049 0 50 DEAA CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@H]2CC(C)=NO2)CCO1 864095445 LXADKJYKNAKRSA-KFWWJZLASA-N 311.426 2.434 0 50 DEAA CCN(c1cccnc1)S(=O)(=O)C[C@@H]1CCC(C)(C)CO1 1875289774 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GZHYACXVYZVEJR-HNNXBMFYSA-N 304.390 2.136 0 50 DEAA CCOc1ccc(-c2noc(CN3CCC[C@H]3C(=O)O)n2)cc1 236875531 VYCZSTFGKKJJQN-ZDUSSCGKSA-N 317.345 2.184 0 50 DEAA Cc1cccc2c1OC[C@@H](NCc1cc(C(N)=O)cs1)C2 368011183 FWIPSWUXXPRRPM-ZDUSSCGKSA-N 302.399 2.249 0 50 DEAA C[C@@H]1CCN(C(=O)COCc2ccnn2C)c2c(O)cccc21 286203278 WJDRVAVVTCEAPY-GFCCVEGCSA-N 315.373 2.183 0 50 DEAA COc1cccc(N2C(=O)CN(Cc3cccnc3)C[C@H]2C)c1 59343245 RUUKERKPZNIALQ-CQSZACIVSA-N 311.385 2.328 0 50 DEAA CCN(CC)[C@@H]1CCN(c2ccc3nnc([C@@H]4C[C@@H]4C)n3n2)C1 450364862 ZHORFBKTKBUDIM-BFHYXJOUSA-N 314.437 2.168 0 50 DEAA COc1cccc([C@](C)(CC(=O)O)NC(=O)c2c[nH]cc2C)c1 263166632 KDZVAILROOREBT-KRWDZBQOSA-N 316.357 2.452 0 50 DEAA Cc1cccc2nc(N3CCO[C@@H](Cn4ccnn4)C3)sc12 606446188 SYUIOMONNNPRIE-GFCCVEGCSA-N 315.402 2.102 0 50 DEAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(CCc2ccncc2)C1 284941088 VGDGIPBLELCFQY-CABCVRRESA-N 313.405 2.082 0 50 DEAA CN(CCOc1ccccc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 245441223 VGHZFSOUWGMGCG-HZPDHXFCSA-N 311.447 2.353 0 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92065249 NSNXQKPSBMQGCS-GFCCVEGCSA-N 317.437 2.494 0 50 DEAA CCc1cc(CCN2CCCC2=O)nc(N2CCCCC2)n1 91779625 JIXVATMBIOXZRJ-UHFFFAOYSA-N 302.422 2.194 0 50 DEAA CC(C)Cc1cc(C(=O)NCC[C@@H](C)n2ccnc2)n(C)n1 91620196 WBYNBALQQLAPIY-CYBMUJFWSA-N 303.410 2.196 0 50 DEAA COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 244685547 ISDSLAVHEPKUHD-YZXKGSGOSA-N 323.348 2.031 0 50 DEAA Cn1cccc1C(=O)N[C@H](C(=O)O)c1ccc(Cl)c(F)c1 181894836 PTWTUJAIFJSWJK-LBPRGKRZSA-N 310.712 2.373 0 50 DEAA COCc1cccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 182456023 OCJMKJNPOYHMDZ-JKSUJKDBSA-N 311.447 2.278 0 50 DEAA CC[C@H](C)[C@@H](CO)NC(=O)c1cccc(Nc2ncccn2)c1 252479341 BDHDNRUAWHWWRX-SWLSCSKDSA-N 314.389 2.357 0 50 DEAA CN1CCCC[C@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 299744882 VFQKPPDNJGIKNA-ULQDDVLXSA-N 302.418 2.365 0 50 DEAA COc1coc(C(=O)N2CCc3c([nH]c4ccccc34)C2)cc1=O 369054426 KTIXEYVISUADHC-UHFFFAOYSA-N 324.336 2.328 0 50 DEAA biogenic O=C(O)c1ccc(F)c2c1CN(CCO[C@@H]1CC1(F)F)CC2 629367451 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C=CCn1cc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)cn1 75985080 OJNXJICSRWMWEB-DOMZBBRYSA-N 320.400 2.276 0 50 DEAA C[C@H]1CN(C(=O)NCCc2ccccc2)CC[C@]1(O)C1CC1 1565526151 AIIUADFWCXHYDY-KBXCAEBGSA-N 302.418 2.422 0 50 DEAA C[C@H]1c2ccccc2CCN1C(=O)Cn1c(=O)[nH]c2ccccc21 170951507 VTYOWRHCNCNBLK-ZDUSSCGKSA-N 321.380 2.476 0 50 DEAA CCOC(=O)c1cncc(-c2cncc(NCCOC)c2)c1 600790674 TYBWVGYNWQRINK-UHFFFAOYSA-N 301.346 2.379 0 50 DEAA C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CCCS(=O)(=O)C1 651346873 OAGCGWFMMIIKMI-BMFZPTHFSA-N 321.442 2.216 0 50 DEAA CC[C@H](C(=O)N[C@H](C(N)=O)C(C)(C)C)c1ccc(OC)cc1 195247321 YZNPLJQZYCDDET-UONOGXRCSA-N 306.406 2.205 0 50 DEAA CC(C)n1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2F)n1 678987970 VOWGYGJTEUKKCN-CYBMUJFWSA-N 305.309 2.159 0 50 DEAA Cn1nc(C2CC2)cc1CNC(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21 1615549162 VKSLGQLQBRRYHA-SRCQZFHVSA-N 316.449 2.082 0 50 DEAA Cc1ccc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)s1 1616079958 FLTNJNVLMOGDTI-KBPBESRZSA-N 302.399 2.439 0 50 DEAA Cn1ccnc1CCN1CCC[C@@H](OCc2cccnc2)C1 1506399099 JWBXMIAPISRDMR-MRXNPFEDSA-N 300.406 2.039 0 50 DEAA COc1ccc2[nH]c3c(c2c1)CN(CC[C@@H]1COCCO1)CC3 1800411743 MYROBGXBOAWLPT-CQSZACIVSA-N 316.401 2.340 0 50 DEAA OC[C@H](O)C1CCN(c2ccnc3cc(Cl)ccc23)CC1 1772818485 GMNLMZTWHKEIIE-INIZCTEOSA-N 306.793 2.458 0 50 DEAA CCOc1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1 5034629 SREVHKKTERHBSA-UHFFFAOYSA-N 309.329 2.313 0 50 DEAA O=C(COc1ccccc1)N1CCN(Cc2ccccc2)CC1 19773761 VIHRRLFJXZKRDQ-UHFFFAOYSA-N 310.397 2.410 0 50 DEAA Cc1c(Cl)c(C(=O)N[C@@H]2COc3ccc(F)cc3C2)nn1C 421906380 KXHJAFIIAGPFGW-NSHDSACASA-N 323.755 2.255 0 50 DEAA C[C@H](C(=O)N1CCN([C@@H]2CCN=C(O)CC2)CC1)C(C)(C)C 328597185 FISQJCFVGMDVID-KGLIPLIRSA-N 309.454 2.322 0 50 DEAA O=S1(=O)CCC[C@@H](NCc2cnc(C3CCCC3)s2)C1 329294904 SGCJEPKHIZHGEK-GFCCVEGCSA-N 314.476 2.468 0 50 DEAA Cc1ccccc1C1(C(=O)N2CCOC3(CNC3)C2)CCCC1 638437105 HZILASFSODAIGF-UHFFFAOYSA-N 314.429 2.008 0 50 DEAA C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cccc2ncccc12 237459753 HUKNBFBIFWFDSQ-WFASDCNBSA-N 319.430 2.125 0 50 DEAA C[C@H](CCS(C)(=O)=O)NC(=O)N1CCC[C@@H]1c1ccccc1 135303182 WFGXCMXQWLNXRR-UKRRQHHQSA-N 324.446 2.356 0 50 DEAA CCOc1ncccc1CNC(=O)c1snc(O)c1Cl 253405817 RBTFYOAMBLVSLP-UHFFFAOYSA-N 313.766 2.226 0 50 DEAA COc1ccccc1C1(C(=O)NCc2ccc(C(=O)O)o2)CC1 262189548 UFOCJYYDYQADLQ-UHFFFAOYSA-N 315.325 2.334 0 50 DEAA C[C@@H](NC(=O)c1noc2c1CCc1ccccc1-2)c1cn(C)nn1 830214488 ACHIECFAXAKWJW-SNVBAGLBSA-N 323.356 2.060 0 50 DEAA Cc1nc([C@@H]2COCCN2C(=O)Nc2cncc(Cl)c2)no1 932116045 FDGPQOLCBSZKCD-NSHDSACASA-N 323.740 2.032 0 50 DEAA CC(C)(C)OC(=O)[C@](C)(O)CNCc1c(Cl)ccnc1F 952995762 YCLSECPZCWJVPX-CQSZACIVSA-N 318.776 2.056 0 50 DEAA CN(C)c1nc(Cl)c(CN2CCC[C@@H](N(C)C)C2)s1 952963360 HVQOBEMTAOURRY-SNVBAGLBSA-N 302.875 2.389 0 50 DEAA Cc1ncccc1CNC(=O)N1CCCC[C@H]1CCC(=O)O 1875268372 FIBIRATWBHFNBU-AWEZNQCLSA-N 305.378 2.319 0 50 DEAA O=C(Nc1ccc(-c2cn[nH]c2)cc1)c1cnn2c1NCCC2 1875309320 HOWZRSYKCMTTRD-UHFFFAOYSA-N 308.345 2.341 0 50 DEAA CCOc1cc(CN(C=O)[C@H](C)CO)cc(Cl)c1OC 1875324837 CNTRSPCUBHITGL-SNVBAGLBSA-N 301.770 2.087 0 50 DEAA C[C@H]1C[C@@H](CO)CN(c2ncc(Br)cc2C#N)C1 398659136 DDYMSYWFNYNVMT-VHSXEESVSA-N 310.195 2.170 0 50 DEAA Cn1cc(C2CCN(C(=O)c3coc(CC4CC4)n3)CC2)cn1 2325702013 RSIFLCOUFVGJAE-UHFFFAOYSA-N 314.389 2.380 0 50 DEAA Cc1cnn2ccc(C(=O)N3CC[C@@H](CN)c4ccccc43)nc12 2325774765 QLFOEXNKKLGYRQ-ZDUSSCGKSA-N 321.384 2.131 0 50 DEAA O=C(NCc1cc2cnccc2[nH]1)[C@H]1CCc2ncccc2C1 2325794796 RPPAPTHODIISHE-ZDUSSCGKSA-N 306.369 2.379 0 50 DEAA CC[C@H](C)C(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O 2325811257 JATVOWCDBMOORD-GXTWGEPZSA-N 308.422 2.042 0 50 DEAA O=C(CCN1CCCCC1)NC[C@H]1OCCc2ccccc21 108693 QJPKKCKDEGBHGX-QGZVFWFLSA-N 302.418 2.293 0 50 DEAA O=S(=O)(c1cccc(NC2CCNCC2)c1)C(F)(F)F 154322 ROFHAFYHOWVRTC-UHFFFAOYSA-N 308.325 2.144 0 50 DEAA CCOC(=O)C1CCN(Cc2ccc(C(=O)OC)cc2)CC1 277385 SCDILUAZXZHHAK-UHFFFAOYSA-N 305.374 2.248 0 50 DEAA O=C(NC(=S)NCCSc1ccccc1)c1cccnc1 3771063 AYOSVLCQRFADEK-UHFFFAOYSA-N 317.439 2.478 0 50 DEAA CO[C@H]1CC[C@H](NC(=O)CCc2nc(-c3ccco3)no2)CC1 2356155262 DRFMLXDTSNVYJR-HAQNSBGRSA-N 319.361 2.336 0 50 DEAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)cc1C 6499499 IFBGVNZLNCYTAY-CQSZACIVSA-N 320.414 2.360 0 50 DEAA CC1CCC(NC(=O)[C@H](C)N2CCc3ccnc(O)c3C2)CC1 225421018 BRRZTWZJOFDVJP-OWYJLGKBSA-N 317.433 2.229 0 50 DEAA Cc1nnn(C23C[C@H]4C[C@@H](CC(N[C@@H]5CCSC5)(C4)C2)C3)n1 102663271 CJIQACGYCMPQKL-QJUBBFGZSA-N 319.478 2.125 0 50 DEAA NC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1 247752249 TYRSADQNGSLKKY-ARFHVFGLSA-N 312.344 2.272 0 50 DEAA Cc1cc(S(=O)(=O)NC2CCCC2)ccc1N1CCCC1=O 20486247 FWAXZAPLRIVYAX-UHFFFAOYSA-N 322.430 2.343 0 50 DEAA C[C@H]1CCCC[C@H]1NC(=O)c1cc2c([nH]c1=O)CCCC2=O 29606705 DQCHQXCPBYWVAR-GXFFZTMASA-N 302.374 2.202 0 50 DEAA C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](Cn2cncn2)C1 229478464 DCHVRUQOBOLNDY-VXGBXAGGSA-N 302.382 2.012 0 50 DEAA CC(=O)c1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 230113975 LJTBCKBVIMEDIW-CVEARBPZSA-N 323.414 2.221 0 50 DEAA 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313.313 2.460 0 50 DEAA Cc1c(Cl)cccc1NC(=O)CN1CCC2(CC1)OCCO2 14193223 HZJROLFARFSIRP-UHFFFAOYSA-N 324.808 2.426 0 50 DEAA CCOCC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 220405414 DAIPIJWZVGVQLV-RWKZGTHUSA-N 314.385 2.200 0 50 DEAA Cn1nncc1CNC(=O)N1CC(C)(C)C[C@H]1c1ccccc1 1365639613 PRFAXLKIAGKSFU-HNNXBMFYSA-N 313.405 2.498 0 50 DEAA Cc1cc(=O)[nH]c(CCNC(=O)c2c(F)ccc(C)c2Cl)n1 220398214 ZJMSDUXXTUELMB-UHFFFAOYSA-N 323.755 2.152 0 50 DEAA CC1(C)CN(C(=O)c2cccc3nnnn23)C[C@@H]1c1ccccc1 426436573 OMRJRBRDPKOALB-CQSZACIVSA-N 321.384 2.390 0 50 DEAA CC(C)c1noc(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)n1 426691350 VPSMUVKUNXMSAY-NSHDSACASA-N 318.381 2.005 0 50 DEAA CCn1ncnc1[C@@H](C)NC(=O)c1c(C)nc2ccc(C)cn12 426399178 HUDGHRQWTYZPOV-GFCCVEGCSA-N 312.377 2.054 0 50 DEAA COCCn1cncc1CNc1nc(C)nc2ccsc12 91907546 UTHKMRHDOFHHOT-UHFFFAOYSA-N 303.391 2.455 0 50 DEAA COc1cc(CN(C)CCN2CCCCC2=O)cc(OC)c1 97776207 ORIVSIOBBBUBAJ-UHFFFAOYSA-N 306.406 2.148 0 50 DEAA CC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 91656072 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317.345 2.124 0 50 DEAA CC(C)Cn1cncc1CNc1cc([C@H]2CCOC2)nc(N)n1 299776176 KSWWSFDTOIUMIT-LBPRGKRZSA-N 316.409 2.027 0 50 DEAA Cc1nnc(CN2CCC([C@@H](O)c3ccccn3)CC2)s1 299775407 CBVQRIQHHOHOFM-OAHLLOKOSA-N 304.419 2.187 0 50 DEAA CCCN1C[C@H](NC(=O)c2cccc3cc(C)oc23)CC1=O 670455418 JCRGJMCPFWFOJO-CYBMUJFWSA-N 300.358 2.482 0 50 DEAA CCN(c1cnn(C)c1)c1nnnn1[C@H](C)Cc1ccccc1 1332533468 QEDZYDGVPBCSRX-CYBMUJFWSA-N 311.393 2.368 0 50 DEAA Cc1cc(C)n(C[C@@H](C)NC(=O)/C=C/c2cc(CO)cs2)n1 952963932 LOJKOKHQPCOVBU-ZYOFXKKJSA-N 319.430 2.272 0 50 DEAA Cc1ccccc1[C@H]1CCCN1C[C@@H](O)CC1(O)CCOCC1 630034595 AYGVOGQJHLNBRR-FUHWJXTLSA-N 319.445 2.424 0 50 DEAA C[C@@H](NCc1cn(C[C@@H]2CCOC2)nn1)c1ccc(F)cc1F 631033216 XALYQYXIYMADQS-NEPJUHHUSA-N 322.359 2.444 0 50 DEAA Cc1cccc(CN(C)C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c1 275270754 JIAGJOXBBPVEJG-DLBZAZTESA-N 313.401 2.465 0 50 DEAA Cc1ccnc([C@H]2CCN(C(=O)N(C)C3CCOCC3)C2)c1 632534934 KDXBGBAPDMNWFQ-AWEZNQCLSA-N 303.406 2.410 0 50 DEAA CC(C)[C@H](N)C(=O)N[C@@H](C)c1cnn(Cc2ccccc2)c1 170593133 DHOUJBFXYYHDSP-BBRMVZONSA-N 300.406 2.092 0 50 DEAA C[C@@H](CN1CCN(Cc2nccn2C)CC1)c1ccc(F)cc1 170603011 VAGORBQNOMYVMK-HNNXBMFYSA-N 316.424 2.481 0 50 DEAA Cc1n[nH]c2ncc(NS(=O)(=O)CCc3cccs3)cc12 170609275 KGRLCJDTRAPAPW-UHFFFAOYSA-N 322.415 2.312 0 50 DEAA O=C(Nc1ccccc1C(=O)C1CCCC1)c1ccc(=O)[nH]n1 170650239 UHKHHSVFQWACHY-UHFFFAOYSA-N 311.341 2.395 0 50 DEAA Cc1ccc(S(=O)(=O)N2CCN(C)[C@@H](C)[C@@H]2C)cc1Cl 222098085 URCZZRJGRLVZQI-RYUDHWBXSA-N 316.854 2.362 0 50 DEAA CCN(C(=O)c1coc(C)c1)C1CN(C(=O)c2coc(C)c2)C1 280780561 NLUKCKIJTKSJJT-UHFFFAOYSA-N 316.357 2.476 0 50 DEAA O[C@@H]1CCCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 634636348 AWUTXEQRYUHONQ-CHWSQXEVSA-N 320.216 2.190 0 50 DEAA Cc1ccc(N2CCCN(c3nc4ccccc4n3C)CC2)nn1 192141725 KBIWTOUOPXYHDN-UHFFFAOYSA-N 322.416 2.388 0 50 DEAA Cc1nn(-c2ccccc2Cl)cc1CN1CC(=O)N[C@H](C)C1 656262539 NPUVTKYGDBSGHD-LLVKDONJSA-N 318.808 2.154 0 50 DEAA Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 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CCOC(=O)N1CCC(Nc2ncnc3ccc(C)nc23)CC1 1857714446 VAMSBYCCZXDVCN-UHFFFAOYSA-N 315.377 2.366 0 50 DEAA NC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2 126964 VPZYTLSYUXWBNC-UHFFFAOYSA-N 301.371 2.373 0 50 DEAA COc1ccnc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 225519537 PBRNOSNMRKFDDP-ZWNOBZJWSA-N 307.300 2.076 0 50 DEAA C[C@@H]1C[C@@H](N)CCN1C(=O)COc1cccc(C(F)(F)F)c1 237476308 VKVIJCKVHYZXQT-PWSUYJOCSA-N 316.323 2.422 0 50 DEAA CC(C)CN1C[C@@H](CN2CCCC2)C[C@@H](C(=O)N2CCCC2)C1 14537935 YXFXTSWBUUGFEX-QZTJIDSGSA-N 321.509 2.299 0 50 DEAA Cc1cc(C)n(-c2cncc(N[C@@H]3CCC[C@]3(C)C(=O)O)n2)n1 910442770 JKONUUXUIQCJNJ-WBMJQRKESA-N 315.377 2.334 0 50 DEAA COc1nn(C)cc1NC(=O)N[C@]1(C)CCOc2ccccc21 931050121 BRBLHRLMGTVHED-MRXNPFEDSA-N 316.361 2.248 0 50 DEAA COc1cccc(N2CC[C@@H](N[C@H]3C[C@@H]4OCCC[C@H]34)C2)c1 1875274936 CHJNWPMMFCLHHG-ZSGPHXLJSA-N 302.418 2.431 0 50 DEAA COc1ccccc1Cc1noc([C@H]2CCCC(=O)N2C)n1 1875284376 XNEUTZXYPQDEHH-GFCCVEGCSA-N 301.346 2.352 0 50 DEAA C=CC(=O)NC1(c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1875375308 YNTPUDHENLLULJ-UHFFFAOYSA-N 302.374 2.435 0 50 DEAA O=c1onc(Cc2ccc(F)cc2)n1Cc1ncccc1F 1875317770 DFXJNMUGFHVSCX-UHFFFAOYSA-N 303.268 2.149 0 50 DEAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)C3CC4(CC4)C3)nn(C)c21 1875404183 YKRFTGWOPZIISM-MNOVXSKESA-N 303.406 2.457 0 50 DEAA CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)C=C1CCCCC1)C2 888095212 RXUPOIHJAONISD-FPAYPSAMSA-N 320.477 2.473 0 50 DEAA Cc1nc(O)cc(N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)n1 891573140 LURVDKPZKBRRST-NSHDSACASA-N 310.361 2.269 0 50 DEAA Cc1nccn1CCCC(=O)N[C@]1(CO)CC2CCC1CC2 1775993169 CADVWGOBNMCQMS-DQPZFDDXSA-N 305.422 2.029 0 50 DEAA CC(C)(C)OC(=O)N1CC[C@@H](NCCn2cccn2)C1(C)C 496433712 KTUHPRJYYUTJDF-CYBMUJFWSA-N 308.426 2.261 0 50 DEAA Cc1nc(C(=O)NCc2cnc(Br)s2)c(C)o1 818026304 HQGRLAAHSKPMRA-UHFFFAOYSA-N 316.180 2.440 0 50 DEAA Cc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1 216520 KVTANZMSACMJTP-UHFFFAOYSA-N 319.382 2.271 0 50 DEAA Cc1nn(C(=O)c2c(Cl)cnn2C)c(C)c1Br 315616 RZFGLUSYZFJYEG-UHFFFAOYSA-N 317.574 2.338 0 50 DEAA CC(=O)N1CCCc2cc(S(=O)(=O)NC(C)(C)C)ccc21 429536 KNQLEKIJHHSDGV-UHFFFAOYSA-N 310.419 2.063 0 50 DEAA CCCN1Cc2nnc(-c3cccc(OC)c3)n2[C@H](C)C1=O 2356143131 WBYHDZRYLWESTR-LLVKDONJSA-N 300.362 2.267 0 50 DEAA CC[C@@H](C)NS(=O)(=O)c1cc(OC)c(Cl)cc1OC 6701227 HOAQGYORXVCXAE-MRVPVSSYSA-N 307.799 2.434 0 50 DEAA CCC[C@H](NC(=O)Nc1cc(F)c(OC)c(F)c1)C(=O)O 225565800 FYRRZXFGRAFJCM-JTQLQIEISA-N 302.277 2.348 0 50 DEAA CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 9879713 WHYHKPBLUNDSJD-UHFFFAOYSA-N 304.371 2.155 0 50 DEAA CCOC(=O)[C@H]1CCCN1C(=O)CSc1ccc(O)cc1 344910166 KBKOLVAHRCBKGV-CYBMUJFWSA-N 309.387 2.038 0 50 DEAA CCc1c[nH]nc1C1CCN(c2ccc(C(=O)O)cn2)CC1 67588643 AYLGCGBEYZCLRG-UHFFFAOYSA-N 300.362 2.449 0 50 DEAA CCO[C@@H](C)CN(C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 67804993 UPHSVJQPJVAAOU-NSHDSACASA-N 318.373 2.114 0 50 DEAA CCCN1C[C@H](CNC(=O)c2c[nH]c(C(F)(F)F)c2)CC1=O 421908461 CSYASZAPBUNLAH-VIFPVBQESA-N 317.311 2.022 0 50 DEAA C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N(C)C)C[C@@H](C)O1 229257275 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Cc1nc2n(c1C)CCN(C(=O)[C@H]1COc3ccccc3C1)C2 370943620 ZFFCQDXHCLWVQU-OAHLLOKOSA-N 311.385 2.093 0 50 DEAA O=C(O)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccccc2)o1 238067712 MNAUYLDTFXLETP-CYBMUJFWSA-N 314.341 2.350 0 50 DEAA c1ccc2c(c1)CCC21CCN(Cc2cc3n(n2)CCNC3)CC1 72160882 DBLUKRXLSRHCEZ-UHFFFAOYSA-N 322.456 2.466 0 50 DEAA COc1ccc2ncn(Cc3nc4ccccc4[nH]3)c(=O)c2c1 32603529 CNHDBSRPADDZLU-UHFFFAOYSA-N 306.325 2.330 0 50 DEAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 77354018 JFMSDVPHXKLDJW-ZDUSSCGKSA-N 315.348 2.294 0 50 DEAA Cn1cc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cn1 72351081 ACNSKXSRGPOANZ-UHFFFAOYSA-N 303.337 2.243 0 50 DEAA CC(C)N(C)c1ccccc1CNC(=O)N[C@H]1CC[C@@H](CO)C1 454828042 OAUUWUFBMKNLJH-ZBFHGGJFSA-N 319.449 2.491 0 50 DEAA COc1ccnc(CNC(=O)Cc2ccc(O)c(Cl)c2)c1 215486235 BIWXSFOZXFNWQI-UHFFFAOYSA-N 306.749 2.308 0 50 DEAA O=C(O)c1cnn(C2CCN(C(=O)C3[C@H]4CCCC[C@H]34)CC2)c1 263179041 LLWNYNDEWIFHOJ-KBPBESRZSA-N 317.389 2.181 0 50 DEAA Cc1cc(C(=O)N[C@@H]2CCCOCC2)cc(C)c1OCC(=O)O 263276985 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MLERDZGNLKOYNF-RYUDHWBXSA-N 322.355 2.124 0 50 DEAA Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C(C)(C)O)C1 721837804 LYNCYHYCORAOJY-LLVKDONJSA-N 317.838 2.430 0 50 DEAA COc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2ncccn2)cc1 583622083 KJXOGYNHZHNMAZ-SJLPKXTDSA-N 313.401 2.357 0 50 DEAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](C1)C2(F)F 585087190 IPJRSOQJGGFFBB-GMTAPVOTSA-N 316.348 2.109 0 50 DEAA CN(C)CCc1ccc(NC(=O)c2cncc3ncn(C)c23)cc1 585122203 QKQZROGXRKNPRR-UHFFFAOYSA-N 323.400 2.325 0 50 DEAA C/C(=C\CNC(=O)OC(C)(C)C)C(=O)NCc1nccs1 585101402 HTICSHBNRMDLBU-BJMVGYQFSA-N 311.407 2.230 0 50 DEAA c1ccc(N2CC[C@@H](NCc3nnnn3-c3ccccc3)C2)cc1 1506395732 LVFUTSYKUMHCNP-OAHLLOKOSA-N 320.400 2.031 0 50 DEAA Cn1c(C(=O)N2CCC[C@H]2C2(O)CC2)cc2cc(F)ccc21 1772811822 YAZKWBZHZQLLCD-HNNXBMFYSA-N 302.349 2.447 0 50 DEAA O=C(CSc1nncc(O)n1)Nc1ccc2ccccc2c1 5762776 JAUIUCZRUOUPJN-UHFFFAOYSA-N 312.354 2.461 0 50 DEAA COC(=O)[C@@H](Nc1nncc(-c2ccccc2F)n1)C(C)C 12595290 QLIOELDXOMKTMD-ZDUSSCGKSA-N 304.325 2.287 0 50 DEAA Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)nc1O 18220068 HNPHXNPVAWIGBE-UHFFFAOYSA-N 310.766 2.270 0 50 DEAA Cn1c(CCCNC(=O)[C@@]2(C)CCCO2)nc2ccccc21 155162614 VMIZLFKZEUFCLB-QGZVFWFLSA-N 301.390 2.191 0 50 DEAA COC(=O)C1(Cn2nc(-c3c(F)cccc3F)ccc2=O)CC1 600677095 BKMSQAJQQBZOME-UHFFFAOYSA-N 320.295 2.142 0 50 DEAA COc1ccc(C(C)C)cc1S(=O)(=O)NC[C@@H]1CCCO1 384680 CVFUECWPRYXDFA-ZDUSSCGKSA-N 313.419 2.276 0 50 DEAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCc2c(cccc2C(=O)O)C1 621580666 QBWXCOXKEKNEOM-JKSUJKDBSA-N 317.385 2.475 0 50 DEAA Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2cnn(C)c2)cc1 120112495 VEGNLHATDDJTOW-KBPBESRZSA-N 321.446 2.242 0 50 DEAA O=C([C@@H]1CCCOC1)N1CCN[C@@H](c2cccc(Cl)c2)C1 328586425 RHCNIQUBNCWINN-UKRRQHHQSA-N 308.809 2.240 0 50 DEAA CCc1cc(C)c(C(=O)N2CCN(CC)[C@H](c3ncc[nH]3)C2)o1 328626783 MCQZKFSSERPNEA-AWEZNQCLSA-N 316.405 2.393 0 50 DEAA CCOc1c(Cl)cc(C(=O)N2CCNC[C@@H]2C)cc1OC 126357913 BFHOCFIUZMMZDM-JTQLQIEISA-N 312.797 2.181 0 50 DEAA Cc1nnccc1C(=O)N1CCC[C@@H](NCc2ccccc2)C1 372232683 SZZDSJVUTFAYBO-MRXNPFEDSA-N 310.401 2.179 0 50 DEAA CC[C@@H](NC(=O)N1CCOCC(F)(F)C1)c1c(C)noc1C 378114770 RVGYIDDAIGWBLA-LLVKDONJSA-N 317.336 2.420 0 50 DEAA CCn1cc(CC(=O)N2CCc3c(Cl)cc(F)cc3C2)nn1 820974592 GMAAQMWBGDUZSM-UHFFFAOYSA-N 322.771 2.218 0 50 DEAA CN1CCN(C(=O)C2CCC(C(=O)O)CC2)c2ccc(F)cc21 833697475 LKZDMEKQYJIZJG-UHFFFAOYSA-N 320.364 2.500 0 50 DEAA COc1ccc(C(=O)O)cc1OCCNC(=O)OC(C)(C)C 1857779251 PUZJMHGASUBUJW-UHFFFAOYSA-N 311.334 2.297 0 50 DEAA O=C(NC[C@@H]1CCO[C@@H]1c1nc[nH]n1)c1cc(Cl)ccc1F 952888778 PIBKZUGVPXLBGI-UFBFGSQYSA-N 324.743 2.105 0 50 DEAA CCNc1cc(CNC(=O)NC[C@@H](O)C(CC)CC)ccn1 952992506 GWMDRKUJLNVMJN-CQSZACIVSA-N 308.426 2.110 0 50 DEAA O=C(N=c1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH][nH]1)c1ccn2nncc2c1 1875294832 OMTLCQCWNIRVMM-MJVIPROJSA-N 322.372 2.030 0 50 DEAA O=C(OCc1n[nH]c2c1COCC2)c1cc2ccc(F)cc2[nH]1 1875272691 OYXHDSUISFOCLN-UHFFFAOYSA-N 315.304 2.460 0 50 DEAA O=C(C1C2CCC1CC2)N1CCO[C@@H](c2nc(C3CC3)no2)C1 1875309208 YFVGIRKKPPGDEG-NYFJODQOSA-N 317.389 2.283 0 50 DEAA C[C@H](NC(=O)NCC[S@](=O)C(F)(F)F)c1ccccc1 888097452 KJKVCVXJFADULO-LXGOIASLSA-N 308.325 2.315 0 50 DEAA O=S(=O)(NC1CC(N2CCCCC2)C1)c1cccc(F)c1 1775992191 XYUOMDQGGOBPQF-UHFFFAOYSA-N 312.410 2.121 0 50 DEAA C[C@@H](NCC1(N(C)C)CCOCC1)c1cnc2sccn12 1775992405 RXYMPDIGRWXCAY-GFCCVEGCSA-N 308.451 2.157 0 50 DEAA Cc1c(Cl)cccc1C(=O)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961740 WKTDYLHRUJPZAY-MFKMUULPSA-N 320.780 2.417 0 50 DEAA Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)c(-c2ccnn2C)n1 1776006908 ZKUFJSRVAOKTKX-GHMZBOCLSA-N 311.345 2.156 0 50 DEAA CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 2325710612 HAKUIADTFNKBAX-CVEARBPZSA-N 312.369 2.187 0 50 DEAA COc1ccc(F)cc1CN1C[C@H](C(=O)O)OCC12CCC2 2325783404 WQIILBCPQOSPFH-CQSZACIVSA-N 309.337 2.042 0 50 DEAA C[C@@H]1[C@H](C(=O)NCc2ccc3cccnc3c2)[C@H](C(=O)O)[C@@H]1C 2325815741 OUWHDDCRZFMSND-KTQGLZRJSA-N 312.369 2.454 0 50 DEAA CCOc1ccc(C(=O)NC(=S)NCc2cccnc2)cc1 450595 FPQMWKLIZGKXSQ-UHFFFAOYSA-N 315.398 2.285 0 50 DEAA NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br 2511891 QEYFUGSQLUIFQY-UHFFFAOYSA-N 304.087 2.115 0 50 DEAA biogenic O=C(Nc1ccccc1C(=O)NCCO)c1ccccc1Cl 3055284 QDBJIGGRVRTJHZ-UHFFFAOYSA-N 318.760 2.314 0 50 DEAA COC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3C2)cc1 4512148 FQSMBTDJGGLLGJ-UHFFFAOYSA-N 317.366 2.178 0 50 DEAA COc1cccc(CN2CCN(c3ccccn3)CC2)c1OC 4977438 PTCYSEYCHLXODT-UHFFFAOYSA-N 313.401 2.421 0 50 DEAA Cc1cc(C)c(C(=O)N2CCN(c3ncccn3)CC2)c(C)c1 6725436 OASSLDOHJJIFHV-UHFFFAOYSA-N 310.401 2.364 0 50 DEAA CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 6745062 RJCCFSUHBVQSKS-AWEZNQCLSA-N 324.446 2.467 0 50 DEAA O=C(CN1CCC(OC2CCCC2)CC1)NCc1cccnc1 111210942 MKHZYSATHUWBAT-UHFFFAOYSA-N 317.433 2.121 0 50 DEAA Cc1[nH]c([C@@H]2CC(=O)N(C3CCCC3)C2)nc1-c1cnn(C)c1 20272114 OJPWDIPNNYYJEX-GFCCVEGCSA-N 313.405 2.377 0 50 DEAA CCCc1cnc(C)nc1NC(C)(C)CN1CCN(C)CC1 65395958 HVQPQOPYJNSULG-UHFFFAOYSA-N 305.470 2.175 0 50 DEAA O=S(=O)(c1ccccc1)C(F)(F)I 38879901 LIPDDCLPIKKOTB-UHFFFAOYSA-N 318.082 2.446 0 50 DEAA Cc1ccc(N2CCN(C(=O)CCCc3ccccc3)CC2)nn1 65361934 QPWFBFYQLSABIB-UHFFFAOYSA-N 324.428 2.457 0 50 DEAA CCc1cc(=O)c2cc(NC(=O)Nc3ccn(C)n3)ccc2[nH]1 121348446 HZFAAIKTYVXWFU-UHFFFAOYSA-N 311.345 2.468 0 50 DEAA C[C@H]1CN(C(=O)COc2ccc(Cl)c3cccnc23)CCN1 155036384 HZUMOTFUSAVNLE-NSHDSACASA-N 319.792 2.087 0 50 DEAA Cc1c(Cl)c(C(=O)NCCSC(F)(F)F)nn1C 216344949 CTCQFLFSYWFAAK-UHFFFAOYSA-N 301.721 2.365 0 50 DEAA CCCNC(=O)c1cccc(NC(=O)N2CCOC[C@H](C)C2)c1 363110668 DYWOCAMLYCTRRI-CYBMUJFWSA-N 319.405 2.327 0 50 DEAA CC(C)N1CCCC[C@H]1CCn1cnc2ncccc2c1=O 32593080 ZKGYDYUGAGXUCN-AWEZNQCLSA-N 300.406 2.445 0 50 DEAA C[C@H](NCc1cnc2n1CCCC2)c1ccc(-n2cnnn2)cc1 367436650 GVXSEZNWNVDNAG-ZDUSSCGKSA-N 323.404 2.046 0 50 DEAA CNc1nc(C(=O)NC[C@H]2OCCc3ccccc32)cs1 215480709 ZUMOAXFCVVEUEW-CYBMUJFWSA-N 303.387 2.229 0 50 DEAA CC(C)Cc1noc(-c2ccc(N3CCC(O)CC3)nc2)n1 72411708 YVRQBQBPZLJWBA-UHFFFAOYSA-N 302.378 2.291 0 50 DEAA C[C@H]1CN(C(=O)c2cc3c(F)cccc3[nH]2)CC[C@H]1C(=O)O 263147773 YXIJZZIJFXUGAV-VHSXEESVSA-N 304.321 2.490 0 50 DEAA O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC2(CCCO2)CC1 71439410 KYEPECYSCFUAFF-UHFFFAOYSA-N 312.369 2.313 0 50 DEAA C[C@H](O)[C@@H]1CCCCN1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 241316913 LWAILVDZLBLOEM-ZNMIVQPWSA-N 312.454 2.479 0 50 DEAA CCn1cccc(NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)c1=O 333940953 OPMLXJUQEPEYES-GFCCVEGCSA-N 307.394 2.336 0 50 DEAA CCO[C@@H]1C[C@](NC(=O)[C@H]2Cc3ccccc32)(C(=O)O)C1(C)C 262849033 WIDODNVLURNBDI-IYOUNJFTSA-N 317.385 2.101 0 50 DEAA CN1CCC(Oc2ccc(CNCc3ncc[nH]3)cc2)CC1 284152482 VURMBXDRCBMAHJ-UHFFFAOYSA-N 300.406 2.173 0 50 DEAA O=C(CCN1CCC[C@@H]1C(=O)O)N[C@@H]1CCCc2ccccc21 238097915 UTPVRYAYGLDDSD-HZPDHXFCSA-N 316.401 2.119 0 50 DEAA C[C@@H](C(=O)NC1CCN(CC(F)(F)F)CC1)c1cccnc1 174330032 OKROTCIFPHQQIM-LLVKDONJSA-N 315.339 2.328 0 50 DEAA O=C(COCc1ccccc1)N1CCC[C@H](c2ccncn2)C1 220564415 ITZVTISFSPIRES-INIZCTEOSA-N 311.385 2.399 0 50 DEAA Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)ccc1F 286209611 JMIPUUDUYUIKGG-FVQBIDKESA-N 307.365 2.136 0 50 DEAA CC(C)[C@@H](Oc1ccccc1)C(=O)NCCN1CCCOC1=O 426733978 HIZGHUOTYHCMAX-OAHLLOKOSA-N 320.389 2.049 0 50 DEAA O=C(O)c1cccc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1 135733742 KMMUTTCATNQTLO-WTTBSCSTSA-N 303.314 2.070 0 50 DEAA CN(CCCNc1cc([C@@H]2CCOC2)ncn1)C1CCCC1 426419762 LWFQJZGJFMLXLD-CQSZACIVSA-N 304.438 2.657 0 50 DEAA CCCOC[C@@H]1CCN(C(=O)c2ccc(C)n(CC)c2=O)C1 426635756 YVDAAAYFQKIGMH-CQSZACIVSA-N 306.406 2.065 0 50 DEAA COCCc1noc(-c2c[nH]nc2-c2cccc(OC)c2)n1 95388725 HLNSCFPVQMFWSU-UHFFFAOYSA-N 300.318 2.324 0 50 DEAA CN(C)[C@H](C(=O)NCc1ccc(CO)cc1)c1cccc(F)c1 95366118 QGEFUXNHRAHMNS-KRWDZBQOSA-N 316.376 2.237 0 50 DEAA CCCn1nc(C)c(CNC(=O)c2ccc3nccn3c2)c1C 91757002 CSURBJPJRFKQAS-UHFFFAOYSA-N 311.389 2.488 0 50 DEAA O=C(CCc1ccncc1)N(Cc1cocn1)Cc1cocn1 97679805 RSUQEYPKSBTKRL-UHFFFAOYSA-N 312.329 2.219 0 50 DEAA Fc1cccc2ccc(-c3nc(CN4CCOCC4)no3)nc12 96132764 RDXBEJVRMZOOOS-UHFFFAOYSA-N 314.320 2.256 0 50 DEAA Cc1ccc(-c2noc(CCn3cnc4ccccc43)n2)nn1 91519254 IRAUAIWSODMSBJ-UHFFFAOYSA-N 306.329 2.427 0 50 DEAA COCC1(CNC(=O)N(C)CCn2ccnc2C)CCCC1 534629985 QKIFKUOVZSRDIH-UHFFFAOYSA-N 308.426 2.040 0 50 DEAA O=C(COCC(F)(F)F)N[C@@H]1CCCC[C@@H]1n1cccn1 365776416 LRKRJGUGSUHOBB-MNOVXSKESA-N 305.300 2.062 0 50 DEAA Cc1cc(Cl)ccc1-n1ncnc1CCCN1CCOCC1 825512865 JNENYOREEAJDPA-UHFFFAOYSA-N 320.824 2.494 0 50 DEAA O=C(NCc1nc(Cc2ccccc2)no1)[C@H]1C[C@@H]2C=C[C@H]1C2 584889752 WQKGHTXRDHLQPJ-ILXRZTDVSA-N 309.369 2.489 0 50 DEAA CC1=NO[C@H](C(=O)N(C)Cc2nc3ccc(Cl)cc3[nH]2)C1 584890264 QNOAAZMRASLRMP-LBPRGKRZSA-N 306.753 2.340 0 50 DEAA COc1cccc([C@@H]2CCN(CCc3nccn3C)C2)c1OC 670446515 UYZCBZXTTFEMHN-CQSZACIVSA-N 315.417 2.469 0 50 DEAA Cc1ccccc1[C@H](C)N(C)C[C@@H](O)CC1(O)CCOCC1 630039921 ZKKCRMHUADQDMR-HOTGVXAUSA-N 307.434 2.280 0 50 DEAA O=C1CCCC2(CCN(C(=O)OCc3ccccc3)CC2)N1 91303114 JZZHPDJMZLKVPE-UHFFFAOYSA-N 302.374 2.458 0 50 DEAA in-vitro C[C@H](CN1CCCCCC1)NC[C@H](CO)Cc1ccccn1 170606838 ZFNCRHZJRVERTF-IAGOWNOFSA-N 305.466 2.087 0 50 DEAA O=C(CCc1cnccn1)N1CCC(OC2CCCC2)CC1 279653413 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CC[C@@H]1CN(C(=O)c2scnc2C2CC2)C[C@]2(CCOC2)O1 225441380 MLVRPHRWEAQFME-WBMJQRKESA-N 322.430 2.431 0 50 DEAA COc1ccc2cc(C(=O)N[C@@H]3C[C@H]4OCC[C@@H]34)n(C)c2c1 1074596852 YZJDEKBUGOZLDQ-WOSRLPQWSA-N 300.358 2.094 0 50 DEAA COc1ccc2nc(Nc3nc4c(c(=O)[nH]3)CCC4)nc(C)c2c1 9341271 CQWAFUUVZXVXIC-UHFFFAOYSA-N 323.356 2.262 0 50 DEAA O[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nccc(CCC(F)(F)F)n1 102390285 NWYIOIFHZQJDHF-GDNZZTSVSA-N 301.312 2.464 0 50 DEAA O=C(NCc1ccccc1)c1c(O)c2cccc3c2n(c1=O)CC3 100326538 XHGCCEYFFPZNHW-UHFFFAOYSA-N 320.348 2.193 0 50 DEAA biogenic Cc1noc(CCNC(=O)N(C)[C@@H]2CCc3ccccc3C2)n1 114593862 PNGTWJVKBZBZRU-OAHLLOKOSA-N 314.389 2.119 0 50 DEAA O=C1CC2(CCN(C(=O)CCc3cccc(Cl)c3)CC2)CN1 65497631 SVHAUCUPAUQDRL-UHFFFAOYSA-N 320.820 2.401 0 50 DEAA COCC1(C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)CCC1 65451836 RBPYCWJQTHCLEM-UHFFFAOYSA-N 321.392 2.452 0 50 DEAA Cc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)o1 85855 JKKNHOYMARTPDL-CQSZACIVSA-N 312.325 2.495 0 50 DEAA biogenic CN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCc2ccccn2)C1 229960543 OAFQSVRBGNFXKJ-DOTOQJQBSA-N 301.434 2.347 0 50 DEAA COC[C@@H]1CN(C(=O)c2ccc3oc(C)nc3c2)CC(C)(C)O1 284939272 DKXUUSHZXMKRCA-ZDUSSCGKSA-N 318.373 2.402 0 50 DEAA O=C(CS(=O)(=O)c1ccccc1)Nc1cc(F)cc(F)c1 4814551 HBJUPGZXNYSRBE-UHFFFAOYSA-N 311.309 2.377 0 50 DEAA COc1cccc2ncn(CC[C@@H]3CCCCN3C)c(=O)c12 32533045 QMHGFUZZWVXUCL-ZDUSSCGKSA-N 301.390 2.280 0 50 DEAA CCN1CCN(C(=O)c2cccc(C)c2F)C[C@H]1c1ncc[nH]1 328620949 HLTQVBHEPKLPGR-AWEZNQCLSA-N 316.380 2.376 0 50 DEAA C[C@H](C(=O)NCc1cccs1)N1CCC[C@H]1Cn1cccn1 253377809 YGARVWHMAVUFQU-KGLIPLIRSA-N 318.446 2.114 0 50 DEAA CC[C@@H](C)Oc1cc(C(=O)N2CCOC[C@H]2CCOC)ccn1 253427799 DDNQHVMLHKNGHW-UKRRQHHQSA-N 322.405 2.136 0 50 DEAA CCn1nccc1CN(CCO)C(=O)[C@H]1CCCCC1(F)F 451342250 MEGSUETVZWDENY-CYBMUJFWSA-N 315.364 2.049 0 50 DEAA CCCn1ccnc1CN(C)Cc1cccc(-c2nn[nH]n2)c1 215917415 WWHQRVVGYBGWKC-UHFFFAOYSA-N 311.393 2.105 0 50 DEAA Cc1cc2c(N3CC[C@@H](Oc4cccnc4C)C3)nccn2n1 365339827 ZERVGHOGKFZBRN-CQSZACIVSA-N 309.373 2.399 0 50 DEAA C[C@H](C1CCN(C(=O)CCc2ccco2)CC1)N1CCOCC1 72422995 FSQSYLANWHOMJU-OAHLLOKOSA-N 320.433 2.172 0 50 DEAA COc1c(C)cccc1C(=O)N1CCO[C@H](C(F)(F)F)C1 71747133 RFTKDPGBULRSIQ-NSHDSACASA-N 303.280 2.407 0 50 DEAA COc1ccccc1C[C@H](C)CC(=O)N1CCC[C@H]1C(=O)O 237248475 BRKHPFDCHMHKGZ-JSGCOSHPSA-N 305.374 2.340 0 50 DEAA Cc1nc(N2CC[C@@](O)(c3ccccc3)C2)c2c(C)nn(C)c2n1 72475498 QLPJCFAVIGVWCC-SFHVURJKSA-N 323.400 2.078 0 50 DEAA Cc1ccc(-n2ccc3c(c(C)nc4nc(C)nn43)c2=O)cc1 72446675 RPJXFDFXMAOAQT-UHFFFAOYSA-N 305.341 2.354 0 50 DEAA O=C(O)CCN(C(=O)c1ccc2c(c1)CCC2)C1CCOCC1 238078966 VJVFQSISUPUUOY-UHFFFAOYSA-N 317.385 2.271 0 50 DEAA Cc1cc(C(=O)N2C[C@@H](CO)C[C@H](CN3CCCC3)C2)c(C)o1 91518694 NXBZPMPMIGQGNU-CVEARBPZSA-N 320.433 2.063 0 50 DEAA CCCN(Cc1nccn1C)c1nc2c(s1)c(C)nn2C 95501512 VGMJFMQEQOWZFX-UHFFFAOYSA-N 304.423 2.488 0 50 DEAA Cn1ccc(CN2CCN(Cc3ccccc3)C(=O)C2(C)C)n1 295094080 JOSDGMPLHMDOQU-UHFFFAOYSA-N 312.417 2.043 0 50 DEAA CCC[C@@]1(CO)CCCN(C(=O)c2nnc3n2CCCCC3)C1 91943783 UBYUXCNQLUBXLB-QGZVFWFLSA-N 320.437 2.019 0 50 DEAA Cc1cc(C)nc(CNC(=O)[C@@H](c2ccccc2C)N(C)C)n1 95359843 CWRWPQNAHYGPBB-QGZVFWFLSA-N 312.417 2.321 0 50 DEAA O=C(CCn1cc(Cl)cn1)N1CCN(C2CCCC2)CC1 298829730 VIKQMYUWJBJYBM-UHFFFAOYSA-N 310.829 2.013 0 50 DEAA Cc1ncc2c(c1CNC(=O)c1cc3ccccc3[nH]1)CCNC2 299769781 QDRQBWRISUXPFB-UHFFFAOYSA-N 320.396 2.447 0 50 DEAA O=C(O)c1cc(=NC[C@H](O)C23CC4CC(CC(C4)C2)C3)cc[nH]1 584887200 WDBAHCRNRRLVIE-CYPWDGBBSA-N 316.401 2.191 0 50 DEAA CC(C)(C)n1nc(CC(N)=O)nc1CCCc1cccs1 670445336 QRMQMDHFIFNTMU-UHFFFAOYSA-N 306.435 2.298 0 50 DEAA O=C(O)[C@H]1CN(C(=O)NCCc2ccccc2F)C[C@@H]1C1CC1 1553420590 SNTDNKYNZLJIIP-KGLIPLIRSA-N 320.364 2.120 0 50 DEAA CC[C@@H]1C=CCN1S(=O)(=O)c1ccc2oc(=O)ccc2c1 952977943 AIQOXBGZGHBXGK-GFCCVEGCSA-N 305.355 2.132 0 50 DEAA CCOc1ccc2c(c1)[C@H](NS(=O)(=O)CCCF)CCO2 186651599 KGPHATIBVFYXRO-CYBMUJFWSA-N 317.382 2.188 0 50 DEAA CC(C)(CC(=O)Nc1cccc(Cn2cccn2)c1)C(=O)O 169987532 BXPPIHZGNYXGCA-UHFFFAOYSA-N 301.346 2.371 0 50 DEAA Cc1ccc(F)c(NC(=O)CCCCCCS(N)(=O)=O)c1 408517875 OIGKIRPCSIPSNI-UHFFFAOYSA-N 316.398 2.312 0 50 DEAA CCc1cc(C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)n(C)n1 635971718 YKKIOFCWOHZIFT-UHFFFAOYSA-N 324.388 2.339 0 50 DEAA C[C@H](Cc1ccc(Br)cc1)N[C@@]1(CO)CCOC1 188405745 CPQFJVKAAJYDRP-BXUZGUMPSA-N 314.223 2.121 0 50 DEAA C[C@@H]1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)[C@H](C(N)=O)C1 188548508 QAXYBVURIGZLIW-GYSYKLTISA-N 324.808 2.220 0 50 DEAA CC[C@H](NCc1ccc(Cl)cc1F)C(=O)N1CCOCC1 189376316 UBWHVXUSJPQVID-AWEZNQCLSA-N 314.788 2.206 0 50 DEAA c1ccc2cc(Cn3cc(CCN4CCOCC4)nn3)ccc2c1 640943030 HMWUUNMXLVTXPX-UHFFFAOYSA-N 322.412 2.354 0 50 DEAA C[C@H]1CN(CCN2CCC(C(=O)c3ccccc3)CC2)CCO1 191399975 QQRDYDVYXRSQQU-INIZCTEOSA-N 316.445 2.302 0 50 DEAA C[C@](O)(CN1Cc2ccccc2[C@@H](c2ccccc2)C1)C(=O)O 581315662 MOZZBPQJBMUDHY-MJGOQNOKSA-N 311.381 2.470 0 50 DEAA C[C@H]1CN(Cc2cc3ccccc3n2C)CCS(=O)(=O)C1 583651954 WQCSYBTXKODJBC-ZDUSSCGKSA-N 306.431 2.045 0 50 DEAA O=C1[C@H]2CCCN2C(=O)N1Cc1cscc1Br 585137061 GDDLJTMDSMDGPK-SECBINFHSA-N 315.192 2.437 0 50 DEAA COc1ccc(S(=O)(=O)N2CCC(=O)[C@@H]3CCC[C@@H]32)c(C)c1 585114662 QIISYBCSLPOBEE-KGLIPLIRSA-N 323.414 2.136 0 50 DEAA Nc1nnc([C@H]2CCCN(C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)C2)o1 585127849 LAXILEBRKZPKQN-CYDGBPFRSA-N 304.394 2.184 0 50 DEAA CCc1nc(C)cc(NC[C@@]23CNC[C@]2(C(F)(F)F)C3)n1 1615058799 RBXHXYKLGUNDTB-CHWSQXEVSA-N 300.328 2.301 0 50 DEAA O=C([C@H]1NCCOc2ccccc21)N1CCC2(CC1)CC2(F)F 1615553010 HZTSSKOKEOPCQJ-AWEZNQCLSA-N 322.355 2.358 0 50 DEAA CCNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 2872910 BIJPWQFADHSBOY-UHFFFAOYSA-N 310.400 2.299 0 50 DEAA C[C@H](c1ccccc1)n1nccc1NC(=O)CCn1cnnc1 1529181850 QLUAMCVTIUGREJ-CYBMUJFWSA-N 310.361 2.113 0 50 DEAA CN(C(=O)c1c[nH]c2ccccc12)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704345038 UHBZKIWRXGRBCC-FRRDWIJNSA-N 311.385 2.155 0 50 DEAA CC[C@H](Nc1ccc(C(=O)N(C)C)cn1)c1cn2cccnc2n1 1704336303 FRQNQBYGAMPTSK-ZDUSSCGKSA-N 324.388 2.389 0 50 DEAA C/C(Nc1cccc2ccccc12)=C1\C(=O)NC(=O)N(C)C1=O 1225827 WZUNPVLUFAJFBJ-UVTDQMKNSA-N 309.325 2.234 0 50 DEAA CCC(CC)(CNC(=O)c1nn(C)c(C)c1Cl)C(=O)O 263194482 LQUPORVNIJJJEO-UHFFFAOYSA-N 301.774 2.003 0 50 DEAA O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H](C2(O)CC2)C1 1772811862 ZPFNFSFCHDDWKO-LLVKDONJSA-N 314.307 2.478 0 50 DEAA CC(C)N(C)C[C@@H](C)C(=O)N1CCC(c2ccnc(O)c2)CC1 1772812478 JXEQTNLZFVWAGX-CQSZACIVSA-N 319.449 2.470 0 50 DEAA Cc1ccc(N2CCN(C[C@H]3CCC(=O)N(C)C3)CC2)c(C)c1 1772804891 DQQZTUZLRQJSRD-KRWDZBQOSA-N 315.461 2.294 0 50 DEAA O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cccs1 13165335 BHUPEHAAZPMBKQ-UHFFFAOYSA-N 316.382 2.473 0 50 DEAA COC(=O)c1ccc(CNC(=O)c2cc(C)ncc2OC)cc1 1857674419 HPJLKANTVBRCSD-UHFFFAOYSA-N 314.341 2.115 0 50 DEAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCC(Cn2cccn2)CC1 408474464 YOGDLRHVOIVILS-JKSUJKDBSA-N 305.422 2.327 0 50 DEAA COCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccccc1Cl 6658324 FOOHABSZVAISCF-SMDDNHRTSA-N 311.765 2.351 0 50 DEAA in-vitro COC[C@]1(C(=O)O)CCCN1C(=O)c1ccc(C(C)(C)C)cn1 643853655 GMMIQPSFLGCIKM-KRWDZBQOSA-N 320.389 2.085 0 50 DEAA CC[C@@H](NC(=O)CN1CCC[C@@H]1C(=O)O)c1ccc(Cl)cc1 236899541 FVLCSHFLZQOMBE-ZIAGYGMSSA-N 324.808 2.456 0 50 DEAA CN(C[C@H]1OCCc2ccccc21)C(=O)N[C@H]1CCCCNC1 333777345 DCXBZOXKVHJMLU-DOTOQJQBSA-N 317.433 2.084 0 50 DEAA C[C@H]1CO[C@H](C)CN1C(=O)N[C@H]1CCOc2ccc(F)cc21 246049735 XYPSRCYPLKOJHT-WDMOLILDSA-N 308.353 2.468 0 50 DEAA Cc1ccccc1[C@H]1CN(C(=O)c2ccc3nc[nH]c3n2)CCO1 363796518 OAXVXUXHEWEKSG-MRXNPFEDSA-N 322.368 2.480 0 50 DEAA Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]([C@H](C)N)C3)nc12 156356550 JURYWYYQMVVINL-UONOGXRCSA-N 314.433 2.390 0 50 DEAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(C2CC2)on1 261604990 CRWXKPBLJJEMFE-WXHSDQCUSA-N 304.346 2.410 0 50 DEAA Cc1cccc(Cn2cc(C(=O)N(C)C)nn2)c1Br 900607419 JWZDTIONFFMHKP-UHFFFAOYSA-N 323.194 2.099 0 50 DEAA N[C@]1(CO)CCc2cc(-c3cnn(C(F)(F)F)c3)ccc2C1 904867087 OMFHWYGRLVIHRW-CQSZACIVSA-N 311.307 2.205 0 50 DEAA CC(=O)N1CC(NC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)C1 1875270276 PINUVVXVZAMKHI-LBPRGKRZSA-N 303.406 2.401 0 50 DEAA O=C(CCc1ccoc1)N1CC[C@H](C2CC2)[C@@H]1c1nc(O)n[nH]1 1875401066 DRVSDQDSVIXFJI-TZMCWYRMSA-N 316.361 2.036 0 50 DEAA CC(=O)N1C[C@@H](NCc2cccnc2C)CC[C@H]1C(F)(F)F 886054698 KEKHTAUTKUEJHP-KBPBESRZSA-N 315.339 2.421 0 50 DEAA Cc1cc(CCCC(=O)NC[C@@H](O)c2cnc[nH]2)c(C)s1 1771885113 LUPRPQMQZIHYLK-CQSZACIVSA-N 307.419 2.261 0 50 DEAA COC(=O)[C@H](NC(=O)Cc1cc2ccccc2o1)C(F)(F)F 1181104988 MGVIWQUSOUFCBI-LBPRGKRZSA-N 315.247 2.195 0 50 DEAA NS(=O)(=O)CC[C@@H]1CCCCN1C(=O)CCC1CCCC1 1775999849 XEYGPKNPHQLORE-AWEZNQCLSA-N 316.467 2.017 0 50 DEAA CO[C@H](CC(C)C)CS(=O)(=O)N[C@H](C)C1(O)CCCCC1 2325782714 YKSQGZJWTDWZEC-ZIAGYGMSSA-N 321.483 2.051 0 50 DEAA Cc1ccc(C(=O)O)cc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 135752770 PXQIGKWTPGQAPX-DUBDDPSESA-N 317.341 2.379 0 50 DEAA CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1C 458163 UENZGXCKKIIDOR-AWEZNQCLSA-N 304.346 2.195 0 50 DEAA Cc1nsc(N2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)n1 2356159122 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CCCCN1CCC(NC(=O)[C@H]2CSCCS2)CC1 177277194 YZMAXITZYROSGP-CYBMUJFWSA-N 302.509 2.216 0 50 DEAA NNc1ccc(Br)cc1I 139858283 HEXDVMMONBYXNG-UHFFFAOYSA-N 312.936 2.339 0 50 DEAA COc1ccc(NC(=O)N2CCC(F)(F)CC2)cc1C(N)=O 426519015 UCFKSJCKJUTKBY-UHFFFAOYSA-N 313.304 2.057 0 50 DEAA COCCN1CCC(C(=O)N(C)Cc2cc(C)cc(C)n2)CC1 97775834 QZYNMFGFUKKQFX-UHFFFAOYSA-N 319.449 2.015 0 50 DEAA Cc1ccsc1CCNC(=O)c1ccc(-n2cnnc2)nc1 97823112 GSDSDPMBVKNEJL-UHFFFAOYSA-N 313.386 2.005 0 50 DEAA O=C(c1cccc2nccnc12)N1CCCC[C@H]1c1nnc[nH]1 294453350 SFSWOGUZZVZNPE-ZDUSSCGKSA-N 308.345 2.115 0 50 DEAA CC(C)N1CCC(C(=O)NCCCOc2cccnc2)CC1 95357517 JSYHRWQHLGKKJU-UHFFFAOYSA-N 305.422 2.087 0 50 DEAA COc1cc(C)ccc1OCCC(=O)N1CC[C@@H](N)C[C@H]1C 237108510 KCUBAKLOSTWGAT-ZIAGYGMSSA-N 306.406 2.111 0 50 DEAA CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1CCC[C@H]1N 237161472 SBNHAYJWHLTJLK-HZPDHXFCSA-N 301.434 2.373 0 50 DEAA CCSc1ncc(CN(C)CCN2CCCCC2=O)cn1 97785397 ASVCTAKPAVWCNR-UHFFFAOYSA-N 308.451 2.033 0 50 DEAA C[C@@H]1[C@@H](NC(=O)c2cc3n(n2)CCC3)CCN1Cc1ccccc1 295296334 JUZMKWIODYFGFN-PBHICJAKSA-N 324.428 2.222 0 50 DEAA CCc1cc(C(=O)NCCCc2ccc(F)cc2)cc(=O)[nH]1 97637972 PLPPNGQCPBQLJI-UHFFFAOYSA-N 302.349 2.439 0 50 DEAA Cc1ccccc1OC[C@@H](O)CN1C(=O)SC(C)(C)C1=O 267912078 ZWDISEOJMFVTKV-NSHDSACASA-N 309.387 2.209 0 50 DEAA Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N[C@H](C)C(=O)O 252501489 UGEIXKUIQYPYCN-SECBINFHSA-N 321.764 2.170 0 50 DEAA COc1ccc2cc(CN3CCN4CCC[C@H]4C3)c(O)nc2c1 253531382 DEOIBNPFKFDMEN-HNNXBMFYSA-N 313.401 2.229 0 50 DEAA COC(=O)N1CCCC[C@H]1C(=O)NCCCOC1CCCC1 534585979 YMGAINHIGYALSG-AWEZNQCLSA-N 312.410 2.073 0 50 DEAA Cc1cncnc1C1CCN(C(=O)[C@@H]2CCCCCN2C)CC1 299760769 JXSAGBPWCKCZDE-INIZCTEOSA-N 316.449 2.365 0 50 DEAA CCOc1ccc(CN2CC[C@H](CC(=O)NC)C2)cc1OC 670439945 OZDRJUXAUCXSKB-CQSZACIVSA-N 306.406 2.052 0 50 DEAA CCCN1C[C@H](NCc2c(Cl)cncc2Cl)CC1=O 952873212 IQLQZCZDVWCFFR-SECBINFHSA-N 302.205 2.489 0 50 DEAA CC(=O)N1CCC(CNc2nnc(-c3ccccn3)s2)CC1 185636488 AQLIWNJIPAAONB-UHFFFAOYSA-N 317.418 2.271 0 50 DEAA Cc1cnc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)nc1 270240662 QWTVAFOQKAJBGU-CQSZACIVSA-N 312.421 2.487 0 50 DEAA C[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)CCO1 271954696 FUHMKMNLFIPROS-DGCLKSJQSA-N 302.374 2.068 0 50 DEAA CS(=O)(=O)c1cc(-c2noc(C[C@@H]3C=CCC3)n2)ccn1 273873753 NZLRYOXWLRRGGT-SNVBAGLBSA-N 305.359 2.044 0 50 DEAA O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC[C@H](O)C1 170090654 RVCJTSTVBGAAIE-HOCLYGCPSA-N 303.402 2.012 0 50 DEAA O=S(=O)(c1c[nH]c2cccc(F)c12)N1CCOCC12CCC2 170620366 YQNMEZNWRHKVGI-UHFFFAOYSA-N 324.377 2.251 0 50 DEAA C[C@@H](N)[C@H]1CCN(C(=O)c2c(C(F)F)nc3ccccn23)C1 638155013 DAPGDUQYPIKPGI-ZJUUUORDSA-N 308.332 2.081 0 50 DEAA C[C@H](Cc1cccs1)NC(=O)[C@@H]1COCCN1C1CCCC1 188894862 LBBWAAXQRCWCBV-CJNGLKHVSA-N 322.474 2.439 0 50 DEAA Cc1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ncccn1 639841496 VZHAPKFIVRJLOB-HOTGVXAUSA-N 313.401 2.362 0 50 DEAA CC(C)N(CC1CCC1)C(=O)NCC1CCS(=O)(=O)CC1 194214846 OADRRJCRYMLJRQ-UHFFFAOYSA-N 316.467 2.031 0 50 DEAA CO[C@](C)(C(=O)N1CCC(CC(=O)O)CC1)c1ccccc1F 668268662 XJVYLXOOWAQOBN-KRWDZBQOSA-N 323.364 2.401 0 50 DEAA Cn1cnc(CCNC(=O)N[C@@H]2CCc3cc(F)ccc32)c1 582531695 SOPLKJAFNAMTFI-OAHLLOKOSA-N 302.353 2.088 0 50 DEAA CN(CCN1CCCCC1)Cc1nc(CC(F)(F)F)no1 585090116 SFGLHHZFGNEPPT-UHFFFAOYSA-N 306.332 2.092 0 50 DEAA Cc1cc(NS(=O)(=O)c2cn(C(C)C)cn2)c(Cl)nn1 585129791 WPYQLJVEZLDHDY-UHFFFAOYSA-N 315.786 2.017 0 50 DEAA CSC[C@@H](C)C(=O)N[C@@H](CO)c1csc(C(C)C)n1 585130602 WCMPNRYRUDFZSG-ZJUUUORDSA-N 302.465 2.415 0 50 DEAA CC(F)(F)C(=O)N1C[C@@H]2CC[C@]2(Nc2cncc(Cl)n2)C1 1615058395 YPARLGSAIPKHMZ-SDBXPKJASA-N 316.739 2.188 0 50 DEAA CCC[C@H]1COC[C@H]2CN(C(=O)Cc3cccs3)CCN12 1529190910 PBHYGNBIZUUYTQ-UONOGXRCSA-N 308.447 2.002 0 50 DEAA NC(=O)C[C@H]1CCCN(c2ncccc2Br)CC1 671439751 UQYGUPWBSHDRHV-JTQLQIEISA-N 312.211 2.326 0 50 DEAA Nc1c(N)c(Br)c2nsnc2c1Br 144579704 SFFHORYSGHXVGU-UHFFFAOYSA-N 324.001 2.381 0 50 DEAA CC[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(F)c(F)c1F 1772819794 TXTKFNHDSQOGNQ-IUCAKERBSA-N 323.336 2.028 0 50 DEAA COc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2N)cc1 11693030 UAGWGVASFXMIDM-UHFFFAOYSA-N 323.356 2.419 0 50 DEAA CC[C@@H](C(=O)Nc1ccccc1OC)n1c(C)cc(C)nc1=O 11903286 CSNBXVCZEXYPDJ-AWEZNQCLSA-N 315.373 2.459 0 50 DEAA CC(C)c1ccc(CN2CCC[C@@](O)(CNC3CC3)C2=O)cc1 14963896 GWRWJDVOIFWIKJ-LJQANCHMSA-N 316.445 2.416 0 50 DEAA Cc1nc(C[C@@H]2CCCN(C(=O)c3c(O)cccc3F)C2)no1 123201403 KADLURGOYZBRAX-NSHDSACASA-N 319.336 2.318 0 50 DEAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)CCn1ccnn1)[C@H]2C 332147776 RIQYLRKXYUJGHN-OLZOCXBDSA-N 314.389 2.211 0 50 DEAA O=C(O)C[C@H](NC(=O)c1ccnnc1)c1cccc(Cl)c1 776679765 XUNJOOILZIUTTD-LBPRGKRZSA-N 305.721 2.076 0 50 DEAA C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(Cl)cc1Cl 262640111 OQHDWVBNAZGRRM-ZCFIWIBFSA-N 312.174 2.087 0 50 DEAA COc1ccc(OC)c(COC[C@@H](O)CN2CCC[C@H](C)C2)c1 35052940 QTRBPWTVSGDPMB-HOCLYGCPSA-N 323.433 2.313 0 50 DEAA CN(C)c1ccccc1CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1 265910553 XMSYNOVPUSICNY-CABCVRRESA-N 310.463 2.198 0 50 DEAA COc1nccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)n1 933196526 GQELDCFXAXCTSQ-CYBMUJFWSA-N 315.348 2.329 0 50 DEAA c1coc([C@@H](CN[C@H]2[C@H]3OC[C@H]4C[C@@H]2C[C@@H]43)N2CCCC2)c1 863982412 IWCMSIWCVIYOCA-IRZXKLMXSA-N 302.418 2.430 0 50 DEAA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cc[nH]c2C)C3)o1 952851117 FZCOFSOVFPGIDT-LRDDRELGSA-N 300.362 2.208 0 50 DEAA O=C(NCCOCC(F)(F)F)c1oc2ccccc2c1CO 952990133 VJTYQFBMDLKDJC-UHFFFAOYSA-N 317.263 2.234 0 50 DEAA CC(C)[C@H](C(=O)O)C(=O)Nc1cccc(-c2cnn(C)c2)c1 1875277713 ZZYZATMHWYLBPD-AWEZNQCLSA-N 301.346 2.382 0 50 DEAA C[C@H](OC1CN(c2nc3ccccc3c(=N)[nH]2)C1)C(F)(F)F 1875272143 MEKVYGKIOVWIQV-QMMMGPOBSA-N 312.295 2.198 0 50 DEAA CNCCCCN(C)C(=O)c1ccc2c(C)cc(O)nc2c1 1875315071 HCHFNQRAGQLPFS-UHFFFAOYSA-N 301.390 2.320 0 50 DEAA CC(C)C[C@@H]1C[C@@](C)(C(=O)N[C@H]2C[C@@H](c3ncc[nH]3)C2)OC1=O 1875396720 SIYOXIQBKPBDNL-FJZAXULXSA-N 319.405 2.140 0 50 DEAA COc1ccc(F)c(CNC[C@H]2CCO[C@@H]2c2cn[nH]c2)c1 888078155 QHIHXACBQJZLLP-BZNIZROVSA-N 305.353 2.425 0 50 DEAA Cc1ccc(C(=O)NS(=O)(=O)C2(Br)CC2)s1 1775999362 SJTIGDDLZOYPQR-UHFFFAOYSA-N 324.221 2.001 0 50 DEAA COc1ccc(C2(C(=O)N3CCOCC3)CCCC2)cc1OC 141736 RPGKUECSBRJLAQ-UHFFFAOYSA-N 319.401 2.374 0 50 DEAA CC[C@@H](C)C(=O)C(=O)NC(C)(C)C(=O)NCC1CCCCC1 2325811350 RDQPHTNZPRNEQJ-GFCCVEGCSA-N 310.438 2.193 0 50 DEAA O=C(CSc1ccccn1)Nc1c[nH]nc1Br 2325864950 GSVSLSCSROOPPK-UHFFFAOYSA-N 313.180 2.298 0 50 DEAA Cc1ccc(C(=O)O)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 191445 GKIJHFZQSITLDG-RYUDHWBXSA-N 303.314 2.299 0 50 DEAA COC(=O)c1ccc(CN2CCC(CN(C)C)(OC)CC2)cc1 2356143137 WFSKZQFHWZIXNQ-UHFFFAOYSA-N 320.433 2.016 0 50 DEAA Cc1nc2ccc(C(=O)NCc3cccc4ncnn34)cc2o1 2356144123 KDNRRXCJRIHMKJ-UHFFFAOYSA-N 307.313 2.109 0 50 DEAA CCc1nc(O)ccc1C(=O)N(CCOC)Cc1nccs1 2356149701 RJVNVVLBVIGGPN-UHFFFAOYSA-N 321.402 2.095 0 50 DEAA CCCc1nc(C(=O)NCc2cccc3ncnn23)cs1 2356158164 DKGMXNGIORSANW-UHFFFAOYSA-N 301.375 2.068 0 50 DEAA CCN(Cn1nnc2ccccc21)Cn1nnc2ccccc21 4729732 XJIGWGCVPDLMEN-UHFFFAOYSA-N 307.361 2.113 0 50 DEAA COC[C@@H](C)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O 4998797 URNKKKQTRGLOKM-NEPJUHHUSA-N 324.808 2.470 0 50 DEAA COc1ccc(NC(=O)CNC(=O)c2cccs2)c(OC)c1 8777608 CZDYYFBGYWUXJC-UHFFFAOYSA-N 320.370 2.134 0 50 DEAA Cc1nnc(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)n1C1CC1 225515914 FQOSZWXZEIWTAR-HOTGVXAUSA-N 316.380 2.368 0 50 DEAA C[C@@H]1CN(C(=O)CCc2ccc(C(=O)O)cc2)CC(C)(C)O1 137136977 WDPACGBINMSIBQ-GFCCVEGCSA-N 305.374 2.343 0 50 DEAA OCC[C@@H]1CN(Cc2ccc(O)cc2)CCN1C1CCCC1 22926050 RWTZHPDEJBVZFX-QGZVFWFLSA-N 304.434 2.203 0 50 DEAA Cn1cnc2cc(C(=O)Nc3cccc4c3CNC4=O)ccc21 345589122 OCICPKSCEMAUKZ-UHFFFAOYSA-N 306.325 2.069 0 50 DEAA O=C(Nc1cnn(CC(F)(F)F)c1)N[C@H]1CC[C@@H](CO)CC1 135925471 HXDBQVZZIDRROA-MGCOHNPYSA-N 320.315 2.118 0 50 DEAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccncc1 249692767 MZPZXIBUFFKCDQ-DLBZAZTESA-N 301.434 2.490 0 50 DEAA O=C(O)[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 136521705 OWZAOHIVBWVBPW-CQSZACIVSA-N 317.320 2.091 0 50 DEAA Cc1cnc(C)c(N2CCN(CCCc3ccncc3)CC2)n1 20862231 XJZJFKWFTWQQOA-UHFFFAOYSA-N 311.433 2.243 0 50 DEAA CC(=O)N1CCCN(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 229859793 JUSBHXUCVHQLQD-IIDMSEBBSA-N 321.465 2.465 0 50 DEAA O=C1Nc2ccccc2S[C@@H]1Cc1nc([C@H]2CCOC2)no1 120352583 PVLSFCHRPNQWEZ-JOYOIKCWSA-N 317.370 2.229 0 50 DEAA COc1ccc(NC(=O)c2nnc(CCCC(=O)O)s2)cc1 34928811 YMBMMPBSKQTCEZ-UHFFFAOYSA-N 321.358 2.206 0 50 DEAA Cc1ccnc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)c1 172688795 YGETWSGSSUGPEB-HNNXBMFYSA-N 324.384 2.418 0 50 DEAA Cc1nnc([C@@H]2COCCN2C(=O)[C@@H](C)Cc2cccs2)o1 328611539 LYWZQWVCZIQWQM-GWCFXTLKSA-N 321.402 2.218 0 50 DEAA CCN(CC(=O)N1CCCCCC1)C(=O)c1ccc(C)nc1 331981873 LGBUXQYJHYSYBH-UHFFFAOYSA-N 303.406 2.255 0 50 DEAA Cc1ccc(N2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)CC2)cc1 34926356 HCMIPXKMTIFCNX-GJZGRUSLSA-N 316.401 2.000 0 50 DEAA O=C(Cc1ccncc1)N1CCN(c2ncccc2Cl)CC1 121389272 TXZMPUTVDMWCPL-UHFFFAOYSA-N 316.792 2.021 0 50 DEAA O=C1[C@H](Nc2ncc(Cl)cn2)CCN1Cc1ccc(F)cc1 253429125 GNHWUYRKUZGGMM-CYBMUJFWSA-N 320.755 2.482 0 50 DEAA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2occc2C)C1 330570008 MJBUTZXSPQXYGT-GHMZBOCLSA-N 318.295 2.260 0 50 DEAA COCc1nc2n(n1)C[C@@H](NCc1cccc3[nH]ccc13)CC2 151562169 XXWNGHYOCCUSIP-ZDUSSCGKSA-N 311.389 2.010 0 50 DEAA Cc1cccc([C@@H](NC(=O)NCCN(C)C)C(F)(F)F)c1 153103876 WPYMOOAHGBUQSK-GFCCVEGCSA-N 303.328 2.459 0 50 DEAA CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)CCc2ccco2)C1 366683991 ALKWMICYOWYVJM-OAHLLOKOSA-N 312.369 2.306 0 50 DEAA O=C(Cc1cc[nH]n1)N1CCC[C@@H]1CN1CCc2ccccc21 363578250 LLJUXWLPAGQRFN-MRXNPFEDSA-N 310.401 2.006 0 50 DEAA C[C@]1(C(=O)O)CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 237643570 SZBFTZUJYZRGMY-INIZCTEOSA-N 304.321 2.173 0 50 DEAA Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(C)(C)F)cc1 129389285 KQNUMMOQJVTTRL-LLVKDONJSA-N 301.383 2.022 0 50 DEAA O=C(O)[C@@H]1CCCCN1C(=O)CCc1nc(C2CCCC2)no1 238030914 WDKAQFKCCKMWDE-LBPRGKRZSA-N 321.377 2.126 0 50 DEAA Cc1noc(C)c1CN1CCCN(Cc2ccccn2)CC1 215838840 CTRNJWJIHDXYRN-UHFFFAOYSA-N 300.406 2.394 0 50 DEAA CC(C)Cc1nnc(CNC(=O)Nc2ccc3c(c2)OCO3)o1 239722292 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Cc1nc2c(c(=O)[nH]1)CN(C[C@@H]1CCOc3ccccc3C1)C2 95511760 WXXSBYVSBHYOGO-CYBMUJFWSA-N 311.385 2.035 0 50 DEAA O=C1NCCCN(C[C@@H]2CCC=CO2)[C@H]1Cc1ccccc1 293687525 QIGXQISMUBCCLC-IRXDYDNUSA-N 300.402 2.112 0 50 DEAA Nc1cc(N2CCC[C@H](COc3ccc(F)cc3)C2)ncn1 95527588 GECSRUSMHIFASP-LBPRGKRZSA-N 302.353 2.493 0 50 DEAA Cc1cccc(C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)c1C 298617288 UGEPYHJTXRGHAX-CQSZACIVSA-N 309.431 2.200 0 50 DEAA O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1cccc2c1OCO2 299746748 ZOFYDAFAOYVPBM-DZGCQCFKSA-N 312.325 2.070 0 50 DEAA COc1cc(CN(C)Cc2cscn2)ccc1OCC(=O)O 534633027 RLAGXZGKCJJIPC-UHFFFAOYSA-N 322.386 2.247 0 50 DEAA Cn1ncc2ncc(C(=O)NCCc3c[nH]c4ccccc34)cc21 1940193423 BUSZSIWXBNSCOR-UHFFFAOYSA-N 319.368 2.422 0 50 DEAA O=C(Nc1cccc(OC2CCCC2)c1)N1CCOC[C@H]1CO 299787213 VOUYLDMHCQHXBI-CQSZACIVSA-N 320.389 2.233 0 50 DEAA Cc1cc(C(=O)N2CCc3n[nH]c(C)c3C2)c2c(C)noc2n1 584893935 CORHKNMWXADCTA-UHFFFAOYSA-N 311.345 2.070 0 50 DEAA CCCO[C@@H](C)CNC(=O)N1CC(Oc2ccc(F)cc2)C1 584888151 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Cc1ccc([C@@H](C(=O)N2CCC(C)(C(=O)O)CC2)N(C)C)cc1 252501282 UDKFVTSKOREFLZ-HNNXBMFYSA-N 318.417 2.311 0 50 DEAA COC(=O)[C@@H]1SCc2ccc(Br)cc2C1=O 299805503 QSFRYTLRZNECJH-SNVBAGLBSA-N 301.161 2.420 0 50 DEAA O=C(NCC1CCN(Cc2ccoc2)CC1)c1cscn1 828210182 WZNVAZALQPAFID-UHFFFAOYSA-N 305.403 2.378 0 50 DEAA C[C@H](NC(=O)c1cccc(OCC(N)=O)c1)C1=CCCCC1 826838226 WNVCYUUCBMXHAQ-LBPRGKRZSA-N 302.374 2.169 0 50 DEAA C=CC(=O)N(C)CC(=O)N1CCC(C)(c2ccccc2)CC1 860384212 VVCFTDFLRDOFSN-UHFFFAOYSA-N 300.402 2.211 0 50 DEAA COc1ccc2c(c1)C[C@H](c1nc(C)nn1CC(C)(C)O)CO2 670468614 CHJVLSHVZPJXBS-ZDUSSCGKSA-N 317.389 2.085 0 50 DEAA O=C(c1ccc(Cl)cn1)N1CCOc2ccc(CO)cc2C1 670462919 NHDBJWWRFQWILF-UHFFFAOYSA-N 318.760 2.262 0 50 DEAA C=CC(=O)N(C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 860817659 ZNJKJAHZIJSDCK-ZDUSSCGKSA-N 300.402 2.387 0 50 DEAA CCN(C)[C@H]1CCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 952845717 JSRUVYHDQOZZLH-AWEZNQCLSA-N 312.417 2.378 0 50 DEAA O=C(OC1CCCC1)N1CCC[C@@](O)(C2(C(=O)O)CCC2)C1 952993811 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2.020 0 50 DEAA CCOC(=O)[C@H](Cc1ccncc1)NC(=O)CSC(C)(C)C 408514414 JXNSHTBXIKFCJL-ZDUSSCGKSA-N 324.446 2.204 0 50 DEAA Cc1cc(F)c(CC(=O)OC[C@@H]2CC(=O)N(C3CC3)C2)cc1F 585086960 HEFQAFLOZJYFNR-LLVKDONJSA-N 323.339 2.370 0 50 DEAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)C1C2CC3CC(C2)CC1C3 195479016 PCCOVGHVGKZWOO-BMAUUPCPSA-N 316.445 2.328 0 50 DEAA C[C@@H](c1nnnn1C1CC1)S(=O)(=O)c1ccc2c(c1)CCC2 195579489 CIXLZELVHMHAIG-JTQLQIEISA-N 318.402 2.032 0 50 DEAA Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1cnn(C)c1N 654372644 UOEJFTCEQBIHPZ-AWEZNQCLSA-N 302.353 2.427 0 50 DEAA Cc1cc(F)ccc1C(=O)NC[C@@H]1CCO[C@H]1c1cnn(C)c1 665651658 CLCYVTFPKUFECN-BLLLJJGKSA-N 317.364 2.375 0 50 DEAA Cc1ccnn1CCC(=O)Nc1cnn(Cc2ccccc2)c1 1529147028 SZONXVMJHSUXMR-UHFFFAOYSA-N 309.373 2.465 0 50 DEAA CCN(CCN1CCOCC1)c1ccc2cccc(OC)c2n1 1529158617 GNEKSBMEQCHMFB-UHFFFAOYSA-N 315.417 2.402 0 50 DEAA CCO[C@H](C)C(=O)N1CCC2(CC1)C[C@@H](N)c1ccccc1O2 1616039488 OFHZSBCGYDZRFI-UKRRQHHQSA-N 318.417 2.255 0 50 DEAA COCCC(=O)N[C@H]1CCCN(CCCc2ccccc2)C1 11842107 UJCVWMZMZXYXMK-KRWDZBQOSA-N 304.434 2.236 0 50 DEAA COCCNC(=O)c1cccc(NC(=O)Cc2ccccc2)c1 12138570 BPHOGWOSBJJOEA-UHFFFAOYSA-N 312.369 2.244 0 50 DEAA CN(Cc1nccn1C)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 19952517 YOCGGXLGQOIZPZ-GOSISDBHSA-N 324.472 2.484 0 50 DEAA C[C@@H](c1ccc(-c2nccn2Cc2nc(O)n[nH]2)cc1)N(C)C 1857679881 ZCJNBMHFAJSYLR-NSHDSACASA-N 312.377 2.045 0 50 DEAA CC(C)(C)c1ccccc1C(=O)N1CCO[C@H](CC(=O)O)C1 236748171 ROQVYRXQHOISKF-GFCCVEGCSA-N 305.374 2.300 0 50 DEAA C[C@H](C(=O)Nc1ccc2c(c1)oc(=O)n2C)C1CCOCC1 130075936 BAPAPYNABJENNZ-JTQLQIEISA-N 304.346 2.133 0 50 DEAA CS(=O)(=O)[C@@H]1CCN(C(=O)NCCC2=CCCCCC2)C1 242178789 XAXGZGQPWZOFTC-CQSZACIVSA-N 314.451 2.096 0 50 DEAA C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)C[C@@H](C)N1 153545280 AEMMLUAJOLOHEF-OKILXGFUSA-N 320.408 2.083 0 50 DEAA COc1cccc(Cl)c1CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 364667856 UQKYEZXJOMIPBI-INIZCTEOSA-N 324.808 2.223 0 50 DEAA Cc1cc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2[nH]c1=O 585086246 WEIHSSRCYPXOMV-GFCCVEGCSA-N 320.414 2.400 0 50 DEAA O=C(NCc1ccncc1C(F)(F)F)N1CCSCC1 585115129 NQBCMZCQVLTODM-UHFFFAOYSA-N 305.325 2.359 0 50 DEAA C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)c1ccccn1 265419982 QBVTZSBLIYQHDG-HNNXBMFYSA-N 317.433 2.294 0 50 DEAA O=C(O)c1cccnc1CN1CCC[C@@H](C2CCOCC2)C1 903936259 RDBYBRHUBXJJTK-CQSZACIVSA-N 304.390 2.418 0 50 DEAA C[C@H](Cc1ccc(NC(=O)[C@@H]2CCCCN2C)cc1)C(=O)O 909520659 DJYHVEBTRPXWFP-DOMZBBRYSA-N 304.390 2.373 0 50 DEAA CCN1CCCC[C@@H]1CNCc1cn(Cc2ccccc2)nn1 2325764473 WHLQTAXIMPTTRA-GOSISDBHSA-N 313.449 2.290 0 50 DEAA O[C@]1(CNCc2ccn3nccc3c2)CCOc2ccccc21 2325802905 DTTMSWJIRGKOOU-SFHVURJKSA-N 309.369 2.094 0 50 DEAA CC[C@@H](NC(=O)c1nnc2c(F)cccc2c1O)[C@@H]1CCOC1 2325805006 ITUOZQFYZZLOKA-BXKDBHETSA-N 319.336 2.019 0 50 DEAA CN(CCc1ccccc1)C(=O)C1(c2nn[nH]n2)CCCCC1 2325806917 ODLSZAHDSRDPOO-UHFFFAOYSA-N 313.405 2.103 0 50 DEAA C[C@@H](NC(=O)c1cnc2ncccn12)c1ccc2nc[nH]c2c1 2325875800 CBTBAJCKJIVAGN-SNVBAGLBSA-N 306.329 2.097 0 50 DEAA Cc1cc2sc(C)[n+](CCCOS(=O)(=O)O)c2cc1C 1711784 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CCN(Cc1noc(CC(C)C)n1)Cc1ncccc1C(=O)O 65387412 GSDUTKKEOGONNT-UHFFFAOYSA-N 318.377 2.383 0 50 DEAA CC(C)Cc1cc(CNC(=O)Cc2ccc3c(c2)OCO3)on1 67723411 CDUHRVNSSACDST-UHFFFAOYSA-N 316.357 2.461 0 50 DEAA CCc1cc(O)nc(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)n1 281635306 IGYHTJMCYGMIHM-CABCVRRESA-N 317.364 2.192 0 50 DEAA COCCCn1c(C)nnc1-c1cnn(-c2ccccc2)c1N 2513367 IHYMWNKIPGOZDC-UHFFFAOYSA-N 312.377 2.058 0 50 DEAA O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2ccccc12 34268531 KMCTXIYLPLOFAA-ZDUSSCGKSA-N 305.355 2.078 0 50 DEAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2c[nH]nc2C)n1C 328655841 YUPGCSUUHDVQKL-OAHLLOKOSA-N 315.421 2.143 0 50 DEAA Cc1ccc(CCCC(=O)N2CC[C@](C)(NCC(=O)O)C2)s1 328656887 ZTAUVODXBMXCBV-INIZCTEOSA-N 324.446 2.044 0 50 DEAA CCc1cc(-c2nccn2Cc2cccc(-c3nnn[nH]3)c2)on1 77436807 JWGJMNNBTAQUEE-UHFFFAOYSA-N 321.344 2.329 0 50 DEAA C[C@H](Nc1cc(N[C@H](C)[C@H]2CCCO2)ncn1)[C@H]1CCCO1 253370207 NVPULYKGDSWTSO-XJFOESAGSA-N 306.410 2.435 0 50 DEAA C[C@@H]1Cc2cccc3c(=O)c(C(=O)NCc4ccncc4)cn1c23 33089080 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311.385 2.497 0 50 DEAA COc1ccc(O[C@H](C)CNC(=O)N[C@H]2CCO[C@@H](C)C2)cc1 271215899 FBAHASYVQFPOAK-MJBXVCDLSA-N 322.405 2.329 0 50 DEAA C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ncc2n1CCCC2 633021344 ZLBWKNVFEVAJDM-ONGXEEELSA-N 317.311 2.011 0 50 DEAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1Nc1ncc(Cl)cn1 275228287 ALMHFMWDQWYQSO-AAEUAGOBSA-N 307.785 2.422 0 50 DEAA NC(=O)[C@@]1(c2ccccc2)CCN(Cc2cccc3c2OCO3)C1 585116700 GDKOAUZTYWADOJ-IBGZPJMESA-N 324.380 2.044 0 50 DEAA CC(C)c1cnc(N2CC[C@@H](O)[C@@](CC3CC3)(C(=O)O)C2)nc1 1704338400 TYDHZGAOKDNRIU-PBHICJAKSA-N 319.405 2.042 0 50 DEAA CCO[C@H](C(=O)N1CCC(CN)(c2ccccc2)CC1)C1CC1 1615555881 ZHVLZFACKAZNLN-KRWDZBQOSA-N 316.445 2.321 0 50 DEAA CCC[C@@H]1COC[C@@H]2CN(C(=O)Cc3cccs3)CCN21 1615736865 PBHYGNBIZUUYTQ-KGLIPLIRSA-N 308.447 2.002 0 50 DEAA O=C(O)[C@H](c1ccccc1)N1CCN(C[C@H]2C[C@@H]3C[C@@H]3C2)CC1 1616035804 HOVIZXQWMYEJPF-RANZSIQMSA-N 314.429 2.476 0 50 DEAA COCCn1ccnc1-c1nccn1-c1cccc2c1CCO2 1772813305 WQNBZCZOADYAKB-UHFFFAOYSA-N 310.357 2.317 0 50 DEAA 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2.299 0 50 DEAA C[C@H]1OCCN(Cc2cn3cc(Cl)ccc3n2)[C@@H]1C(=N)O 332237052 OAJAMNKASMIFRZ-RNCFNFMXSA-N 308.769 2.112 0 50 DEAA CO[C@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)c1ccccc1 237166335 MHJZCKCQNDZTOK-CJNGLKHVSA-N 305.374 2.478 0 50 DEAA CN(CC(=O)O)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 237155644 MVMWAJPSPOCCPD-UWVGGRQHSA-N 301.264 2.352 0 50 DEAA Cn1cc(-c2ccccc2)c(NC(=O)NC[C@H]2CCCO2)n1 252506648 WBYZPRKMMQNLBT-CYBMUJFWSA-N 300.362 2.388 0 50 DEAA O=C(NCc1coc2ccccc12)c1cn(-c2cccnc2)nn1 1273732008 CDFTUDHRSHAIBS-UHFFFAOYSA-N 319.324 2.339 0 50 DEAA Cn1c(CCN)nnc1SCc1cccc(Cl)c1F 426389552 ZYGNFVACPKWUNW-UHFFFAOYSA-N 300.790 2.401 0 50 DEAA CS(=O)(=O)C[C@H]1C[C@H](NCc2ccc3ncccc3c2)C1 2325787319 SLQHXOVLOVDFDV-CTYIDZIISA-N 304.415 2.148 0 50 DEAA COCC1(COC)CCN1C(=O)c1ccc2c(c1)[C@@H](C)CO2 2325813539 WUFOJZGWZNUCEW-LBPRGKRZSA-N 305.374 2.060 0 50 DEAA COc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 319360 CXULAZJHCKXBIF-UHFFFAOYSA-N 321.354 2.267 0 50 DEAA O=C(Nc1ccc(I)cc1)[C@@H]1CCCO1 461711 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303.410 2.007 0 50 DEAA COc1ccsc1C(=O)N(C)C[C@H]1CCc2nccn2C1 328616803 CBQGDEGJAILWHG-LLVKDONJSA-N 305.403 2.288 0 50 DEAA O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@H]1Cc2ccccc2O1 215092985 GBTHVBWSXPNISK-OAHLLOKOSA-N 320.352 2.092 0 50 DEAA O=C(N[C@H]1CCN(c2ccccn2)C1)N1CCc2ccccc21 159874583 OCRQTSNNZHLVMW-HNNXBMFYSA-N 308.385 2.433 0 50 DEAA N=C(O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C1CN(C2CCCCC2)C1 333106057 FPZFVGDWGUWJIP-KCXAZCMYSA-N 319.449 2.413 0 50 DEAA Cc1cc(OCC(=O)O)ccc1NC(=O)c1c(C)noc1C 262527812 OAGJXNWYQIYCGF-UHFFFAOYSA-N 304.302 2.316 0 50 DEAA CC[C@@H](NC(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccncc1 173499958 AAMXHWRBJBOEMO-GDBMZVCRSA-N 313.405 2.465 0 50 DEAA CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc(C(=O)O)nc2)C1(C)C 237159751 FSIYLKJHNLWRTC-LRDDRELGSA-N 306.362 2.055 0 50 DEAA CC(=O)N[C@H]1CCN(Cc2cnn(-c3ccccc3Cl)c2)C1 216506338 OGJHEXGHMMYGFR-AWEZNQCLSA-N 318.808 2.236 0 50 DEAA CN1CCCC12CCN(C(=O)c1coc3c1C(=O)CCC3)CC2 333599311 UVGNVDFQJDSQJT-UHFFFAOYSA-N 316.401 2.499 0 50 DEAA 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DEAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1ccc2c[nH]nc2n1 1775983934 WDODVADEKBAJPW-UHFFFAOYSA-N 324.388 2.222 0 50 DEAA O=S1(=O)N=C(N(CCCO)c2ccccc2)c2ccccc21 5338351 YCERHASHNFQYDH-UHFFFAOYSA-N 316.382 2.025 0 50 DEAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1F 5752549 KQZRZVKDBFBKIF-OAHLLOKOSA-N 301.317 2.340 0 50 DEAA CC(C)CCC[C@@H]1CN(C(=O)CN2CCCCC2=O)CCO1 12578452 UAJRZGWMJGNMOE-OAHLLOKOSA-N 310.438 2.053 0 50 DEAA COc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1 16577928 DPOXTVPBVYODFE-UHFFFAOYSA-N 316.382 2.146 0 50 DEAA O=C(O)c1cc(S(=O)(=O)Nc2cccc(F)c2)cs1 16622057 KJYWPKTZSMILNA-UHFFFAOYSA-N 301.320 2.386 0 50 DEAA O=C(NCCn1ccc2ccccc21)[C@H]1CCn2nccc2C1 1857715174 FSVOVVHXPCGAEF-HNNXBMFYSA-N 308.385 2.217 0 50 DEAA NC(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 116238 HBTAEUXSAIIIDG-UHFFFAOYSA-N 304.733 2.456 0 50 DEAA O=C(N[C@@H](CO)Cc1cncs1)[C@H]1CCCc2ccccc21 913698689 IITSDNQDOFTUAY-CJNGLKHVSA-N 316.426 2.283 0 50 DEAA Cn1cc(Cl)c(CNC[C@@H]2CCCO[C@H]2c2ccnn2C)n1 657481313 NRFIHMBWMKJONI-XHDPSFHLSA-N 323.828 2.065 0 50 DEAA C[C@@H]1CC[C@@H](CCC(=O)N(C)C[C@H]2CCc3nccn3C2)O1 328618551 DVOSVNXLNDAEQO-KFWWJZLASA-N 305.422 2.252 0 50 DEAA Cc1cc(S(=O)(=O)N2CC[C@H](N)C[C@@H]2C)c(Cl)cc1F 237535419 PXTNEVFOVWOADF-UWVGGRQHSA-N 320.817 2.288 0 50 DEAA CCC1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2)C1 457278978 OVBDWZWKXCHNBW-MRXNPFEDSA-N 316.401 2.168 0 50 DEAA CC[C@H](O)CN1CCN(c2ncc(C(F)(F)F)s2)CC1 252494074 NKHHUISYLXZNDZ-VIFPVBQESA-N 309.357 2.055 0 50 DEAA Cc1noc(C2CCN(C(=O)c3ccc(O)cc3F)CC2)n1 154631482 IHOVGYCPOFDTJO-UHFFFAOYSA-N 305.309 2.243 0 50 DEAA COc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)O)o2)cc1OC 262218785 QREYAZVVUSRZAV-SECBINFHSA-N 319.313 2.486 0 50 DEAA Nc1cccc(CC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)c1 262365479 WVFLSYQOQZAPAD-CFVMTHIKSA-N 302.374 2.056 0 50 DEAA CC(C)CC(=O)N[C@@H](C(=O)NOCC1CC1)c1ccccc1 817362576 NCTWWZZUIGRYRY-MRXNPFEDSA-N 304.390 2.348 0 50 DEAA CC(C)(C)[S@](C)(=O)=NC(=O)c1ccc(Cn2ccnn2)cc1 904217394 CNRSGQFVKXJSFK-QFIPXVFZSA-N 320.418 2.363 0 50 DEAA CN1CCOc2ccc(C(=O)Nc3ccnn3CC3CC3)cc21 807081462 YUZQQNKMORUHHD-UHFFFAOYSA-N 312.373 2.374 0 50 DEAA OC[C@H]1CCN(Cc2cc(F)c(Cl)cc2Cl)C[C@@H]1O 1232698891 SJNPZVPFDBFXFV-OQPBUACISA-N 308.180 2.308 0 50 DEAA O[C@@H]1CNC[C@H]1N(Cc1ccccc1)Cc1ncccc1Cl 923559869 LMMDJMSYDXWECC-IAGOWNOFSA-N 317.820 2.070 0 50 DEAA COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@H](C)c1ccccn1 826181813 OPYPHHKHUZUZTO-GFCCVEGCSA-N 324.388 2.463 0 50 DEAA CCOc1nnc(CN2CCC[C@@H](Cc3nc(C)no3)C2)s1 933579704 LXHZTCPXUDYESH-NSHDSACASA-N 323.422 2.083 0 50 DEAA Cc1oc(Br)cc1C(=O)N1CCCC[C@@H]1C(=O)O 396565623 VOYVRBINZJZVAQ-SECBINFHSA-N 316.151 2.430 0 50 DEAA COc1ccc2c(c1)CC[C@@H]([C@]1(O)C(=O)Nc3ccccc31)C2=O 70111 SAQPNKARGABGFN-BEFAXECRSA-N 323.348 2.280 0 50 DEAA CC1=C(CNC(=O)Nc2cccc3c2COC3=O)SCCO1 2325803627 REQPYGQXMMPZGD-UHFFFAOYSA-N 320.370 2.473 0 50 DEAA NC(=O)C1CCC2(CC1)CC(NC(=O)C(=O)C1CCCCC1)C2 2325811254 IWGVPVQOYHPYAM-UHFFFAOYSA-N 320.433 2.076 0 50 DEAA CCOC(=O)c1sc(Nc2nc(OC)cc(OC)n2)nc1C 310710 NLCOZUIOJPYJNR-UHFFFAOYSA-N 324.362 2.179 0 50 DEAA CCOCCN1CCN(C(=O)Nc2ccc(C)cn2)C[C@H]1CC 133560934 LRGGJMZWSNKTEK-OAHLLOKOSA-N 320.437 2.355 0 50 DEAA O=C(O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 12297074 KAWOUENTKWFZLX-INIZCTEOSA-N 322.320 2.276 0 50 DEAA biogenic CC(C)OC1CC(N[C@@H](c2nccn2C)C2CCOCC2)C1 344508292 GBIJZDYRMQZLPB-UYSNPLJNSA-N 307.438 2.433 0 50 DEAA OCCCCN1CCN(C[C@@H]2CCc3ccccc3C2)CC1 23095228 SJVALVJEKQFIIB-QGZVFWFLSA-N 302.462 2.182 0 50 DEAA O=C1Nc2cc(Br)c(Br)cc2C1=O 28641784 BHIYOAMJNNOSLP-UHFFFAOYSA-N 304.925 2.346 0 50 DEAA O=C([C@@H]1C[C@@H]1c1cccnc1)N1CCCC[C@H]1Cn1cccn1 247958421 WKCQCXRBJIEOIH-GVDBMIGSSA-N 310.401 2.463 0 50 DEAA COCc1cn(C[C@@H]2CCCN(Cc3ccsc3)C2)nn1 20654170 WOPBAJFQLAQZGY-CYBMUJFWSA-N 306.435 2.398 0 50 DEAA CC(=O)Nc1ccc(-c2cn([C@H](C)Cc3cnccn3)nn2)cc1 67587498 QFSUMXCKMPOCBX-GFCCVEGCSA-N 322.372 2.497 0 50 DEAA CCC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@@H]1c1ccc(OC)cc1 20386078 VLFNEQHOBNSSAI-ZWKOTPCHSA-N 313.401 2.439 0 50 DEAA COCC1(C(=O)NCc2ccc(N3CCCC3=O)cc2)CCC1 65408488 LAFRXMUVVBQEJJ-UHFFFAOYSA-N 316.401 2.246 0 50 DEAA CC(=O)c1cccc(NC(=O)N2CC[C@]3(CCCNC3)C2)c1 67833417 KDLJLHIONIEFSW-KRWDZBQOSA-N 301.390 2.497 0 50 DEAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C(=O)O)C1 252515783 NKFBHZIZMGFKHD-KWCYVHTRSA-N 303.358 2.122 0 50 DEAA C[C@@H](C(=O)N1CCO[C@H](c2ccccc2)C1)N1CCSCC1 151318526 BUXIBCQSKIAMMQ-HOCLYGCPSA-N 320.458 2.024 0 50 DEAA C[C@@H](NC(=O)N1CCC[C@@H](N2CCCC2)CC1)C1CCOCC1 151168971 IBIDEPZWONXIAB-NVXWUHKLSA-N 323.481 2.461 0 50 DEAA Cn1cnnc1[C@@H]1CN(CCc2c(F)cccc2Cl)CCO1 328649341 UZROSJPKFZGRRW-AWEZNQCLSA-N 324.787 2.224 0 50 DEAA CCOCCn1nc(C)cc1C(=O)N(C)[C@H](C)c1ccccn1 219385814 KMRWIMNJTGJSHC-CQSZACIVSA-N 316.405 2.456 0 50 DEAA CNc1nccnc1-c1ccccc1S(=O)(=O)NC(C)(C)C 215497369 OARFJIQPUUTZKI-UHFFFAOYSA-N 320.418 2.262 0 50 DEAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)COCCc1ccccc1 257365625 ANOQXKMFQZDERR-ZWKOTPCHSA-N 316.445 2.331 0 50 DEAA O=C(CCNC1CCC2(CCNCC2)CC1)Nc1nccs1 71278849 HFRXUHKFVQMFMF-UHFFFAOYSA-N 322.478 2.374 0 50 DEAA COc1ccccc1OCCNC(=O)C[C@@H]1CCCCN1C 215246937 CDQVYVFMCJANDE-AWEZNQCLSA-N 306.406 2.065 0 50 DEAA Cc1cc2c(c(=O)o1)[C@@H](c1ccc(C(=O)O)cc1)CC(=O)O2 217956574 CNQAMSYKSMCPKJ-LLVKDONJSA-N 300.266 2.087 0 50 DEAA biogenic O=C(/C=C/c1ccncn1)N1CCC([C@@H]2CCCOC2)CC1 370151935 XNYXIPZUPRWCMV-NHZBNJEXSA-N 301.390 2.155 0 50 DEAA O=C(NCCc1noc(C2CCC2)n1)c1nc2ccccc2[nH]1 215438687 DDFPMHWJTSUEGX-UHFFFAOYSA-N 311.345 2.186 0 50 DEAA COc1ccccc1-n1nccc1CN1CC[C@H]2CC[C@@H](C1)N2 262044176 YQSFUDAEACRLDH-CABCVRRESA-N 312.417 2.207 0 50 DEAA Cc1ccnc(CNC(=O)N2CC[C@H](C3CCOCC3)C2)c1 332264644 BQKMTNRAHRKOQW-HNNXBMFYSA-N 303.406 2.348 0 50 DEAA COC(=O)c1cc(N2CC[C@H](c3ccc(F)cc3)C2)ncn1 77385545 BNHYMXDAWWXERT-LBPRGKRZSA-N 301.321 2.396 0 50 DEAA CC1(C)CN(C(=O)CNC(=O)C2CCCCC2)[C@H]1[C@@H]1CCCO1 332906057 ZHBVOBFEHGCSCL-HOCLYGCPSA-N 322.449 2.099 0 50 DEAA COc1ccc(CNCC2(O)CCOCC2)c(OC(C)C)c1 237334713 UVDREEAJKCVXBD-UHFFFAOYSA-N 309.406 2.114 0 50 DEAA CCc1cnc(NC(=O)N2CCN(C3CCOCC3)CC2)s1 175972534 XGBHXNFISXCPKP-UHFFFAOYSA-N 324.450 2.034 0 50 DEAA Cc1ccccc1CN(CCO)C(=O)c1cc(C(C)C)nn1C 82087362 PJRJCOCTQDJYPU-UHFFFAOYSA-N 315.417 2.487 0 50 DEAA COc1cc(F)c(NC(=O)N(C)C[C@@H](C)C(=O)O)cc1OC 263460630 DKYGCQOUFKGYPL-MRVPVSSYSA-N 314.313 2.027 0 50 DEAA Cc1nn(CC(=O)NCCCc2ccncc2)c(C)c1Cl 222849993 NOIDMEFPMFZNON-UHFFFAOYSA-N 306.797 2.297 0 50 DEAA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccncc1Cl)C2 221287434 SJPLPQGXBZIXQL-AWEZNQCLSA-N 320.780 2.031 0 50 DEAA Cc1cc2occ(CC(=O)NCc3nc(O)n[nH]3)c2cc1Cl 426530384 HISJYTNXMSMTGH-UHFFFAOYSA-N 320.736 2.077 0 50 DEAA Cc1c(S(=O)(=O)N2CCc3cc(Cl)ccc32)cnn1C 292362555 QLXKAWMYDMGJGL-UHFFFAOYSA-N 311.794 2.133 0 50 DEAA CC(C)(C)n1nc([C@H]2CCOC2)nc1CCc1cc(O)no1 97499645 JAENSVNEOMDZSO-JTQLQIEISA-N 306.366 2.016 0 50 DEAA N[C@H]1CC[C@H](C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1 237887432 SFOMPQMTKMIVHO-JSGCOSHPSA-N 306.381 2.323 0 50 DEAA CN(C)[C@H](CNC(=O)c1cn2ccsc2n1)c1ccco1 97711783 ZUNBOUWNIKLBRG-LLVKDONJSA-N 304.375 2.022 0 50 DEAA Cc1cc(C[C@H](C)NC(=O)Nc2ccc3c(c2)OCCO3)[nH]n1 97681867 UHSNJELITXCUOC-JTQLQIEISA-N 316.361 2.242 0 50 DEAA O=C(NCCCN1CCOCC1)c1ccc([C@H]2CCCO2)s1 92066005 JEXKCBSIYBKGJO-CYBMUJFWSA-N 324.446 2.052 0 50 DEAA Cc1ccsc1CN(C(=O)CN1CC[C@H](N(C)C)C1)C1CC1 244735038 NRZZTFHBRMNXQK-HNNXBMFYSA-N 321.490 2.183 0 50 DEAA O=C(O)c1ccc(CCC(=O)N2CCO[C@H]3CCC[C@@H]32)cc1 299741829 GKXMKQGXYOXMKM-GJZGRUSLSA-N 303.358 2.097 0 50 DEAA CC[C@H](C)[C@H](CO)NC(=O)c1cn[nH]c1-c1ccc(OC)cc1 252483548 FEJNTBRTQBCVBW-NHYWBVRUSA-N 317.389 2.222 0 50 DEAA O=C(CCC(=O)N1CCCCCC1)NCC[C@@H]1CCCOC1 534577184 BZDWTKAKBJJZBK-HNNXBMFYSA-N 310.438 2.102 0 50 DEAA CC[S@](=O)[C@H]1CCC[C@H](NC(=O)CCc2nccs2)C1 267583483 FPNHILQSWOLADC-PVUDRZGPSA-N 314.476 2.272 0 50 DEAA COc1ccc(CNC(=O)COC[C@@H]2CCCCO2)cc1F 299784854 NBVHUBLZRAUSES-ZDUSSCGKSA-N 311.353 2.036 0 50 DEAA CCCn1cc(C(=O)N2CCc3n[nH]c(CC)c3C2)c(C)n1 584885387 ULQYAJMYFNFRSN-UHFFFAOYSA-N 301.394 2.086 0 50 DEAA COC(=O)C1CCN(C(=O)N2CC(Cc3ccccc3)C2)CC1 1875297849 FYYNWAKLIHAHJA-UHFFFAOYSA-N 316.401 2.166 0 50 DEAA CCCCCC[C@H](C)c1noc(Cn2ccc(O)nc2=O)n1 1875291218 RMSCTALWCYNQAQ-NSHDSACASA-N 306.366 2.454 0 50 DEAA CS(=O)(=O)NC(=O)CCOc1ccccc1-c1ccccc1 1875390886 IXSSEIOZXNHHES-UHFFFAOYSA-N 319.382 2.198 0 50 DEAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc[nH]c2nccc1-2 1875342143 ZKIQTSCRTBADHT-HNNXBMFYSA-N 321.336 2.166 0 50 DEAA C=CC(=O)N(Cc1cn(C)nc1C)c1ccc2c(c1)OCCO2 1875375436 BULPBLSJLSPAEA-UHFFFAOYSA-N 313.357 2.219 0 50 DEAA CSc1nnc(-c2noc([C@H]3CCCc4cncn43)n2)s1 1875317799 FLFOKBUKZVQUTC-MRVPVSSYSA-N 320.403 2.432 0 50 DEAA Cc1noc([C@H]2OCC[C@H]2CNC(=O)C2C(C)(C)C2(C)C)n1 886085643 YEFRLFKGOXZQJT-QWRGUYRKSA-N 307.394 2.254 0 50 DEAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2nc(C3CC3)no2)C1 888102926 VNFBJZVGMLNWSE-OLZOCXBDSA-N 317.393 2.249 0 50 DEAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1scnc1C 1565517043 HVGUIATYWSBTDY-STQMWFEESA-N 310.419 2.322 0 50 DEAA Cc1nc(S(=O)(=O)NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)sc1C 408496321 KCTZGDFHBGYYHI-URLYPYJESA-N 314.432 2.001 0 50 DEAA O=C(NCc1ccco1)N[C@H]1CCCO[C@@H]1c1ccncc1 276356266 RNLYLTPTKZWIGI-LSDHHAIUSA-N 301.346 2.394 0 50 DEAA CC(=O)c1ccc(S(C)(=O)=O)c(N2C[C@@H]3[C@@H](C2)C3(C)C)c1 170593878 PPPVRLYLPONWFD-CHWSQXEVSA-N 307.415 2.385 0 50 DEAA Cc1c(/C=C/C(=O)N2CCCCC[C@H]2c2ncon2)cnn1C 170605221 XWQPYHOJOUDJGE-NPQIQWPPSA-N 315.377 2.269 0 50 DEAA O=C(Nc1ccc(F)cn1)c1ccccc1N1CCOCC1 171179488 ZUBFDMMCJMNQJQ-UHFFFAOYSA-N 301.321 2.310 0 50 DEAA COCC[C@@H](CN1CCC=C(F)C1)NC(=O)OC(C)(C)C 583651231 JEZTYQAUQGXMCL-ZDUSSCGKSA-N 302.390 2.475 0 50 DEAA CN(C)c1ncccc1NS(=O)(=O)Cc1ccccc1F 187733014 ZTMOGOHKCAWANV-UHFFFAOYSA-N 309.366 2.229 0 50 DEAA Cn1ccnc1CC1CCN(C(=O)[C@@H](O)C2CCCCC2)CC1 188590085 PZSPRMKYCCCHGS-KRWDZBQOSA-N 319.449 2.142 0 50 DEAA COc1cccc([C@@H](OC)c2noc(Cn3ccnc3)n2)c1 665063179 LFSJFYWFBQIQAR-CQSZACIVSA-N 300.318 2.059 0 50 DEAA O=C(O)CCCN1CCN(c2ncc(Cl)cc2Cl)CC1 116358763 KJBPPVOADFMDNK-UHFFFAOYSA-N 318.204 2.375 0 50 DEAA CCCc1cc(C(=O)NCc2ccc3oc(N)nc3c2)no1 1615549986 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CCC[C@@]1(CO)CN(C(=O)c2cc(C)ccc2C)CC[C@H]1O 1857718918 ZTQDDFAGFLTUJB-AEFFLSMTSA-N 305.418 2.289 0 50 DEAA C[C@@](O)(CC(=O)N1CCC(Oc2ccccn2)CC1)C1CC1 328784983 OCADTDRXLUNEID-QGZVFWFLSA-N 304.390 2.003 0 50 DEAA Cc1cnc2c(S(=O)(=O)N3CC[C@@H](N)C[C@@H]3C)cccc2c1 237636045 SZGZBWMVFQKNDG-GXTWGEPZSA-N 319.430 2.044 0 50 DEAA CC(C)(O)[C@@H](O)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 585121688 WGCFLDPZVZAXIJ-HOTGVXAUSA-N 317.360 2.163 0 50 DEAA O=C(O)Cc1occc1C(=O)N1CCOc2cccc(F)c2C1 909697043 VRLTZNARMMSTMZ-UHFFFAOYSA-N 319.288 2.081 0 50 DEAA CC(C)Cc1ccc(CN2CCC[C@@H](S(C)(=O)=O)C2)cn1 893615143 RYEZPIXJNXLAGW-MRXNPFEDSA-N 310.463 2.289 0 50 DEAA CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1 2325710614 HAKUIADTFNKBAX-HZPDHXFCSA-N 312.369 2.187 0 50 DEAA C[S@](=O)(=NC(=O)c1cc2ccccc2[nH]1)[C@@H]1CC[C@H](O)C1 2325803413 FNNNQTZBVAGIHV-QLMNROTDSA-N 306.387 2.319 0 50 DEAA COC[C@H](NC(=O)c1c(C)cc(C)nc1C)C1CCOCC1 906022291 MKHOZYSDTUIAEE-HNNXBMFYSA-N 306.406 2.178 0 50 DEAA 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2.072 0 50 DEAA COc1nc(C)cc(C)c1-c1nc2c([nH]1)CC(C)(C)CNC2=O 65408045 XOISIMBUWFQTAB-UHFFFAOYSA-N 314.389 2.409 0 50 DEAA O=C(CNCC1CCOCC1)NCCc1ccc(Cl)cc1 65453766 UZMAPOSIEBPWGD-UHFFFAOYSA-N 310.825 2.015 0 50 DEAA C[C@@H](CN1CCC2(CC1)C(=O)NCCCN2C)c1ccccc1 67956207 IRMWVPGVEYULGP-INIZCTEOSA-N 315.461 2.076 0 50 DEAA CCc1nnc(CNC(=O)[C@@H]2CCCN(C3CCCCC3)C2)o1 65499050 YWTHFFYOLNOJQS-CYBMUJFWSA-N 320.437 2.293 0 50 DEAA Cc1n[nH]c(SCCNC2CCC3(CCNCC3)CC2)n1 67757786 YRAKTIGXXIDBCJ-UHFFFAOYSA-N 309.483 2.107 0 50 DEAA O=c1c2c3c(sc2ncn1CCc1cccs1)CNCC3 65399149 ARFMLEYVYLVTLD-UHFFFAOYSA-N 317.439 2.408 0 50 DEAA O=C(Nc1ccc(O)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 20745899 HSVYZDJHMGNOIF-AWEZNQCLSA-N 310.353 2.379 0 50 DEAA CN1CCC(CCNC(=O)CCc2ccc3c(c2)OCO3)CC1 67602112 QKOFWUKJOPAWLW-UHFFFAOYSA-N 318.417 2.196 0 50 DEAA CNC(=O)CCCNC(=O)c1cc(C)nc2cc(Cl)ccc12 215602944 IGCQYEYYFYLCKS-UHFFFAOYSA-N 319.792 2.453 0 50 DEAA CCc1ccccc1OC1CN(CC(C)(C)N2CCOCC2)C1 72157635 RSGUAAJUEAVNOQ-UHFFFAOYSA-N 318.461 2.423 0 50 DEAA CCn1ccnc(N2CCC(NC[C@H]3CC=CCC3)CC2)c1=O 328655185 YCQWWHPNELLFAY-HNNXBMFYSA-N 316.449 2.178 0 50 DEAA COc1cccc2c1OC[C@H](NC(=O)c1oc(C)nc1C)C2 73362332 OPWITNGTUWMWBX-GFCCVEGCSA-N 302.330 2.034 0 50 DEAA CN(CC(=N)O)C[C@@H]1CN(Cc2coc3ccccc23)CCO1 328630981 JZUPVIHWHVQPLL-CQSZACIVSA-N 317.389 2.101 0 50 DEAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1cccc([C@@H]2CCOC2)c1 332757555 QCQLRZIKARUNMH-CVEARBPZSA-N 311.385 2.201 0 50 DEAA O=C(c1cc(-c2cccnc2)on1)N1CCC[C@H]1c1ncc[nH]1 253423071 VASJCLHKGGTNHP-ZDUSSCGKSA-N 309.329 2.437 0 50 DEAA CC[C@@H](C)c1nc([C@H](C)NC(=O)C2CCN(C3CC3)CC2)n[nH]1 332723822 KGKLGCQOYPWUBD-NEPJUHHUSA-N 319.453 2.370 0 50 DEAA Cc1nc(C)c(F)c(N[C@@H]2CCO[C@H](c3ccnn3C)C2)n1 333758150 ZCDGGQCQRQBMFM-YPMHNXCESA-N 305.357 2.298 0 50 DEAA COc1cc(OC)cc(N2CC[C@H](CNc3cnccn3)C2)c1 129400201 MJDNRUOSPMVMNJ-CYBMUJFWSA-N 314.389 2.432 0 50 DEAA Cc1ccc2nc([C@@H](C)NC(=O)CCCn3cncn3)[nH]c2c1 215535771 ZMZUMRFWKOTNKK-GFCCVEGCSA-N 312.377 2.120 0 50 DEAA O=C(c1cccc2nccnc12)N1CCO[C@@H](C(F)(F)F)C1 72149835 OOASPSHSLPFAGS-LLVKDONJSA-N 311.263 2.033 0 50 DEAA Cc1nc(-c2ccccc2)oc1C(=O)N[C@H](CC(F)F)C(=O)O 262954120 IRPAKFAOXBQVSA-SNVBAGLBSA-N 324.283 2.488 0 50 DEAA C[C@H](CS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1 240444285 FXFHHSFKKLYYMJ-OIISXLGYSA-N 322.474 2.288 0 50 DEAA Cc1cc(C)c2nc(C)cc(C(=O)N[C@H](C)c3nnn[nH]3)c2c1 77436728 TVUSQEPXGCXXAO-LLVKDONJSA-N 310.361 2.164 0 50 DEAA C[C@@H]1CCCN(c2cc(N3C[C@@H](C(=O)O)C[C@@H](C)C3)ncn2)C1 263168842 JBJZINDUILAWOI-MCIONIFRSA-N 318.421 2.260 0 50 DEAA Cc1noc2ncnc(N[C@@H]3CCOC4(CCOCC4)C3)c12 77356316 BIMZJUGMENQORI-LLVKDONJSA-N 304.350 2.066 0 50 DEAA CCS(=O)(=O)Nc1ccccc1C(=O)N1CC[C@@H](C)[C@H]1C 178164161 VWTWWXXMHKTORL-VXGBXAGGSA-N 310.419 2.319 0 50 DEAA O=C(NCc1cn2c(n1)SCC2)c1ccc2c(c1)CCCO2 426628298 OHZLPJIEYVSIOC-UHFFFAOYSA-N 315.398 2.244 0 50 DEAA Cc1ccc(F)c2c1CCCN2C(=O)C[C@H]1CCCC(=O)N1 289852178 VIKIJEDIXILYPI-GFCCVEGCSA-N 304.365 2.472 0 50 DEAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1nonc1C)CC2 426523439 JVAFFSABQGYHPG-HYVNUMGLSA-N 321.421 2.317 0 50 DEAA C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)C1CC(C(=O)O)C1 616036504 VIBFVUDICSLNPA-QDDLSMGYSA-N 323.414 2.054 0 50 DEAA COc1ccnc(C(=O)NC[C@H]2CCN(C3CCCC3)C2)c1 426478127 QAOBTYZDPSQVPE-CYBMUJFWSA-N 303.406 2.085 0 50 DEAA COCCC[C@@]1(CO)CCCN(C(=O)CCC(F)(F)F)C1 91877226 NKNUWASDDQJGOZ-ZDUSSCGKSA-N 311.344 2.357 0 50 DEAA CCc1cnc(NCC2(N3CCN(C)CC3)CCCC2)nc1 95355484 LSNZJCGLBZMXNI-UHFFFAOYSA-N 303.454 2.011 0 50 DEAA CCc1cnc(C)nc1N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 91596082 GLNDNAKWJWCPFE-ACJLOTCBSA-N 319.449 2.351 0 50 DEAA Cc1noc(C)c1CCCNC(=O)C1CCN(C(C)C)CC1 95359385 ZCOHRWABYLEOMK-UHFFFAOYSA-N 307.438 2.461 0 50 DEAA Cc1c(CNC(=O)[C@H]2CCCN(C(N)=O)C2)oc2ccccc12 91871261 PBXWDEZSTRCWLW-LBPRGKRZSA-N 315.373 2.148 0 50 DEAA CC/C(C)=C/CCN1CCC(c2nccn2CC(N)=O)CC1 95529000 SRZMUDVANDYDQA-LHHJGKSTSA-N 304.438 2.294 0 50 DEAA CC(C)c1noc(CN(C)[C@H](C)C(=O)NCc2ccccc2)n1 244811632 SIDKCAZRYWUAPE-CYBMUJFWSA-N 316.405 2.330 0 50 DEAA COCC[C@@H]1CCCCN1C(=O)NCc1ccc(CO)cc1 534640072 XOPVPLYGHFNIED-INIZCTEOSA-N 306.406 2.280 0 50 DEAA CN(C)C1(CNC(=O)CCC(=O)Nc2ccccc2)CCCC1 534585967 ZTMZHKLKVGWHTN-UHFFFAOYSA-N 317.433 2.396 0 50 DEAA Cc1ncn(C)c1C(=O)NCC[C@@H]1CCCCN1CC(C)C 299798773 RIKCDKFTTKPEQK-HNNXBMFYSA-N 306.454 2.359 0 50 DEAA Cc1cccc(-c2ncc(CN3CCN4C(=O)OC[C@H]4C3)cn2)c1 825224803 XIEAQNXRXSMKTM-MRXNPFEDSA-N 324.384 2.088 0 50 DEAA CC[C@@H](C)S(=O)(=O)NCCCc1nc2ccc(F)cc2[nH]1 822646492 ZATPIXNUGALWLR-SNVBAGLBSA-N 313.398 2.353 0 50 DEAA COc1ccc(Cc2nc([C@@]3(C)CC(C)=NO3)n[nH]2)cc1OC 824603758 FQGOBTCGTZJMOT-MRXNPFEDSA-N 316.361 2.424 0 50 DEAA COCC1(C(=O)NCc2nc3ccc(OC)cc3[nH]2)CCC1 584898843 YKSQXELUPLLLAR-UHFFFAOYSA-N 303.362 2.004 0 50 DEAA Cc1cc(CN(C)c2cncc(C(=O)N3CCCC3)n2)ccn1 670448956 NAVDBLLDGVOYBE-UHFFFAOYSA-N 311.389 2.052 0 50 DEAA Cc1cc(C(=O)N(C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(C)n1 584885833 UMWHGNRIXBAJGQ-AWEZNQCLSA-N 317.433 2.417 0 50 DEAA 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c1ccc(-n2nnc(CN3C[C@H]4COC[C@H]4C3)c2C2CC2)cc1 634745058 ULQKYSYHBXPBQK-GASCZTMLSA-N 310.401 2.223 0 50 DEAA CCCc1occc1C(=O)N1CCC(n2c(C)nnc2N)CC1 585127007 NKHKGYCOTCCXKS-UHFFFAOYSA-N 317.393 2.192 0 50 DEAA C[C@@H]1CCCN(C(=O)c2cc3c(nc2O)CCC[C@@H]3O)CC1 585121908 FWBNJESFSXMTPK-ABAIWWIYSA-N 304.390 2.419 0 50 DEAA Cc1cnc(OC2CCN(Cc3ccncc3F)CC2)nc1 653799260 UGKKMMFPNAAMMD-UHFFFAOYSA-N 302.353 2.363 0 50 DEAA Cc1nc(O)cc(CN(Cc2ccncc2)C[C@H]2CCCO2)n1 1529169413 YKODBMKGXJDKJY-MRXNPFEDSA-N 314.389 2.067 0 50 DEAA CO[C@H]1CN(C(=O)Cc2cccs2)C[C@H]1Cc1cc(C)no1 1529179990 AIZHYDABYODABW-DOMZBBRYSA-N 320.414 2.303 0 50 DEAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1oc(C)nc1C 1565528074 UEBWWDZNFBOEOF-KBPBESRZSA-N 308.378 2.162 0 50 DEAA CCCCC[C@H](C)NC(=O)N[C@@H]1COCCC1(OC)OC 1615058195 MFBLHQRGQSNZDS-QWHCGFSZSA-N 302.415 2.032 0 50 DEAA CC(C)(C)c1nnc(CNC(=O)[C@@H]2CCCN[C@@H]2C2CC2)s1 1615044420 CHQWXPGVFHUWIB-DGCLKSJQSA-N 322.478 2.230 0 50 DEAA CC(C)c1ccc(NC(=O)CSc2nc(O)cc(=O)[nH]2)cc1 16475518 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317.780 2.144 0 50 DEAA Cc1ccccc1CC(=O)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1 910620564 OXJJSCISEGJPOI-SWKXRBFHSA-N 317.385 2.066 0 50 DEAA Cc1c(O)nc2ccccc2c1C(=O)NC[C@](C)(O)C(C)C 933836018 XUNJUAMBKAXZEI-KRWDZBQOSA-N 302.374 2.386 0 50 DEAA CO[C@@]1(C)C[C@H]1NC(=O)NC1CCC(O)(c2ccccc2)CC1 852685440 HQDZOYGEEQWWQQ-AUCMRZJMSA-N 318.417 2.293 0 50 DEAA Cc1n[nH]c(C)c1CN[C@@H]1[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 400419583 WLSYASUCKPJNHZ-IACUBPJLSA-N 306.410 2.124 0 50 DEAA CN(CC(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1)C1CC1 2325760314 HZJGTFPXPGTPLM-CYBMUJFWSA-N 302.296 2.315 0 50 DEAA O=C(O)[C@@H]1C[C@H]2C=C[C@H]1N(C(=O)c1ncoc1-c1ccco1)C2 2325807785 SKTUBZIYKGSEIJ-GMTAPVOTSA-N 314.297 2.036 0 50 DEAA C[C@@H]1CCCC[C@H]1CCNC(=O)NC[C@@]1(O)COC2CC1C2 2325880103 UWSPZZCLVMCYAA-SALKPKHPSA-N 310.438 2.042 0 50 DEAA O=C(O)c1cc(Br)cn(Cc2ccccc2)c1=O 170142 HPWHNUKTQGMPDV-UHFFFAOYSA-N 308.131 2.357 0 50 DEAA O=C(Nc1nnc(CCc2ccccc2)s1)[C@@H]1CCCO1 620115 YLZYMULMCSPGII-LBPRGKRZSA-N 303.387 2.441 0 50 DEAA 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2.414 0 50 DEAA Cc1[nH]c2ccccc2c1CCNC(=O)CCCn1cncn1 216377214 ICQNAQRZBAYKOT-UHFFFAOYSA-N 311.389 2.207 0 50 DEAA CC(=O)NC1CCC(NC[C@@H](c2cccs2)N(C)C)CC1 132379456 OVTIUZVJEMOKCI-NRXISQOPSA-N 309.479 2.388 0 50 DEAA CCc1nc2ccccc2n1CC(=O)NOCc1cccnc1 178681437 CEXXODLBNLUCBA-UHFFFAOYSA-N 310.357 2.242 0 50 DEAA C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1cnn(CC(N)=O)c1 178955163 RQSZVWPZBGTWFT-UXBLZVDNSA-N 318.764 2.064 0 50 DEAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)NCCCOC1CCCC1 426546252 TVLVKYGSVDPINB-UHFFFAOYSA-N 308.378 2.409 0 50 DEAA COc1cccc(NC(=O)Nc2cccc([C@H](O)CO)c2)c1 161969056 MONOCOJRDULOAO-OAHLLOKOSA-N 302.330 2.365 0 50 DEAA COc1cccc2c1OC[C@@H](CNC(=O)CC(F)(F)F)C2 95367758 WNPSNPYXZABASL-SECBINFHSA-N 303.280 2.315 0 50 DEAA O=C(NCCN1CCC[C@@H](CO)C1)Nc1ccccc1C1CC1 96148783 RUDLHBIMNLZRPZ-CQSZACIVSA-N 317.433 2.390 0 50 DEAA CCN1CCC(CC(=O)NCCc2c(C)nn(CC)c2C)CC1 95378301 DNKDUETVHPBXEX-UHFFFAOYSA-N 320.481 2.301 0 50 DEAA CCCc1nc(C)c(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)s1 91440244 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MRMXUVJHQHDNMD-MASVMSMMSA-N 317.433 2.109 0 50 DEAA C[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1cccc(S(N)(=O)=O)c1 170644115 YEGIJSYXRSKJSR-MBNYWOFBSA-N 324.446 2.338 0 50 DEAA CC(C)c1nn(C)cc1C(=O)N[C@@H](CCO)c1cccs1 761936920 WAVMEMRVGDXXSV-LBPRGKRZSA-N 307.419 2.459 0 50 DEAA Nc1nc(CCCNc2ncc(F)c(N3CCCC3)n2)cs1 1529111946 CCENOCVLPLRTOP-UHFFFAOYSA-N 322.413 2.299 0 50 DEAA Cc1cc(-c2nn[nH]n2)cc(C)c1CN1C[C@H](O)CC(C)(C)C1 1605521819 TYEDWSQPWRCGMI-CQSZACIVSA-N 315.421 2.076 0 50 DEAA CC(C)c1ccc(CC(=O)N(CCO)Cc2ncc[nH]2)cc1 1704315326 ZXEMSZBNFCRSOE-UHFFFAOYSA-N 301.390 2.097 0 50 DEAA C[C@@]1(c2ccc(C(=O)O)cc2)Nc2ccccc2-c2nnnn21 1615055846 QTJRHZNYVNFZMK-MRXNPFEDSA-N 307.313 2.185 0 50 DEAA COc1ccc2nc(C)c(C(=O)N3CCC[C@H]3C(C)C)n2n1 1615051060 JJRHXPNGHOWNGL-LBPRGKRZSA-N 302.378 2.307 0 50 DEAA Cn1ccc(-c2noc([C@H]3CNCC34CCCCC4)n2)cc1=O 1615057177 FFVGWCZHVPJTLH-CYBMUJFWSA-N 314.389 2.073 0 50 DEAA CO[C@@H](CS(=O)(=O)Nc1ccc(CO)cc1)C1CCCC1 1615548257 COVZTICOVOOLOO-HNNXBMFYSA-N 313.419 2.126 0 50 DEAA CCCc1cc(CN(C)C[C@H]2CCC(=O)N(C(C)C)C2)n[nH]1 1772805116 ZDRVJRHDRIWOHN-CQSZACIVSA-N 306.454 2.441 0 50 DEAA CCc1ccccc1NC(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1 1857715484 UGQSPWMJNZMHAZ-QEJZJMRPSA-N 303.406 2.232 0 50 DEAA CCC[C@]1(CO)CCN(Cc2ccc(OC)cc2C)C[C@@H]1O 1875249306 RDBFCBJDVOVPBF-ZWKOTPCHSA-N 307.434 2.349 0 50 DEAA C[C@H](C(=O)Nc1cnc2c(F)cccc2c1)[C@H]1CCC(=O)N1 628070328 QYFURCHUPNJIDS-TVQRCGJNSA-N 301.321 2.227 0 50 DEAA C[C@H](c1ccccc1Cl)N(C(=O)C[C@@H](CN)CO)C1CC1 328598357 LTLCDTZQLBYZJU-NEPJUHHUSA-N 310.825 2.349 0 50 DEAA Cc1c(NC(=O)N[C@@H]2CCOc3c(Cl)cccc32)nnn1C 333574779 MWURSSQHWIQLKV-LLVKDONJSA-N 321.768 2.422 0 50 DEAA C[C@H](C1CC1)n1nccc1NC(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 669312770 QAXCVYZBPSVMBY-UQOMUDLDSA-N 318.421 2.479 0 50 DEAA CC(C)n1nc2c(c1NC(=O)CN1CCCCCC1=O)CCC2 471705319 JPIVYGKQDDOCEQ-UHFFFAOYSA-N 318.421 2.294 0 50 DEAA COc1nc(C)cc(N2CCN(c3nc(C)c(C)s3)CC2)n1 680622423 AJIATAZJEARNTG-UHFFFAOYSA-N 319.434 2.194 0 50 DEAA CNC[C@H]1CCCN(C(=O)Cc2ccccc2OC(C)C)C1 158910820 JTFVIVZGYPMIBV-OAHLLOKOSA-N 304.434 2.474 0 50 DEAA CCn1cc(O[C@@H]2COC[C@@H]2NCc2cc(C)ccc2F)cn1 818230905 HDENXYQKHBOKTP-DLBZAZTESA-N 319.380 2.287 0 50 DEAA Cc1nnc(-c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)cc2)o1 266144459 MMAPRJFGXWROME-HNNXBMFYSA-N 314.389 2.211 0 50 DEAA Cc1cc(C(=O)N(C)c2ccc(OCC(=O)O)cc2)c(C)n1C 909786227 MHAGQSRSYDTNHI-UHFFFAOYSA-N 316.357 2.382 0 50 DEAA CCCCc1cnc(NC(=O)Cc2cn(C)nc2Cl)nc1 839432101 JCZPVSLFFVQLII-UHFFFAOYSA-N 307.785 2.387 0 50 DEAA C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl 123879841 BHDKOQMADQEVBE-JOYOIKCWSA-N 320.817 2.370 0 50 DEAA Cc1nc(CO)n(Cc2ccn(-c3ccc(F)cc3)n2)c1C 2325772343 DKTYOYFWEJJADN-UHFFFAOYSA-N 300.337 2.365 0 50 DEAA CN1CCC(c2nc(-c3ccc4ncnc(O)c4c3)no2)CC1 2325774314 HXCDQFPRQZBHGB-UHFFFAOYSA-N 311.345 2.195 0 50 DEAA O=C(N[C@H]1CCSC1=O)c1ccc(Br)cc1 245836 VJZLVCSKLAWSMT-VIFPVBQESA-N 300.177 2.211 0 50 DEAA Cc1cc(S(N)(=O)=O)ccc1NC(=O)[C@H](C)c1ccccc1 463202 GZGUVVBURPWQOY-GFCCVEGCSA-N 318.398 2.385 0 50 DEAA CN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 2811856 WHBVPERRQFUWAB-UHFFFAOYSA-N 322.361 2.085 0 50 DEAA CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1 6314588 MJMUMGOIDGLZOK-UHFFFAOYSA-N 308.359 2.059 0 50 DEAA CN/C=C1/C(=O)N(c2ccc(OC)cc2)C(=O)c2ccccc21 6492851 LYHRXDXWRZSQFR-LFIBNONCSA-N 308.337 2.443 0 50 DEAA CNCC(=O)Nc1ccccc1OCCOc1ccccc1 55343958 RWCGBHCKTWDQJL-UHFFFAOYSA-N 300.358 2.302 0 50 DEAA C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCC[C@H]1c1ccncc1 246740171 YLZOVZANLJYSDE-KBMXLJTQSA-N 319.405 2.122 0 50 DEAA Cc1ccc(CC(=O)NC2CCN(c3cccc(C)n3)CC2)cn1 116669360 XEWWVPWPTILDAC-UHFFFAOYSA-N 324.428 2.421 0 50 DEAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)CCc1cc(O)no1 55254451 WRNXZZYZMVHOSC-SNVBAGLBSA-N 304.350 2.427 0 50 DEAA O=C(c1c[nH]nc1C1CC1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348240942 IPULEOTWKQXNNP-DZGCQCFKSA-N 315.348 2.374 0 50 DEAA CO[C@@H](C)c1cccc(NC(=O)c2ccoc2CC(N)=O)c1 351825323 XIZJJLNMFHWKMR-JTQLQIEISA-N 302.330 2.267 0 50 DEAA O=C(c1cccc2ncccc12)N1CC[C@H](N2CCCC2=O)C1 330086873 SLOPFXBVEPVKHL-ZDUSSCGKSA-N 309.369 2.072 0 50 DEAA CC(C)Cc1cccc([C@@H](C)C(=O)NCC(=O)NC2CC2)c1 252483202 DXDMNDXVTXNFGI-CYBMUJFWSA-N 302.418 2.383 0 50 DEAA Cc1cccn2cc(C(=O)N3CCC4(CCN(C)C4)CC3)nc12 65464459 PIVRKONTVMZDCQ-UHFFFAOYSA-N 312.417 2.201 0 50 DEAA COc1ccc(CCCC(=O)N2C[C@@H](O)C3(CC3)C2)c(OC)c1 364469070 VZNZYPYQONRLLY-MRXNPFEDSA-N 319.401 2.010 0 50 DEAA CN(CCc1ccccc1)[C@H]1CCCN(C(=O)c2c[nH]cn2)C1 12434267 YADZUOLNRYSCKX-INIZCTEOSA-N 312.417 2.189 0 50 DEAA Cc1cc(C(=O)NC2(c3nc[nH]n3)CCC2)nn1[C@H](C)C1CC1 329333637 KIFLDRKNKNKMEJ-LLVKDONJSA-N 314.393 2.090 0 50 DEAA Cc1occc1C(=O)NC1CCN(Cc2cc(C)n(C)n2)CC1 487427661 JOUZIDCRBFLJOV-UHFFFAOYSA-N 316.405 2.024 0 50 DEAA CCO[C@@H]1C[C@@H](NC(=O)N2CCC[C@@](C)(CO)C2)C12CCC2 128484486 UVCSCLWOPAIWRI-IIAWOOMASA-N 310.438 2.138 0 50 DEAA Cn1ccc(-c2noc([C@H]3CCCN(c4ncccn4)C3)n2)c1 377457226 WDVGNMOFVAGGDB-ZDUSSCGKSA-N 310.361 2.249 0 50 DEAA O=C(COc1cccnc1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 219866798 SHUFDLOVMBABTB-HPBDAGMYSA-N 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318.446 2.481 0 50 DEAA O=C(OCc1ccccc1)N1CCO[C@H](CN2CCCC2)C1 261507388 HYXZJNAWLKDMBB-MRXNPFEDSA-N 304.390 2.120 0 50 DEAA Cc1cc(C(=O)N2CCCN(Cc3cccnc3)CC2)cc(C)n1 299770307 PLLGHDVSCQYQFE-UHFFFAOYSA-N 324.428 2.442 0 50 DEAA Cc1ccc([C@]2(C(=O)N(CCO)CCN(C)C)CC2(C)C)cc1 299773601 DLNKAJNJPTWQGA-IBGZPJMESA-N 318.461 2.045 0 50 DEAA Cc1ccc(CN2CCC[C@@H](CNC(=O)c3ccnnc3)C2)o1 825198120 YBTIBLGSPOUBJV-AWEZNQCLSA-N 314.389 2.020 0 50 DEAA Cc1ncn(CCNC(=O)c2ccc(-c3cc[nH]n3)cc2)c1C 670452551 GTZMMDUSUYHKPQ-UHFFFAOYSA-N 309.373 2.320 0 50 DEAA CC[C@H](C)c1ccc(C(=O)N(C)Cc2ccc(=N)[nH]c2)c(O)n1 1875296706 KEPIWIAWPOKBRE-NSHDSACASA-N 314.389 2.380 0 50 DEAA Nc1cc(=N[C@@H]2CCC[C@@H](c3ccccc3)C2)nc2nc[nH]n12 1875294591 KFLMNEOWCCYVOF-ZIAGYGMSSA-N 308.389 2.267 0 50 DEAA CSc1ncc(CNCc2cnc(-c3ccco3)nc2)n1C 952985430 AJLHNZZDMBCDES-UHFFFAOYSA-N 315.402 2.482 0 50 DEAA O=C([C@H]1CCc2nncn2CC1)N1CC[C@H]1c1ccc(F)cc1 880674443 OAHJFBWETYRLSG-ZFWWWQNUSA-N 314.364 2.343 0 50 DEAA 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Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)CN(C)C 952990799 ZHYZITHMRWQAGN-UHFFFAOYSA-N 301.346 2.340 0 50 DEAA COc1ccccc1-c1cc(C(=O)N2CCc3nc[nH]c3C2)n[nH]1 888103879 HTTAQIIWGRVWLH-UHFFFAOYSA-N 323.356 2.007 0 50 DEAA Cc1cnc(C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)c(C)c1 881552975 VJNZDXSHGCFKEC-HNNXBMFYSA-N 318.417 2.404 0 50 DEAA CCc1nnc2n1CCN(c1ccnc3ccc(OC)cc13)C2 1333698525 XDGPSLAWDLKEHY-UHFFFAOYSA-N 309.373 2.418 0 50 DEAA Cc1[nH]nc(NC(=O)[C@H](C)n2cncn2)c1-c1ccc(F)cc1 1472087605 ZHPUEGPPNBFFHF-JTQLQIEISA-N 314.324 2.315 0 50 DEAA O=C(NC[C@H](O)c1ccco1)c1cnc(-c2ccccc2)nc1 303230659 UIDILNJQGCRKJB-AWEZNQCLSA-N 309.325 2.200 0 50 DEAA CO[C@]1(C)C[C@H](N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1(C)C 408069063 BXHLTEACKBNJBE-UKTARXLSSA-N 303.468 2.135 0 50 DEAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Cc1ccccc1Cl 275249871 AFVVEULLRIKEFM-ZFWWWQNUSA-N 319.792 2.262 0 50 DEAA Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)ns1 278520558 YQNILIXKLPLXBC-NSHDSACASA-N 320.370 2.159 0 50 DEAA COc1ccccc1SC[C@H](C)CN1C(=O)N[C@@H](C)C1=O 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CN(C)C(=O)CCC(=O)N[C@H]1CCCN(CC2CCCCC2)C1 12571896 MCUDCKZOFQMPAC-INIZCTEOSA-N 323.481 2.016 0 50 DEAA Cc1cccc(C(=O)Nc2cnc3sc(C)nn3c2=O)c1 14291581 XNFNZLHZTSDULE-UHFFFAOYSA-N 300.343 2.020 0 50 DEAA CC[C@@H](C(=O)Nc1ccc(F)cc1)n1c(N)nnc1SC 16626700 DGYOSVOIPGOEBC-JTQLQIEISA-N 309.370 2.311 0 50 DEAA CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(F)cc1 19771575 KHGZKIMUQLITFB-TWMKSMIVSA-N 306.333 2.044 0 50 DEAA C[C@H](N)[C@@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 156513583 NOLNCLNPNJDJHW-YSVLISHTSA-N 302.418 2.276 0 50 DEAA CCn1cccc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)c1=O 417273813 SZFJQTIMUWCNIW-UHFFFAOYSA-N 320.437 2.299 0 50 DEAA CC[C@H](C)n1ncc(NC(=O)N2CCCN(C(C)=O)CC2)c1C 408352066 LYLXTAWVPGCOBT-LBPRGKRZSA-N 321.425 2.249 0 50 DEAA CCc1cc(O)nc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)n1 225516426 XLZBOQURGDPVPD-HUUCEWRRSA-N 317.364 2.192 0 50 DEAA CS(=O)(=O)[C@H]1CCCCN(Cc2csc(C3CC3)n2)C1 328619225 VTVRNVWNKGJAFL-ZDUSSCGKSA-N 314.476 2.420 0 50 DEAA Nc1nccc([C@H]2CCCN(C(=O)c3ccnc(C4CC4)c3)C2)n1 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DEAA Cn1ncnc1CN1CCN(C2CC2)c2ccc(Cl)cc21 390834796 ZOJCMQBTJGROHV-UHFFFAOYSA-N 303.797 2.458 0 50 DEAA CCc1cc(NC(=O)N[C@@H](c2nccn2C)C(F)(F)F)no1 1646908240 HFDSKYJOYKKQQU-VIFPVBQESA-N 317.271 2.396 0 50 DEAA CC[C@@H]1c2ccccc2CN1S(=O)(=O)N1CCOC(C)(C)C1 908257028 DUTILAFTEGUFJX-OAHLLOKOSA-N 324.446 2.309 0 50 DEAA O=S(=O)(NCCCc1cn[nH]c1)c1ccc(Cl)s1 314608707 UNKWQXHWJDCMBG-UHFFFAOYSA-N 305.812 2.036 0 50 DEAA CN1CCN(C(=O)CN2C[C@H]3CC[C@H]2C3)[C@@H](C2CCCCC2)C1 2325829702 QBOQWNTULCDOIW-RYQLBKOJSA-N 319.493 2.194 0 50 DEAA CN(CC(=O)N[C@H](C(=O)O)c1cccs1)c1ccccc1 2325876838 CDOWNTFXYPVAGQ-AWEZNQCLSA-N 304.371 2.126 0 50 DEAA COn1c(=O)c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc21 619063 GIGTZSKIWARBDF-UHFFFAOYSA-N 302.717 2.014 0 50 DEAA COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(F)cc32)cc1 1320540 QWAJRHJMMTZEAQ-KRWDZBQOSA-N 315.300 2.247 0 50 DEAA O=C(Cc1ccccc1)NCCCCNC(=O)Cc1ccccc1 2729540 GYLIXRZGMBZSMD-UHFFFAOYSA-N 324.424 2.484 0 50 DEAA biogenic,in-vitro CCOc1ccc2ccccc2c1C(=O)NN1CCOCC1 2872603 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0 50 DEAA CCSc1nc(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3)cs1 65505850 MYFLZOHXMKYZGH-MNOVXSKESA-N 311.476 2.151 0 50 DEAA Cc1cncc(-c2noc(C[C@H]3Oc4ccccc4NC3=O)n2)c1 355856400 SDGYCESGHAYOHA-CQSZACIVSA-N 322.324 2.382 0 50 DEAA Cc1noc2ncnc(N3C[C@@H](O)C[C@@H]3c3cccc(F)c3)c12 253395713 GDYLXFFNIJQOBI-QWHCGFSZSA-N 314.320 2.378 0 50 DEAA O=C(NCCc1cccnc1)N1CCC(C2CCOCC2)CC1 151544684 RLJARBWVZDHIGH-UHFFFAOYSA-N 317.433 2.472 0 50 DEAA Fc1ccccc1-n1ccc(CN2CCO[C@@H]3CCOC[C@@H]32)n1 366307672 DYLIFMVPNPLGNT-DLBZAZTESA-N 317.364 2.001 0 50 DEAA CN(CCc1cnn(C)c1)C(=O)CCC(=O)c1ccc(F)cc1 215060362 UGFSJICBWWATPO-UHFFFAOYSA-N 317.364 2.223 0 50 DEAA Cc1nc(CC(=O)NCc2csc(N3CCCC3)n2)cs1 72424551 PGPIFWKEBFXYFW-UHFFFAOYSA-N 322.459 2.367 0 50 DEAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cnn2ccccc12 261931086 STJWGGMKNWNBCE-WHOFXGATSA-N 313.357 2.192 0 50 DEAA CCO[C@H]1C[C@@H](NC(=O)N2CCC=C(C)C2)C12CCOCC2 373873671 XIYADIDZFJCZSF-CABCVRRESA-N 308.422 2.322 0 50 DEAA Cc1ccccc1-c1nc(Cn2cnc3cnccc3c2=O)no1 126499388 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CC[C@]1(CO)CCCN1C(=O)NCc1noc2ccccc12 583508154 BUXMZOLHKRXCIN-MRXNPFEDSA-N 303.362 2.274 0 50 DEAA Cc1ncsc1CNc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1 901714741 WIWWBILRHXYIBC-JTQLQIEISA-N 319.386 2.267 0 50 DEAA CN1C(=O)CCC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)CCC2 906920010 UMXREBYJJWUJEY-AWEZNQCLSA-N 300.358 2.155 0 50 DEAA Cc1n[nH]c(C)c1CCNC(=O)[C@@]1(C)OCCc2ccccc21 909297897 QYFOXNHSZNAORZ-SFHVURJKSA-N 313.401 2.173 0 50 DEAA C[C@H](Cc1cccnc1)NC(=O)Nc1cnc2c(c1)COCC2 930748489 FMOLTVZOKFLXCD-GFCCVEGCSA-N 312.373 2.302 0 50 DEAA Cc1nc2n(n1)C[C@@H](C(=O)NCCc1ccccc1Cl)CC2 930926069 YDSFLXHIYZXQDH-ZDUSSCGKSA-N 318.808 2.161 0 50 DEAA Cn1nccc1[C@H]1CCCN1CC(=O)Nc1ccc(F)c(F)c1 932271068 ZBRHIYNAIAMTGD-OAHLLOKOSA-N 320.343 2.474 0 50 DEAA CNC[C@@H]1CCCN(C(=O)c2occc2Br)C1 237204405 LCAWULNTDJMKSV-VIFPVBQESA-N 301.184 2.114 0 50 DEAA Cn1ncc2c(NC(=O)CCc3ccc4ocnc4c3)nncc21 2325823819 FTWMZEUTSWWDJP-UHFFFAOYSA-N 322.328 2.076 0 50 DEAA CCCN1CCC[C@@H](C(=O)NCc2nc3ccc(F)cc3[nH]2)C1 906853347 BHKVRFBDGYJKME-GFCCVEGCSA-N 318.396 2.440 0 50 DEAA O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)OCc1ccccc1 105356 MCRMUCXATQAAMN-HNNXBMFYSA-N 315.325 2.314 0 50 DEAA biogenic,in-vitro COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 461546 SGHJQVRLLNHPMX-NXEZZACHSA-N 319.810 2.147 0 50 DEAA O=C(Cc1ccccc1)NCCCNC(=O)Cc1ccccc1 1752302 SSRVKABZYRFQJT-UHFFFAOYSA-N 310.397 2.094 0 50 DEAA biogenic CC1=CC2(CCN(C(=O)c3cnn4cccnc34)CC2)OCC1 2356156924 WXWKDEXWTYLWAO-UHFFFAOYSA-N 312.373 2.071 0 50 DEAA COc1ccc(CNC(=O)c2cc3c(s2)C[S@@](=O)C3)cc1 4670321 NHMMSFCNBXDWOC-OAQYLSRUSA-N 321.423 2.449 0 50 DEAA CCOC(=O)[C@@H]1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1 4990208 UYHHBIMZDYSKCQ-CYBMUJFWSA-N 323.389 2.185 0 50 DEAA O=C(Cn1cnc2ccccc2c1=O)Nc1cccnc1Cl 6086816 ZUCGSFGCXKSBPK-UHFFFAOYSA-N 314.732 2.084 0 50 DEAA COc1ccc2oc(CNC[C@@H]3CN4CCC[C@H]4CO3)cc2c1 110697905 LMXCSVHOAPXFTI-WMLDXEAASA-N 316.401 2.394 0 50 DEAA CN(C)[C@@H](CNC(=O)c1ccoc1Br)C1CC1 225547143 ZIYWWHVEHRCMHK-JTQLQIEISA-N 301.184 2.112 0 50 DEAA CN(Cc1ccn[nH]1)C(=O)CC(=O)Nc1ccc(F)c(Cl)c1 55255110 RIPYMPWHRXXKGE-UHFFFAOYSA-N 324.743 2.189 0 50 DEAA Cc1ccc2oc(=O)n(CN3CC[C@]4(O)CCCC[C@H]4C3)c2c1 247153275 SZQGNRBQSZUABF-KBXCAEBGSA-N 316.401 2.487 0 50 DEAA C[C@@H]1C[C@@H](CO)CN(c2cc(-c3ccccc3)nc3ncnn23)C1 420639192 XSSUPEXMICULFW-ZIAGYGMSSA-N 323.400 2.246 0 50 DEAA Cc1cc(C)c(CN(C)[C@@H](C)C(=O)N(C)C)c(-n2cccn2)c1 67676703 ITQRHECPTQWKQD-HNNXBMFYSA-N 314.433 2.398 0 50 DEAA CCCCc1ccc(NC(=S)N2CCN(CCO)CC2)cc1 20131008 NNEVYDIKBLXAIF-UHFFFAOYSA-N 321.490 2.336 0 50 DEAA O=C(Cc1ccc(O)cc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 119782923 KTJQFGZPTQZBJT-OIISXLGYSA-N 301.386 2.399 0 50 DEAA O=C(Nc1ccc(N2CCOCC2)cn1)c1ncccc1Cl 429855630 USODXQSILXHPMO-UHFFFAOYSA-N 318.764 2.219 0 50 DEAA CC(C)(O)CCc1cccc(C(=O)N2CCCC[C@H]2CO)c1 72428093 HXJRIVWKPZKEGP-INIZCTEOSA-N 305.418 2.377 0 50 DEAA CN(CCc1ccccn1)c1cc(N[C@@H]2CCCOC2)ncn1 328630547 JMQDJVDRCFMLTJ-OAHLLOKOSA-N 313.405 2.141 0 50 DEAA O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@@H]1COCCO1 253426123 ONXONEKCWUNKKS-SECBINFHSA-N 315.156 2.119 0 50 DEAA NC[C@H]1CCCCN1C(=O)c1cccc(Oc2cnccn2)c1 131010609 VMFSGCYPCHPKPL-CQSZACIVSA-N 312.373 2.222 0 50 DEAA CC1(C)[C@H](NC(=O)NC[C@H](O)c2ccsc2)[C@H]2CCCO[C@H]21 240534583 GORVZXTZBBBBDV-XJFOESAGSA-N 324.446 2.284 0 50 DEAA CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1(C)C 240668203 HMXZEWZFKOELFW-CAOSSQGBSA-N 306.450 2.204 0 50 DEAA COC(C)(C)CS(=O)(=O)N(C)c1cccc2cccnc12 332710714 LEFSULYIMWAPRO-UHFFFAOYSA-N 308.403 2.426 0 50 DEAA Cc1ccc([C@H]2CN(C(=O)c3cccnc3S)CCO2)o1 127408397 NHYILRCISVGJNR-CYBMUJFWSA-N 304.371 2.485 0 50 DEAA O=C(c1c[nH]nc1-c1ccoc1)N1CCC[C@@H](c2ccncn2)C1 366908868 PCZHDZXOQCYVBP-GFCCVEGCSA-N 323.356 2.480 0 50 DEAA Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cnn(C)c2)no1 241588415 PCZMTIGLLSHKPJ-YDHLFZDLSA-N 300.362 2.184 0 50 DEAA CCOc1ccnc(N2CCN(C(=O)C3=C(C)CCC3)CC2)n1 333253383 KTGBGWCETPUXNX-UHFFFAOYSA-N 316.405 2.024 0 50 DEAA Cn1cc(CNc2nc3n(n2)CCCC3)c(C2CCCCC2)n1 333824916 KLZYPKVFZQDJLR-UHFFFAOYSA-N 314.437 3.008 0 50 DEAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(CC(=O)O)C1CCOCC1 237790068 JWGAPMCIPPTSHM-CHWSQXEVSA-N 323.414 2.252 0 50 DEAA O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCCNCC1 237897181 POEJAVYGPKKTDP-UHFFFAOYSA-N 318.808 2.020 0 50 DEAA Cc1oc(-c2ccc(Cl)cc2)nc1CN(CCO)CCO 39413005 IWEAKZXFHGBTOQ-UHFFFAOYSA-N 310.781 2.090 0 50 DEAA COc1ccc(CCC(=O)N2CCCC[C@@H]2C(=O)O)cc1OC 262205342 SPMDGBHFRXLGAS-CYBMUJFWSA-N 321.373 2.102 0 50 DEAA O=C(O)CCN(C(=O)/C=C/c1ccc(F)cc1)C1CCOCC1 238071408 QZRZPOGARTYITD-ZZXKWVIFSA-N 321.348 2.321 0 50 DEAA COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 373901597 CFKFKHLFATXGBC-KJWHEZOQSA-N 321.417 2.040 0 50 DEAA CN(C)C(=O)c1ccc(CN2CC[C@H](O)c3ccccc3C2)[nH]1 375240387 IITSVSIAPNXAMA-KRWDZBQOSA-N 313.401 2.156 0 50 DEAA C[C@H]1CN(Cc2noc(C3CCCCC3)n2)CC[S@@](=O)C1 375950114 VSQVYBQJMKLLFH-LAJNKCICSA-N 311.451 2.318 0 50 DEAA O=C(CN1CCC(F)(F)[C@H](CO)C1)Nc1ccc2c(c1)CCC2 291876254 PZRAQFYALMZRPM-AWEZNQCLSA-N 324.371 2.063 0 50 DEAA Fc1cccc(NC(=S)N2CCN(c3ncccn3)CC2)c1 17054319 XSDAIQXRBGGSTR-UHFFFAOYSA-N 317.393 2.135 0 50 DEAA Cn1nncc1CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 614703819 FEMGJLFWBQRKKX-BRWVUGGUSA-N 310.401 2.152 0 50 DEAA CCCN(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 225423293 WHALSUTVDKCBQW-AJNGGQMLSA-N 313.463 2.238 0 50 DEAA O=C1NCCCN(C[C@H]2CCC=CO2)[C@@H]1Cc1ccccc1 293687521 QIGXQISMUBCCLC-IAGOWNOFSA-N 300.402 2.112 0 50 DEAA c1ccc(-c2noc(CCc3nc([C@@H]4CCOC4)no3)n2)cc1 96151272 GZIBDFBYIBMEGN-GFCCVEGCSA-N 312.329 2.409 0 50 DEAA CNCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 92062144 OHRGTERLMIHTLB-HNNXBMFYSA-N 312.417 2.221 0 50 DEAA CC(=O)Nc1ccc2nc(-c3cn([C@@H]4CCOC4)nn3)ccc2c1 91908187 QUGHCVGHWIXEJX-CQSZACIVSA-N 323.356 2.413 0 50 DEAA O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 95373763 GPLXEMLGKWPXMF-JKSUJKDBSA-N 310.401 2.146 0 50 DEAA O=C(O)[C@@H]1CN(C(=O)c2cnc3c(c2)CCCC3)C[C@H]1C1CC1 92045639 NJIVUHYZSJPDSQ-LSDHHAIUSA-N 314.385 2.143 0 50 DEAA COCCc1noc(CCc2nc(-c3ccccc3)no2)n1 96166611 YENIOSBZZIIKEK-UHFFFAOYSA-N 300.318 2.094 0 50 DEAA CC1(C)C[C@@H](NC(=O)CCc2ccc(C(N)=O)cc2)C(C)(C)O1 294921812 IMDBTNQOPUBXMX-CQSZACIVSA-N 318.417 2.180 0 50 DEAA CN(CC(=O)N1CCC[C@@](CC2CC2)(C(=O)O)C1)C1CCCC1 91411299 SVELHOBKABTBIE-SFHVURJKSA-N 322.449 2.354 0 50 DEAA COc1ccc(O[C@H](C)CNC(=O)N2CCC[C@@](C)(O)C2)cc1 162802022 UQWIXIVPXCAZAF-CXAGYDPISA-N 322.405 2.019 0 50 DEAA Cc1c(C(=O)N2CC[C@]3(CCCN(C(C)C)C3=O)C2)ccn1C 91486841 FPYZTOMGXKQCNX-GOSISDBHSA-N 317.433 2.197 0 50 DEAA NC(=O)C[C@@H]1CCCN(C(=O)c2cscc2C(F)(F)F)C1 621897153 PVNUYZNDUPPLIW-QMMMGPOBSA-N 320.336 2.495 0 50 DEAA Cc1cc(C(F)(F)F)nn1CCNC(=O)[C@H](N)CC(C)(C)C 244701084 JZVGYGMNGPVULV-SNVBAGLBSA-N 320.359 2.090 0 50 DEAA Brc1ccc(-c2nnn(C[C@@H]3CCCCO3)n2)o1 298296752 PPYSPMDHURMFNJ-QMMMGPOBSA-N 313.155 2.265 0 50 DEAA COc1cccc(CCNC(=O)[C@H](C)n2cc(C)cn2)c1OC 299758367 MAKPLUDIGIVTQY-ZDUSSCGKSA-N 317.389 2.129 0 50 DEAA C=Cc1ccc(NC(=O)N2CCC[C@@](O)(CN(C)C)C2)cc1 299777541 NAZDTEZLXZSHSD-QGZVFWFLSA-N 303.406 2.250 0 50 DEAA Clc1ccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 299800847 WQNMELDJFGLHEQ-GJZGRUSLSA-N 304.781 2.277 0 50 DEAA COc1ccc(CNC[C@H]2CCCO2)cc1OCC1(C)COC1 299780373 RZLFWZSVKYDPHD-OAHLLOKOSA-N 321.417 2.379 0 50 DEAA CNC(=O)CCN(C)C(=O)NC1(c2cccc(Cl)c2)CC1 584895728 DDRYIHAITDVLEW-UHFFFAOYSA-N 309.797 2.107 0 50 DEAA CCOC(=O)N1CC[C@H](N2CCC(Oc3ccncc3)CC2)C1 584891780 UACHMLWABQDQMF-AWEZNQCLSA-N 319.405 2.156 0 50 DEAA CN(Cc1nc2c(s1)CCCC2)Cc1c[nH]nc1C(=O)O 670465592 ZMHQWUAOGVJSFA-UHFFFAOYSA-N 306.391 2.075 0 50 DEAA CC(C)S(=O)(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 670441179 WMGHGPXVNLCQSP-UHFFFAOYSA-N 301.799 2.386 0 50 DEAA Oc1cccc2sc(CN[C@H]3CCc4ncnn4C3)cc12 952850500 XJBUUHKLHLSHRS-JTQLQIEISA-N 300.387 2.303 0 50 DEAA O=C(OC[C@H]1CCC[C@@H](C2CC2)O1)c1nc[nH]c2nccc1-2 1875295112 REAYUEDNTKMRRR-YPMHNXCESA-N 301.346 2.414 0 50 DEAA CN1C[C@@H](Nc2ncnc3c(F)cc(Cl)cc23)CCC1=O 1875313069 GSKFNYCPGOVFND-VIFPVBQESA-N 308.744 2.455 0 50 DEAA O=C(O)c1cncc(C(=O)N[C@H](c2ccccn2)C2CCC2)c1 1875303979 VMZHZBYRUSAHIV-HNNXBMFYSA-N 311.341 2.446 0 50 DEAA CN(C)[C@@H]1CCC[C@H]1NC(=O)CCC(=O)Nc1cccc(F)c1 952871920 GPIARGMBJVXHHS-HUUCEWRRSA-N 321.396 2.143 0 50 DEAA CN1CCC[C@H](Nc2nccn3nc(C(C)(C)C)cc23)C1=O 892799548 FJSOPPVUONZXRM-NSHDSACASA-N 301.394 2.060 0 50 DEAA CC(C)[C@H]1CN(C(=O)NCCc2ccccc2)C[C@@H]1N(C)C 1565509041 WYTKCBOBENYVBV-SJORKVTESA-N 303.450 2.457 0 50 DEAA Cc1nn(C)cc1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C 408473838 LYKFWGRLRPSSPZ-CZUORRHYSA-N 312.417 2.435 0 50 DEAA Cc1ccc(C(=O)N2CC(C)(C)O[C@](C)(C(F)(F)F)C2)nn1 412364416 OVQGXPOVQQKYED-ZDUSSCGKSA-N 317.311 2.357 0 50 DEAA CC[C@H](NC1CCN(CC(=O)NC)CC1)c1cccc(F)c1 186839934 XZUAATSQYKZNES-INIZCTEOSA-N 307.413 2.077 0 50 DEAA CCc1cccc2c1OCC[C@@H]2NC(=O)CC1OCCCO1 280366749 UWFYCRTUJJRBSS-AWEZNQCLSA-N 305.374 2.342 0 50 DEAA C[C@@H]1CN(C(=O)NCc2c(C3CCC3)cnn2C)CCCO1 666865427 OFHBPHUNITXJTJ-GFCCVEGCSA-N 306.410 2.008 0 50 DEAA CCc1nnc(Oc2ccc(O[C@H](C)C(N)=O)cc2)nc1CC 192121942 KWVGNGQDGJVFAN-SNVBAGLBSA-N 316.361 2.041 0 50 DEAA 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Cc1ccc(NC(=O)[C@@H](C)NC(=O)C(=O)c2ccco2)c(F)c1 67820651 VCIHMOYUIUXZHZ-SNVBAGLBSA-N 318.304 2.053 0 50 DEAA Cn1cnc2cc(C(=O)NC[C@H]3NCCc4ccccc43)ccc21 423675583 QIQCSRGYZYPOIT-QGZVFWFLSA-N 320.396 2.190 0 50 DEAA CCc1ncc2c(n1)CN(C(=O)CC[C@H](C)N1CCCC1)C2 67820034 UTFMQHDDGPYWPH-ZDUSSCGKSA-N 302.422 2.146 0 50 DEAA CCN(CCCN1CCCC1)C(=O)NCCN1CCC[C@@H](C)C1 252498788 RLBIGAHYYACBKI-QGZVFWFLSA-N 324.513 2.236 0 50 DEAA C[C@@H]1C[C@@H]1c1ccc(CN2CCC[C@H]2c2nc(C(N)=O)no2)o1 328650641 VPKNZOZXZWNRSX-USWWRNFRSA-N 316.361 2.222 0 50 DEAA CCn1c(S)nnc1-c1ccc(=O)n(Cc2ccccc2)c1 3052136 XBDSEZHUPVZMAO-UHFFFAOYSA-N 312.398 2.464 0 50 DEAA Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CCCc3c[nH]nc32)no1 332805224 HZSMQLWBXWILPB-VXGBXAGGSA-N 316.365 2.025 0 50 DEAA CC(=O)c1cccc(CN2CCC(N3CCC(O)CC3)CC2)c1 72481544 SXSLYVJEHUSGGW-UHFFFAOYSA-N 316.445 2.310 0 50 DEAA CC1(C)CN(C(=O)c2cncnc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 282190536 KZBYXFVOUNDALT-IFIJOSMWSA-N 301.390 2.286 0 50 DEAA Cc1nn(C)c(C)c1C(=O)N(C)[C@H](C)Cc1ccc(O)cc1 330441204 SFKYHBYQSAMEGK-LLVKDONJSA-N 301.390 2.446 0 50 DEAA CN(C(=O)Cc1ccccc1C(F)(F)F)C1CCNCC1 237083570 KAICTTIEONTPDS-UHFFFAOYSA-N 300.324 2.458 0 50 DEAA CN(C)C1CCN(c2ncnn3c(Br)ccc23)CC1 253429832 UYFXNNSEYPUUQC-UHFFFAOYSA-N 324.226 2.022 0 50 DEAA COc1ccc2[nH]cc(CC(=O)N(C)[C@@H]3CCCN(C)C3)c2c1 153793466 SGGGQFIFXUJXSO-CQSZACIVSA-N 315.417 2.272 0 50 DEAA CN1C[C@@]2(CCCN(Cc3ccc(O)cc3Cl)C2)OC1=O 72409753 GHIMAUSBQPQJAA-OAHLLOKOSA-N 310.781 2.462 0 50 DEAA COc1ccccc1CN1CCCC[C@H]1CCS(C)(=O)=O 367833897 TUIPBQBSKRZHNL-HNNXBMFYSA-N 311.447 2.484 0 50 DEAA O=C(NOCc1ccccc1)N1CC[C@@H](CN2CCCC2)C1 174238864 KOMJBMPZWITVJW-INIZCTEOSA-N 303.406 2.246 0 50 DEAA OCCOc1cccc(CN2CC[C@H](N3CCCCC3)C2)c1 216423785 UFUIDBOHRWACEJ-KRWDZBQOSA-N 304.434 2.118 0 50 DEAA CN(C)c1ccnc(C(=O)N2CC[C@H](Cc3ccncc3)C2)c1 374666584 WTYYVLYVKDXCJJ-OAHLLOKOSA-N 310.401 2.247 0 50 DEAA CN(C(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1)C1CCCC1 241795476 RZMPXLHKEUESOE-CVEARBPZSA-N 320.437 2.302 0 50 DEAA Cc1cscc1CNC(=O)N1CCOC[C@H]1[C@H]1CCCO1 376521196 YXWFBXKIATWABZ-UONOGXRCSA-N 310.419 2.146 0 50 DEAA O=C(O)CCCNC(=O)N[C@@H]1CCCOc2ccc(F)cc21 263097477 WCGWQVGYIOQJQG-GFCCVEGCSA-N 310.325 2.203 0 50 DEAA Cn1cccc1C(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1 82147799 SWGRDVRPHZAPMJ-UHFFFAOYSA-N 317.776 2.168 0 50 DEAA CCn1cnc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)n1 48428306 HNYQLCOLTBFLIS-GFCCVEGCSA-N 303.341 2.459 0 50 DEAA CCOCCC(=O)N1CCC[C@H](c2nccn2CC2CC2)C1 82120703 QPJXBKLOWDCDBE-HNNXBMFYSA-N 305.422 2.426 0 50 DEAA O=C(NCCCn1ccccc1=O)C1=Cc2ccccc2OC=C1 221398282 XXMPCSLDBCABFX-UHFFFAOYSA-N 322.364 2.344 0 50 DEAA c1ccc(OCCN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 195520689 YVALBRYZWMJTPI-OAHLLOKOSA-N 312.417 2.483 0 50 DEAA COc1cccc2c(C)c(C(=O)N3CC[C@H](C(=O)O)C3)oc12 237347782 RUQUDWPFRKUFBE-JTQLQIEISA-N 303.314 2.297 0 50 DEAA COc1nc2c(cc1C(=O)N(C)Cc1snnc1C)CCC2 91468409 GHVGDNLWFSUBDB-UHFFFAOYSA-N 318.402 2.011 0 50 DEAA CN1CCN(C(=O)c2ccnc(-c3cc(F)ccc3F)c2)CC1 97243656 MCNUVHJGPBQUPF-UHFFFAOYSA-N 317.339 2.414 0 50 DEAA C[C@@H]1CNCCN1C(=O)CSc1cn(C)c2ccccc12 96162011 CNJCBHHBIBMLPU-GFCCVEGCSA-N 303.431 2.091 0 50 DEAA CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 181172699 GLBFIMZAANJDDD-OAHLLOKOSA-N 313.405 2.234 0 50 DEAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1ccc(Cl)o1 241081925 YSPOXXLEQFCKLU-XQQFMLRXSA-N 320.776 2.440 0 50 DEAA c1nc(CN(Cc2cocn2)Cc2nnc(C3CC3)o2)co1 244873012 WILGHYFDOUUMQE-UHFFFAOYSA-N 301.306 2.125 0 50 DEAA c1cncc(-c2noc(-c3cncnc3NC[C@H]3CCCO3)n2)c1 263618909 WCIDIQZHTWHVAB-GFCCVEGCSA-N 324.344 2.180 0 50 DEAA O=C(C[C@H]1CCOC1)NCCOc1cccc2cccnc12 534635539 QJYQXCBYSJKQSL-CYBMUJFWSA-N 300.358 2.156 0 50 DEAA COCc1cccc(C(=O)NCc2nc(C(C)(C)C)no2)c1 299787242 VPNAXTQMVKLGSX-UHFFFAOYSA-N 303.362 2.444 0 50 DEAA CC(C)Cc1noc(CN2CCc3ccccc3[C@@H]2CO)n1 268475643 JHCYMNBUDLWNTA-HNNXBMFYSA-N 301.390 2.360 0 50 DEAA Cn1ccnc1NC(=O)CCSc1ccc2c(c1)OCCO2 562713315 FPDQIIHCQOKPRE-UHFFFAOYSA-N 319.386 2.312 0 50 DEAA Cc1nc(C)c(C(=O)NCCCSc2nnc(C)s2)o1 825296732 JSXOJJXTXMGMOY-UHFFFAOYSA-N 312.420 2.364 0 50 DEAA NCc1ccc(CNC(=O)NCCSC(F)(F)F)cc1 827458075 LRVAUWPNBRPVBV-UHFFFAOYSA-N 307.341 2.198 0 50 DEAA Cn1cc([C@H](O)CN[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)cn1 863982349 DVUYFXSEVZQPLC-KFWWJZLASA-N 307.438 2.169 0 50 DEAA OCc1nc(Cl)c(O)c(I)c1Cl 66054350 FUULUSWRAABWGU-UHFFFAOYSA-N 319.913 2.191 0 50 DEAA in-vitro CCOC(=O)c1[nH]cnc1CN=c1cc[nH]cc1C(F)(F)F 952878557 ARGVCWVBBFRYAS-UHFFFAOYSA-N 314.267 2.034 0 50 DEAA OC[C@H]1CN(c2ccc3ccc(OC(F)F)cc3n2)CCO1 1875299694 SLPMEKQNIYSQTP-GFCCVEGCSA-N 310.300 2.034 0 50 DEAA C=CC(=O)N(Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@@H]1CCOC1 1875376500 ZBRZUGNUUUPUBJ-IUODEOHRSA-N 317.385 2.322 0 50 DEAA Cn1nc(C2CCC2)cc1C(=O)N[C@@H]1[C@H]2CC[C@@H]1C[C@H](CO)C2 1875321636 PJVDQOBPXIKFNU-GYTYMIJWSA-N 317.433 2.215 0 50 DEAA CS(=O)(=O)NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 1875390967 QWKWGZDOMWFGCX-UHFFFAOYSA-N 310.762 2.091 0 50 DEAA C=CC(=O)Nc1cccc(C(=O)N2CC[C@@H]3OCC[C@@H]3C2)c1 869072076 SSGHDILYSLFVAO-HIFRSBDPSA-N 300.358 2.062 0 50 DEAA O=C1O[C@H]2CN(C3CCCC3)C[C@H]2N1CCc1ccccn1 1565526844 XDRRZNNHDJSNFE-CVEARBPZSA-N 301.390 2.072 0 50 DEAA CC(C)(C)n1nccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 186454366 ZIOWJEYZVYRIIW-DZGCQCFKSA-N 314.389 2.418 0 50 DEAA COc1ccccc1CC(=O)NCc1ccnc(-n2cccn2)c1 170605829 WRXMCSHMEMYMNE-UHFFFAOYSA-N 322.368 2.135 0 50 DEAA Cc1ccc(C)c(CS(=O)(=O)NC(=O)c2csnc2C)c1 170612243 ORJNCWATWZLAJW-UHFFFAOYSA-N 324.427 2.328 0 50 DEAA Cc1ncc2c(n1)CC[C@H](NC(=O)c1ccc3cccnc3n1)C2 666031410 PDIGEWAFOCLZHK-AWEZNQCLSA-N 319.368 2.016 0 50 DEAA CC(C)(N)C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 638850867 HVSNNQSAGSYCLS-MRXNPFEDSA-N 303.450 2.285 0 50 DEAA O=C(Nc1cc2ccccn2n1)N1CCC[C@@](O)(C2CC2)C1 667075797 GDYVYGYLYKFSJN-INIZCTEOSA-N 300.362 2.103 0 50 DEAA O=C1C[C@H](C(=O)NCc2ccc3nc[nH]c3c2)C2(CCCC2)O1 1506416922 GXBBVLKPWMRYLU-GFCCVEGCSA-N 313.357 2.055 0 50 DEAA COCC[C@@](C)(O)CNc1nnc(SC(F)(F)F)s1 1615550088 KXRQOGWTJXCWKY-MRVPVSSYSA-N 317.358 2.349 0 50 DEAA CCOc1cccc(-c2noc([C@]34CNC[C@H]3CCOC4)n2)c1 1615617530 BJZCEYZIBVIVLT-DYVFJYSZSA-N 315.373 2.013 0 50 DEAA Cc1conc1CNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 1616037224 CUDQRGQXPGJXEB-QWHCGFSZSA-N 314.341 2.174 0 50 DEAA COc1ccc2[nH]c(C(=O)N3CCC[C@H]3C3(O)CC3)cc2c1 1772805018 GJZJCKOHXOWUDI-HNNXBMFYSA-N 300.358 2.306 0 50 DEAA COc1ccccc1OC1CCN(CC[C@H]2COCCO2)CC1 1775980994 NAQNUVQCUULTBM-INIZCTEOSA-N 321.417 2.344 0 50 DEAA CCN(CC)c1nc(NN)nc(Nc2cc(C)ccc2C)n1 5250252 KSDQEQHGSZGJMJ-UHFFFAOYSA-N 301.398 2.364 0 50 DEAA CCn1c(SCC(=O)NC2CC2)nnc1-c1ccccc1O 15019389 RQEXAZQQPFXPMJ-UHFFFAOYSA-N 318.402 2.041 0 50 DEAA CC(C)CN1CC[C@@H](CNC(=O)N(C)Cc2ccccn2)C1 150754440 FDINYBJHNZNRJG-HNNXBMFYSA-N 304.438 2.201 0 50 DEAA Cc1cnccc1[C@@H](C)NCc1cccnc1N1CCOCC1 1857528947 BZTDBZFKVZKPLR-OAHLLOKOSA-N 312.417 2.472 0 50 DEAA CN1CCO[C@@H](Cn2ccnc2-c2ccc(-n3ccnc3)cc2)C1 1857680371 LOJJLBYPNJNDIL-QGZVFWFLSA-N 323.400 2.066 0 50 DEAA CC[C@H]1C[C@@H](O)CC2(CCN(c3ncc(Cl)cn3)CC2)O1 1857697124 WFWLCZZFNHRDIN-OLZOCXBDSA-N 311.813 2.419 0 50 DEAA COc1cc(-c2nccn2[C@H]2CCN(C)C2)cc2c1OCO2 1857700655 ZKEWOIVQGVCJAF-LBPRGKRZSA-N 301.346 2.164 0 50 DEAA C[C@@H]1CN(c2noc(C3CC3)n2)CCN1c1ccc(F)cn1 1857707169 HEEHIRVTUWXVBC-SNVBAGLBSA-N 303.341 2.196 0 50 DEAA COc1cccc([C@@H]2C[C@@H](O)CN2c2ncc(Cl)cn2)c1 225700329 HRZBQJJCPFUENX-OCCSQVGLSA-N 305.765 2.451 0 50 DEAA Cc1ccccc1CC(=O)N(CCC(=O)O)C[C@@H]1CCCO1 237710218 NNXCQMRWEDACCD-HNNXBMFYSA-N 305.374 2.020 0 50 DEAA CC(=O)Nc1ccc(OC[C@H](O)CN2CCC(C)CC2)cc1 4280274 DDRZTQYNAAAJIL-MRXNPFEDSA-N 306.406 2.117 0 50 DEAA CN(C)CCN(Cc1ccsc1)C(=O)[C@@H]1CCC[C@H](O)C1 458217785 GQOVOZMIYCATNZ-CABCVRRESA-N 310.463 2.189 0 50 DEAA CN(C(=O)CN1CCC[C@H]1c1nc2c(n1C)CCCC2)C1CC1 344387091 SLKBVRGHARJGRG-INIZCTEOSA-N 316.449 2.057 0 50 DEAA O=C(O)[C@H]1CN(C(=O)CCCOc2ccccc2)C[C@@H]1C1CC1 262284243 ZMPVESDOTIMPJW-CVEARBPZSA-N 317.385 2.415 0 50 DEAA O=C(N[C@@H](C(=O)O)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1O2 263185978 WSMVXXRKVXQRMI-YVECIDJPSA-N 309.749 2.149 0 50 DEAA Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1nnc[nH]1 162742431 YBTFAWWRERYOQC-UHFFFAOYSA-N 302.725 2.205 0 50 DEAA Cc1cc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)ccn1 818146134 OTFDJSJCDPZADS-QGZVFWFLSA-N 314.389 2.224 0 50 DEAA Cc1cccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)c1Cl 1704336231 WIINVDAFGSQVCY-OLZOCXBDSA-N 308.809 2.051 0 50 DEAA CCc1csc([C@@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)C)n1 823542868 LNORCZDWNHFVCF-VHSXEESVSA-N 311.451 2.434 0 50 DEAA Nc1ccnc2c1CN(Cc1nccn1Cc1ccccc1)CC2 931510904 HSQJIEYDSCNLRZ-UHFFFAOYSA-N 319.412 2.467 0 50 DEAA O=C(NCC12CC3CC(CC(C3)C1)C2)c1nc2ncccn2n1 4101723 NGGJFOXGQDZMMN-UHFFFAOYSA-N 311.389 2.071 0 50 DEAA CCn1c(SCC(=O)Cc2ccc(Cl)cc2)n[nH]c1=N 2325799550 HJWXLRMDDBXWRW-UHFFFAOYSA-N 310.810 2.268 0 50 DEAA CC[C@@H](C)C(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O 2325811260 JATVOWCDBMOORD-TZMCWYRMSA-N 308.422 2.042 0 50 DEAA O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)NC2=O 469362 KITMJJAIOSPSOM-UHFFFAOYSA-N 314.728 2.405 0 50 DEAA COc1ccc(NC(=S)NCc2cc(C)n(C)n2)cc1OC 2852387 DOFTYULOTQSCDL-UHFFFAOYSA-N 320.418 2.232 0 50 DEAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OC)c1Cl 4542589 JATGSRDAKXDVRB-LBPRGKRZSA-N 310.737 2.150 0 50 DEAA Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](c3cccs3)C2)on1 247444807 ONHGIPWKKFMLGZ-NWDGAFQWSA-N 321.402 2.445 0 50 DEAA O=C1[C@H]2[C@H](C(=O)N1c1ccc3c(c1)OCO3)[C@H]1C=C[C@H]2C12CC2 104319616 ZGPBKMNGWPVKJX-YIKOMLBNSA-N 309.321 2.117 0 50 DEAA COCCN1C(=O)c2ccccc2[C@H](C(=O)O)C12CCCC2 26511207 NQJLEFPWJXQZDX-CQSZACIVSA-N 303.358 2.270 0 50 DEAA biogenic Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)O 67946626 NAFLTCQMJYHWNN-CQSZACIVSA-N 312.329 2.064 0 50 DEAA CC[C@H]1CCCCN1C(=O)Cn1cnc2c(F)cccc2c1=O 919428292 ZZIPYHAPOJFEPZ-LBPRGKRZSA-N 317.364 2.327 0 50 DEAA O[C@H](CN1CCC[C@@H](c2nnc3n2CCC3)C1)c1ccccc1 249856919 DLTLHHAMCZZVPX-HZPDHXFCSA-N 312.417 2.137 0 50 DEAA OC1CCN(c2ccnc(-c3ccc(-c4ccn[nH]4)cc3)n2)CC1 65369824 IDTSQAIPSCUIJR-UHFFFAOYSA-N 321.384 2.495 0 50 DEAA CCOC(=O)c1cccc(NS(=O)(=O)N2CCCCC2)c1 28580426 DXOXWJDVLUFFAG-UHFFFAOYSA-N 312.391 2.006 0 50 DEAA CCOC(=O)N1CCN(C2CCC3(CCNCC3)CC2)CC1 67842590 VIPNIEDIXIRDTG-UHFFFAOYSA-N 309.454 2.073 0 50 DEAA Cc1nnc([C@H]2COCCN2C(=O)[C@H](C)c2ccsc2)o1 328613828 UHVOMQKKBCACRP-BXKDBHETSA-N 307.375 2.143 0 50 DEAA COCc1nc2n(n1)C[C@H](N[C@@H]1CCCC13CCCC3)CC2 328801826 AMABJROEHIIKTB-ZIAGYGMSSA-N 304.438 2.442 0 50 DEAA Cc1cccc(-n2nnc(C(=O)N3CCCCCO3)c2C)c1 329977563 GFYITNWPTPQPPJ-UHFFFAOYSA-N 300.362 2.442 0 50 DEAA CN(Cc1cnc(C2CCCCC2)nc1)C[C@H]1COCCO1 215105488 HEKGTBHNDAHJCC-INIZCTEOSA-N 305.422 2.372 0 50 DEAA Cc1cc(F)ccc1CN(C)c1ccnc(N2CCOCC2)n1 362956320 XYXVVVVWCYXHCI-UHFFFAOYSA-N 316.380 2.397 0 50 DEAA CN(Cc1ccc(N(C)C)nc1)Cc1nc(-c2ccccn2)no1 77408317 NGFDJQHCYVRLLX-UHFFFAOYSA-N 324.388 2.225 0 50 DEAA C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C 365596442 TUEJAZDOXHMLLQ-LZLYRXPVSA-N 316.445 2.187 0 50 DEAA CCC[C@H](NC(=O)c1cc(Cl)ncc1Cl)c1nnn[nH]1 155763658 SPXWFPIQLBRPPJ-QMMMGPOBSA-N 315.164 2.173 0 50 DEAA CC[C@H](N[C@@H]1CS[C@@H](C(C)(C)C)C1)C(=O)N1CCOCC1 488411746 KQWCDCVJIQJWRM-MELADBBJSA-N 314.495 2.134 0 50 DEAA Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cn(C)nc2C)C1 286885798 NCWQRUMZKRDDTG-CQSZACIVSA-N 319.430 2.215 0 50 DEAA O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCC[C@](F)(CO)C1 376409777 AGZTUAFWGNEMIX-MRXNPFEDSA-N 321.327 2.152 0 50 DEAA CC[C@H](C(=O)N[C@@H](C)[C@H]1COc2ccccc21)N1CCCC1=O 240894789 IPWCAHVUCOFXFU-NWANDNLSSA-N 316.401 2.068 0 50 DEAA COc1cccnc1CC(=O)NCCO[C@@H]1CCCC[C@H]1C 241719888 QQNGCKKAOHOQDE-UKRRQHHQSA-N 306.406 2.344 0 50 DEAA Cc1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3C)CC2)cc1 175496490 KTPVFVCRUOIXFM-UHFFFAOYSA-N 311.385 2.230 0 50 DEAA C[C@H]1Cc2cc(C(=O)N3CCC(c4ncon4)CC3)ccc2O1 426621874 XXNHLTNBROTZMP-NSHDSACASA-N 313.357 2.413 0 50 DEAA Cc1cccc(CC(=O)NCc2ccc(C(=O)N(C)C)o2)c1 222522036 YSSFXLQDCJRSEF-UHFFFAOYSA-N 300.358 2.149 0 50 DEAA CN(C(=O)c1csc(Cc2ccccc2F)n1)[C@@H]1CCNC1 179052253 WWDWUVJCVDAJCV-GFCCVEGCSA-N 319.405 2.307 0 50 DEAA CCCc1ncncc1C(=O)N1CCN[C@H](c2ccccc2)C1 97480524 KCPLKXQLNPBFIU-KRWDZBQOSA-N 310.401 2.216 0 50 DEAA Cc1nc(C(F)(F)F)ccc1C(=O)NC1(C(=O)O)CCC1 237565961 ZUIUCLSOUOCCGX-UHFFFAOYSA-N 302.252 2.146 0 50 DEAA O=C(O)[C@H]1[C@H](C(=O)Nc2cccc3ccccc23)[C@H]2C=C[C@H]1O2 239203340 SEAHFCIVWJGXHU-KLHDSHLOSA-N 309.321 2.433 0 50 DEAA CN(C(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)C1CCCCC1 299743028 LQGCTHBBCYQUIM-BMFZPTHFSA-N 322.449 2.495 0 50 DEAA Cc1cnc(C)c(N2CCCN(C(=O)c3ccoc3)CC2)n1 365975858 MRPNHCXGVDBOFY-UHFFFAOYSA-N 300.362 2.039 0 50 DEAA Cn1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 268567402 HEKIMXWKJWLTOO-UHFFFAOYSA-N 311.385 2.060 0 50 DEAA O=C(N[C@@H]1CCOc2ccc(F)cc21)[C@H]1CC(C2CC2)=NO1 1875293046 AMJWXPFJYVNAFA-IUODEOHRSA-N 304.321 2.320 0 50 DEAA O=C(NC[C@H]1CCCN(C(=O)c2cscn2)C1)c1ccoc1 952984987 ZSWHNWWCTGTICF-LLVKDONJSA-N 319.386 2.018 0 50 DEAA Cc1n[nH]c(C)c1CNC[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1 886081978 PCAHMAHLMNFFRD-JSGCOSHPSA-N 317.393 2.154 0 50 DEAA O=C(/C=C/c1c(F)cccc1F)NCC[C@H]1CSCCN1 888096280 ROFQEHJUZWZODY-ZWNMCFTASA-N 312.385 2.189 0 50 DEAA COc1ccc([C@@H]2CCN(c3nc(N)nc(C4CC4)n3)C2)cc1 892193903 AKEIKVFUSMOUEL-CYBMUJFWSA-N 311.389 2.334 0 50 DEAA O=C(CN1Cc2ccccc2C1=O)OC[C@H]1CCC2(CCC2)O1 1774655752 TUYBUFSJEVSLBM-CQSZACIVSA-N 315.369 2.287 0 50 DEAA COC(=O)c1cc2cc(CNCCn3cc(C)cn3)sc2[nH]1 1775987873 DNSVOXNOEUMQSW-UHFFFAOYSA-N 318.402 2.311 0 50 DEAA COc1cccc(CCNC[C@@H]2CCO[C@H]2c2nccn2C)c1 667789545 RDWAECRKNPFYRS-DOTOQJQBSA-N 315.417 2.339 0 50 DEAA Cc1c(NC(=O)NC2CC(C)C2)c(=O)n(-c2ccccc2)n1C 170014333 KHQSZFCEROIBHD-UHFFFAOYSA-N 314.389 2.404 0 50 DEAA C[C@@H]1C[C@H](O)CCN1CC(=O)Nc1ccccc1OC(F)F 170090286 HCAJKLMXUGIKRH-GHMZBOCLSA-N 314.332 2.072 0 50 DEAA O=C(NCc1cc(O)nc(O)n1)c1cc2c(s1)CCCCC2 633522514 WPRHRJRFPNWOBS-UHFFFAOYSA-N 319.386 2.148 0 50 DEAA Cc1ccc([C@@H]2CCN(C(=O)[C@@H](C)O[C@H](C)C(=O)O)C2)cc1 634944178 QEHKYPWQLGKORD-UMVBOHGHSA-N 305.374 2.189 0 50 DEAA COc1ccc2cc(CN3CC[C@](O)(c4cnn[nH]4)C3)ccc2c1 583617437 NRKHQRUJCDDCEY-GOSISDBHSA-N 324.384 2.060 0 50 DEAA Cn1ccnc1CC1CCN(C(=O)[C@H](O)C2CCCCC2)CC1 188590062 PZSPRMKYCCCHGS-QGZVFWFLSA-N 319.449 2.142 0 50 DEAA O=C(C1Cc2ccccc2C1)N1CCC[C@H](C2OCCO2)C1 585079437 TZPXROWDVAENEZ-HNNXBMFYSA-N 301.386 2.013 0 50 DEAA C[C@H]1CN(C(=O)Cc2ccn(C)n2)c2cccc(Cl)c2O1 189852268 DRWZTYGYCLPAJH-JTQLQIEISA-N 305.765 2.430 0 50 DEAA C[C@@H]1OCCN(C(=O)C(=O)Nc2cc(F)cc(Cl)c2)[C@H]1C 190044181 XMYRKWWSBOWYAK-IUCAKERBSA-N 314.744 2.053 0 50 DEAA CC[C@@H](C(=O)O)N1CCN(Cc2ccc(Cl)s2)CC1 191425785 QIVNMUXCZJEXLI-NSHDSACASA-N 302.827 2.382 0 50 DEAA C[C@@H]1CC(C)(C)C[C@@H]1NCC1CCN(S(C)(=O)=O)CC1 193128357 IKMYKZAUNSDDLS-OCCSQVGLSA-N 302.484 2.072 0 50 DEAA CCc1ccccc1CNC(=O)[C@@H]1CNC[C@H]1C(F)(F)F 653095099 ZXQRZJQLHBKHGU-CHWSQXEVSA-N 300.324 2.263 0 50 DEAA Cc1ccccc1CNC(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1 1073323376 LIHYFQVOTDJMGS-CABCVRRESA-N 302.374 2.247 0 50 DEAA CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@H]1C[C@@H](O)C1 665575718 GBFLGFGHYQBABJ-XBXGTLAGSA-N 313.401 2.423 0 50 DEAA Cc1nc([C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)no1 759518457 LFXMSJREMGQUBU-JQWIXIFHSA-N 315.329 2.035 0 50 DEAA O=C1CCC2(CCN([C@@H]3CCN(c4ccccc4)C3)CC2)CN1 1506407706 KYSZYLFDMHHNIA-QGZVFWFLSA-N 313.445 2.258 0 50 DEAA CN1CCC[C@]2(CO)CCN(Cc3cc(F)cc(F)c3)C[C@@H]12 1704299296 IFVSHOBWIVZBQV-IAGOWNOFSA-N 310.388 2.243 0 50 DEAA CCc1nc(N)nc(N2CC[C@@](O)(c3ccccc3C)C2)c1C 1704329303 PTPMOUFHOKGXPQ-SFHVURJKSA-N 312.417 2.336 0 50 DEAA CCc1nc(CN2C(=O)C[C@H](c3ccccc3C)NC2=O)no1 1615055500 CGKONQZSTZYDJR-GFCCVEGCSA-N 314.345 2.124 0 50 DEAA CCCc1nc(-c2noc([C@]3(C(C)C)CNC(=O)C3)n2)co1 1614998029 ZYCAXJVTSHYOJJ-HNNXBMFYSA-N 304.350 2.091 0 50 DEAA CCN(C(=O)c1cc(O)n(C)n1)[C@H]1CCCc2cccnc21 1615558118 LKPSXUQCMPLPNC-ZDUSSCGKSA-N 300.362 2.060 0 50 DEAA COc1ccc(CN2C[C@H](Cc3ccncc3)[C@@H](O)C2)cc1F 1616073272 GOKGORAOEZXOMN-RDJZCZTQSA-N 316.376 2.265 0 50 DEAA CCCS(=O)(=O)Nc1cc(Cl)cc(C(=O)OC)c1F 1772820625 DMTDWQBFWYDCSE-UHFFFAOYSA-N 309.746 2.417 0 50 DEAA O=C(O)c1ccc(F)c(S(=O)(=O)N2CCc3ccccc32)c1 13093587 KZBUZLIRSZKQGT-UHFFFAOYSA-N 321.329 2.275 0 50 DEAA Cn1cc(C2=C(c3cccc(N)c3)C(=O)NC2=O)c2ccccc21 13447860 RGTAEYDIDMGJLX-UHFFFAOYSA-N 317.348 2.328 0 50 DEAA in-vitro CCCOc1ccc(N2C[C@@H](C(=O)NC3CC3)CC2=O)cc1 13535797 ZRJDBWXNKJCXBG-LBPRGKRZSA-N 302.374 2.107 0 50 DEAA CN1CCCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 16552070 NLYLAAJBIRCWCF-UHFFFAOYSA-N 308.250 2.160 0 50 DEAA COc1nc2ccccc2cc1-c1nccc(N2CC[C@H](O)C2)n1 1875242800 CIJYYYCQRDAWIC-ZDUSSCGKSA-N 322.368 2.271 0 50 DEAA C[C@@H]1C[C@@H](NCc2ccc(Cl)cc2-n2cncn2)CCN1 414956820 VRQIEHBIVKTVEJ-RISCZKNCSA-N 305.813 2.151 0 50 DEAA Cc1ccc(C(=O)N2CC[C@H](C)S(=O)(=O)CC2)c(Cl)c1 328596072 QRFSZDWTTNAACC-NSHDSACASA-N 315.822 2.298 0 50 DEAA CCOc1nc(C)ccc1C(=O)NCc1ccnc(OC)c1 241371316 MMMINHKRLLNTOO-UHFFFAOYSA-N 301.346 2.122 0 50 DEAA C[C@@H](CN(C(=O)c1ccc2c(c1)CCOC2)C1CC1)C(=O)O 659143795 ZCCIEOPEOFKQHC-NSHDSACASA-N 303.358 2.085 0 50 DEAA Cn1ncc2c1CCCN(C(=O)Nc1cnn(C3CCC3)c1)C2 934306129 LFRYGKHBDQBVJW-UHFFFAOYSA-N 314.393 2.322 0 50 DEAA Cc1nn(CC(=O)Nc2cccc(O)c2)c(=O)c2ccccc12 85266 PMEIDZSRIYCVPS-UHFFFAOYSA-N 309.325 2.049 0 50 DEAA COC(=O)CCCn1ccc(NC(=O)Cc2cccs2)n1 4785085 KULRIGZNQMLTOF-UHFFFAOYSA-N 307.375 2.079 0 50 DEAA NCc1cn([C@H]2CCCN(Cc3cccc4ccncc34)C2)nn1 2325773038 LFUSULLVJJEYGX-KRWDZBQOSA-N 322.416 2.122 0 50 DEAA N[C@H]1CCCN(c2cnc(-c3cnc4cccnc4c3)cn2)C1 2325796863 XORLGRFNWWZNKQ-ZDUSSCGKSA-N 306.373 2.014 0 50 DEAA C[C@H]1[C@@H](C)[C@H](C(=O)NCc2ccc3cccnc3c2)[C@@H]1C(=O)O 2325815743 OUWHDDCRZFMSND-LZJQFABFSA-N 312.369 2.454 0 50 DEAA Cc1ccccc1C(=O)NC(=S)Nc1ccccc1C(N)=O 301922 OCGHSJGTXLMUQD-UHFFFAOYSA-N 313.382 2.221 0 50 DEAA COc1cc(C)c(S(=O)(=O)NCc2cccnc2)cc1C 309730 YNUWENJYPDQGOU-UHFFFAOYSA-N 306.387 2.186 0 50 DEAA Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)cc1 470835 BMJOYUQOQWGHEG-UHFFFAOYSA-N 324.446 2.112 0 50 DEAA CCc1oc(C(=O)N=c2cc(C)o[nH]2)cc1CN1CCCC1 2356134301 ITFQLKDNFDXCRR-UHFFFAOYSA-N 303.362 2.408 0 50 DEAA CC(C)(C)OC(=O)Nc1no[n+]([O-])c1NC(=O)OC(C)(C)C 3151790 OWAXDKQBIXQWET-UHFFFAOYSA-N 316.314 2.002 0 50 DEAA COc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1OC 4010843 KDNDUDJLTBDTDE-UHFFFAOYSA-N 300.236 2.269 0 50 DEAA CSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C)CC(=O)N2 4944186 NPWNETJDWZMQPQ-JTQLQIEISA-N 301.371 2.274 0 50 DEAA CC[C@H]1NC(=O)NC(C)=C1C(=O)NCc1ccc(Cl)s1 67872491 LMTDQRPRIBETHO-SECBINFHSA-N 313.810 2.383 0 50 DEAA NCCNCCCOc1ccc(Br)cc1Cl 20117842 HTKLHQNAHBENDX-UHFFFAOYSA-N 307.619 2.420 0 50 DEAA O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNC1CCC1 67833509 BPVXAJKJRFSZLP-IBGZPJMESA-N 316.445 2.115 0 50 DEAA O=c1n(CC2CCC2)nc([C@H]2CCCNC2)n1-c1ccccc1 67678632 CYUQYUFFWSONAF-HNNXBMFYSA-N 312.417 2.301 0 50 DEAA COCc1cn(C2CCN(C(=O)CC3=CCCCC3)CC2)nn1 23505155 ABYJRKCKBYOGGJ-UHFFFAOYSA-N 318.421 2.479 0 50 DEAA COc1cc(CN2CCN3CCC[C@H]3[C@@H]2C)cc(OC)c1OC 22587935 IPTLTOIJTRUJMR-ZFWWWQNUSA-N 320.433 2.381 0 50 DEAA CN1CC[C@H](NC(=O)[C@@H](O)Cc2ccccc2)[C@H]1c1ccccc1 253428500 IYFLGOCLNBYDDN-GBESFXJTSA-N 324.424 2.152 0 50 DEAA CSc1ncc(CNC(=O)[C@H](C)n2ccnc2C(C)C)n1C 65496513 QACNSJGQAFCVSP-NSHDSACASA-N 321.450 2.339 0 50 DEAA CCn1cnnc1CCNC(=O)c1cc2ccccc2s1 67561763 UWDPXYVLWPYNTP-UHFFFAOYSA-N 300.387 2.485 0 50 DEAA CCc1cc(-c2nc(-c3cnc4cnccn34)no2)cc(O)n1 350845069 FSLWHDHDNITHLT-UHFFFAOYSA-N 308.301 2.109 0 50 DEAA O=C(C[C@H]1COCCN1C[C@@H](O)c1ccccc1)c1ccco1 121043550 MZOQHVBNQDVTED-DOTOQJQBSA-N 315.369 2.287 0 50 DEAA CC(C)NC(=O)NC[C@H]1CCN(Cc2ccc(Cl)nc2)C1 67513741 PEDDTYLQDCERAV-CYBMUJFWSA-N 310.829 2.265 0 50 DEAA Cc1cc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)ncn1 328621244 HPRAMNPDULLEAG-WMLDXEAASA-N 314.437 2.038 0 50 DEAA COc1ccc(C)c2c1N(C(=O)[C@@H](C)n1cncn1)CCC2 171939008 AHGRCNLSVBXQQN-GFCCVEGCSA-N 300.362 2.136 0 50 DEAA C[C@H]1CC[C@@H](C)N1C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 252486939 PEHBOXOSWPLFEG-DJBIQUGXSA-N 320.414 2.090 0 50 DEAA O=C(CCc1cccc2ccccc12)NCCN1CCOCC1 67338890 JHABWXLWQJVGNU-UHFFFAOYSA-N 312.413 2.221 0 50 DEAA O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc2c(c1)OCO2 2800088 JVFPPXJKGINUCT-UHFFFAOYSA-N 322.324 2.307 0 50 DEAA CC[C@@H](C(=O)N1CC(c2nc3ccccc3[nH]2)C1)n1cccn1 219657435 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CCC[C@@H]1COCCN1C(=O)c1cc(=O)c2ccccc2o1 67855397 SSXYYACOWYLWBU-GFCCVEGCSA-N 301.342 2.434 0 50 DEAA CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)O)cc1 20130253 IOFOTJDXCGIJIB-UHFFFAOYSA-N 323.345 2.490 0 50 DEAA O=C(CO)N1CCc2onc(-c3cccc4ccccc34)c2C1 67983148 HNAPUTSJJMCSAH-UHFFFAOYSA-N 308.337 2.372 0 50 DEAA CC(C)CN1CC[C@H](CNC(=O)c2cccc3c2OCC3)C1 67560934 XPQHDFVYRIWLCG-CQSZACIVSA-N 302.418 2.329 0 50 DEAA CCc1cn[nH]c1C1CCN(c2nnnn2-c2ccccc2)CC1 67851480 YCAWABXCJIGLDA-UHFFFAOYSA-N 323.404 2.332 0 50 DEAA CC(C)Oc1cccc(CN2CCc3c(O)nn(C)c3C2)c1 822005567 BFIBQZWHLCIGME-UHFFFAOYSA-N 301.390 2.471 0 50 DEAA Cc1noc(COc2ccc(OCc3nc(C)no3)cc2)n1 288976 LCMXPLAGUSRWGG-UHFFFAOYSA-N 302.290 2.227 0 50 DEAA C[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1cnc(Cl)n1C 252677696 ZORHYBSRJNIVGD-KXUCPTDWSA-N 305.831 2.177 0 50 DEAA COc1c(C)cc(C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)cc1C 253392680 FLIBZFJLXSVJKP-ZHZULCJRSA-N 310.357 2.220 0 50 DEAA NC1=NC(=S)N[C@@H](c2ccc(OCc3ccccc3)cc2)N1 34926982 RKSNFYXFZHMUDV-AWEZNQCLSA-N 312.398 2.057 0 50 DEAA CC[C@@]1(O)CCN(C(=O)c2ccc3sccc3c2)C[C@H]1O 72433139 RQKRMWBYEVPIRX-GDBMZVCRSA-N 305.399 2.249 0 50 DEAA CCn1c([C@H]2CCCN2C(=O)[C@H]2CCNC2)nc2ccccc21 237002397 DXQRFNKQPJTZHB-XJKSGUPXSA-N 312.417 2.329 0 50 DEAA Cn1nccc1/C=C/C(=O)N1CC[C@]2(CCc3ccccc3O2)C1 365645589 MVYIICQGZQIOBX-OVKVCFKUSA-N 323.396 2.430 0 50 DEAA CC(C)CN1CCc2c(c(C(=O)NC3CCCC3)nn2C)C1 14732223 FHZSZHBQHYPPIM-UHFFFAOYSA-N 304.438 2.107 0 50 DEAA c1ccc(CN(CCOCC2CC2)[C@@H]2CCCNCC2)nc1 261660460 NRMGPZBOYDVYQQ-GOSISDBHSA-N 303.450 2.452 0 50 DEAA COC[C@@H]1CCCCN(C(=O)c2ccc(CNC(C)=O)cc2)C1 368767681 XBIFACFOMINGGL-MRXNPFEDSA-N 318.417 2.211 0 50 DEAA Cn1cc([C@H](O)C[C@@H]2CCCN2C[C@H](O)c2ccccc2)cn1 369229121 RXKBWXSSDQPENT-KSZLIROESA-N 315.417 2.042 0 50 DEAA Cc1nn(C)c(Oc2cccnc2)c1CNC[C@H]1CCCOC1 237838222 XXXHNJAOMXZLNU-CQSZACIVSA-N 316.405 2.432 0 50 DEAA c1coc([C@@H]2COCCN2Cc2nnc3n2CCCCC3)c1 604888529 XFXWXXRZLIGRJG-ZDUSSCGKSA-N 302.378 2.171 0 50 DEAA O=C(O)c1ccc(CCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 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50 DEAA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)n[nH]1 91849166 HGALPCFKDDYMDU-IAGOWNOFSA-N 324.428 2.455 0 50 DEAA O=C(Cc1cscn1)NCc1noc(Cc2cccs2)n1 96152837 FSEIWQHFQPQSQZ-UHFFFAOYSA-N 320.399 2.037 0 50 DEAA CC1(C)CCN(Cc2c(F)ccc(O)c2F)CCS1(=O)=O 294500192 BMEHYZCWFJTUDM-UHFFFAOYSA-N 319.373 2.070 0 50 DEAA COCCN1C[C@H]2CC[C@@H]1CN(CCOc1ccc(F)cc1)C2 91586721 SKYHUHLYJYEJBQ-DOTOQJQBSA-N 322.424 2.247 0 50 DEAA Cc1nc(C(=O)NC2(C(=O)N(C)C)CCCCC2)c(C)s1 296872718 JZRBRXFHXLQULV-UHFFFAOYSA-N 309.435 2.281 0 50 DEAA O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)C1CCC1 244893056 YUQBZVDRVUGYCS-HLLBOEOZSA-N 301.386 2.350 0 50 DEAA N[C@@H]1CCC[C@H]1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl 299738975 JDRBSXDAXWLKPK-FXAINCCUSA-N 317.216 2.270 0 50 DEAA C[C@H](NC(=O)N1CCCNC(=O)C1)c1ccc2c(c1)CCCC2 534590637 DJIZHRWUKRJVIY-ZDUSSCGKSA-N 315.417 2.158 0 50 DEAA Cc1ccc([C@H](CNC(=O)CCc2cn[nH]c2)N(C)C)cc1 299759333 GGJYOCAMKPMCJQ-INIZCTEOSA-N 300.406 2.070 0 50 DEAA O=C(O)[C@@H]1[C@H](C(=O)NCCc2ccccc2)[C@H]2C=C[C@H]1C21CC1 584904448 QZEPDIAFRXIPRO-FPCVCCKLSA-N 311.381 2.258 0 50 DEAA CCCc1ccc(OCCNC(=O)c2cnc(C)nc2O)cc1 670438001 HQBWYJQQXZMYPO-UHFFFAOYSA-N 315.373 2.252 0 50 DEAA COc1ccnc(CN(C)Cc2noc(C3CCC3)n2)c1OC 670462918 MZNGHYQWUJURDM-UHFFFAOYSA-N 318.377 2.381 0 50 DEAA COc1cccnc1N1C[C@@H]2CCC[C@]2(c2nc(C)no2)C1 685940725 SGHDHZXSZCUKDO-LRDDRELGSA-N 300.362 2.340 0 50 DEAA O=C(O)c1ccc(-n2cccn2)c(I)c1 953065859 YVUNWFPMFNIHQC-UHFFFAOYSA-N 314.082 2.175 0 50 DEAA CC1(C)NC(=O)O[C@@]12CCN(Cc1cccc3[nH]ncc13)C2 1875299211 CZEZTGPPWJWXQB-MRXNPFEDSA-N 300.362 2.026 0 50 DEAA COC(=O)/C=C/C(=O)N[C@@H](CC1CCCCC1)c1ncccn1 1875380086 DUMVBBPYDBICPV-VFNNOXKTSA-N 317.389 2.334 0 50 DEAA C[C@@H]1CCN(C(=O)c2c[nH]c(-c3ccccc3)c2)[C@@H](C(N)=O)C1 1875300999 ZLOVNVXMJXBBEI-MLGOLLRUSA-N 311.385 2.408 0 50 DEAA C[C@@H]1Cc2ccccc2[C@@H]1N1C(=O)N[C@H](C[C@@H]2CCOC2)C1=O 1875308206 URKNVMXCWVOBDQ-NOXHYTERSA-N 314.385 2.267 0 50 DEAA C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1[C@@H](C)C[C@@H]1CO 1875302709 CZZLPPGMJXCJBC-GARJFASQSA-N 317.307 2.454 0 50 DEAA O=C(C1CCC1)N1CCC[C@@H](n2c(O)nc3cccnc32)C1 1875329379 SSFOXTVTOGOFSS-GFCCVEGCSA-N 300.362 2.101 0 50 DEAA Oc1n[nH]c([C@H]2[C@H](C3CC3)CCN2c2ncnc3ccccc23)n1 1875400047 PVIPQQHXUVQPQV-SMDDNHRTSA-N 322.372 2.431 0 50 DEAA Cc1cc(=O)c(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)c[nH]1 952967864 CWCICDGORBBIAL-MRXNPFEDSA-N 322.368 2.051 0 50 DEAA CC(=O)N[C@@H]1C[C@@H]1Nc1nc(C(F)(F)F)nc2ccccc12 1775988484 IDJXJCWXHOCVDV-MNOVXSKESA-N 310.279 2.338 0 50 DEAA O=C(c1cccc(C(=O)N2CCn3nccc32)c1)N1CCCCC1 1775999915 ZMZYPFYPOISDLR-UHFFFAOYSA-N 324.384 2.170 0 50 DEAA Cc1cc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)on1 1565516415 LMNCLHNCZBPTES-CABCVRRESA-N 316.357 2.062 0 50 DEAA CCc1ncnc(Sc2nnnn2Cc2cccs2)c1F 270926136 JWXMUXNREYSVOU-UHFFFAOYSA-N 322.394 2.426 0 50 DEAA Cc1ccc2cccnc2c1S(=O)(=O)NC(=O)[C@H]1CC1(C)C 408446568 MYCVWYMIFAGYBD-GFCCVEGCSA-N 318.398 2.394 0 50 DEAA COC1CCN(c2ccc3ncc(Br)n3n2)CC1 408518747 XRRXQPLQHMJOCC-UHFFFAOYSA-N 311.183 2.107 0 50 DEAA Cc1cnc(C)c(NCc2ccccc2CN2CC[C@@H](O)C2)n1 273906997 WXDZCLIZMZUONL-QGZVFWFLSA-N 312.417 2.272 0 50 DEAA CCc1ccc(CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)s1 275262801 IFAJQRHABYWWAJ-LLVKDONJSA-N 319.430 2.478 0 50 DEAA CC(=O)N(C[C@@H]1CCCN1C[C@@H](O)c1ccc(F)cc1)C1CC1 276339563 HBVVFFODJDKDDQ-ZWKOTPCHSA-N 320.408 2.334 0 50 DEAA Nc1nc(N)nc(CN2CC3(CCCC3)c3cccc(F)c32)n1 277500134 PKDHDJFRHPOFMW-UHFFFAOYSA-N 314.368 2.007 0 50 DEAA O=C(O)C[C@@H](NC(=O)COCC1CC1)c1ccc(F)cc1F 170592106 WAWFXPQXEZCPLP-CYBMUJFWSA-N 313.300 2.023 0 50 DEAA Cc1ncc(/C=C/C(=O)NCc2cccc(C(=O)O)c2)s1 170672211 ZMGUKLDUUCXGNE-AATRIKPKSA-N 302.355 2.479 0 50 DEAA COc1ccc2c(c1)OCCN(c1cc(NC3CC3)ncn1)C2 665717610 LWGBCWUDRAKCNU-UHFFFAOYSA-N 312.373 2.459 0 50 DEAA CC[C@H](C)CC(=O)N1CCN(Cc2nccn2C(F)F)CC1 190437767 WHPNYSOPQALWFD-LBPRGKRZSA-N 314.380 2.359 0 50 DEAA COCCCCCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529189928 BPXAYGWGHYEZAN-SJLPKXTDSA-N 321.417 2.154 0 50 DEAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3c(O)cccc3O)C[C@H]2C1 1704357842 YANGXRNTEWTYOC-KPWCQOOUSA-N 318.417 2.289 0 50 DEAA CC(C)c1ccc(CC(=O)N(CCO)Cc2cncn2C)cc1 1704305587 MAORVPOGWPMXEE-UHFFFAOYSA-N 315.417 2.107 0 50 DEAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(O)nc3)C1)CC2 1704343493 HZINFICYYYMKJX-GOSISDBHSA-N 324.384 2.006 0 50 DEAA COCc1cccc(-c2noc([C@]3(C(C)C)CNC(=O)C3)n2)c1 1614997966 HFMUWDKQWLLEKL-KRWDZBQOSA-N 315.373 2.297 0 50 DEAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccc(F)c(Cl)c1)C2 1772711564 ZZYKNXRCIDTGBU-ABAIWWIYSA-N 313.756 2.402 0 50 DEAA COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(C)CC(=O)[C@]2(C)C1 169690361 BMYHFWLOJVCQEQ-JFTQMJAMSA-N 313.353 2.190 0 50 DEAA COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CC[C@@H](C)C2 1792771 RSALICGIYNRVAK-HQZHTGGTSA-N 323.370 2.239 0 50 DEAA COc1cc(F)ccc1-c1nccn1C1CCS(=O)(=O)CC1 1857739860 WJGQQYCTJVMCEH-UHFFFAOYSA-N 324.377 2.448 0 50 DEAA C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 408069448 BLOHAFJECQLAHY-APIJFGDWSA-N 315.479 2.484 0 50 DEAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](CCO)CC2)c(F)c1 332300355 VGNAGDOFHMNKBO-CYBMUJFWSA-N 315.410 2.307 0 50 DEAA COC[C@@]1(C)CCN(C(=O)Cc2ccn(-c3ccccc3)n2)C1 650592840 DPUIMCQNDQHLAA-SFHVURJKSA-N 313.401 2.300 0 50 DEAA C[C@@]1(C2CCN(C/C=C/c3ccccc3)CC2)NC(=O)NC1=O 19812400 HFGRVSAADZMGFX-MOTZXUDYSA-N 313.401 2.010 0 50 DEAA COc1ccccc1[C@@H](C)NC(=O)CN1CCOC2(CCC2)C1 154297279 BMEPCNNODGECOP-CQSZACIVSA-N 318.417 2.127 0 50 DEAA Cc1cccc([C@H](NC(=O)[C@H](C)n2cccn2)C(=O)O)c1C 263157995 VFMBSYRRLLLQRN-JSGCOSHPSA-N 301.346 2.003 0 50 DEAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccc(C2CCC2)cc1 263225587 ADRISRJZFRYPAC-OAHLLOKOSA-N 303.358 2.270 0 50 DEAA O=C(c1nccc2cccnc12)N1CCC[C@@H]1Cn1ccnc1 827764495 JVYYCUSHMUNTPL-CQSZACIVSA-N 307.357 2.131 0 50 DEAA C[C@@H]1CN(CCNC(=O)Nc2ccc(C3CCC3)cn2)CCO1 931574267 MUWMJQJRAAEIHM-CYBMUJFWSA-N 318.421 2.191 0 50 DEAA CCc1[nH]ccc1C(=O)NC[C@@H]1CCCO[C@H]1c1nccn1C 858008746 XIAUZCGFKAMDSD-SWLSCSKDSA-N 316.405 2.208 0 50 DEAA CN1CC[C@H]2[C@@H](CCCN2c2ncncc2Br)C1 229959870 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CCc1nc2n(n1)C[C@@H](N[C@H](C)CCc1ccc(O)cc1)CC2 136400618 UHXGOEJSOPWGJO-HIFRSBDPSA-N 314.433 2.472 0 50 DEAA Cc1[nH]ncc1C(=O)NC1(c2ccc(F)cc2F)CCOCC1 179493138 QEDXTUWJWZHODU-UHFFFAOYSA-N 321.327 2.432 0 50 DEAA CC(=O)N[C@@H]1CN(c2nc(C)cnc2C)C[C@H]1c1ccc(C)o1 91858264 ULEPJGGTBVDMLL-HUUCEWRRSA-N 314.389 2.103 0 50 DEAA CC(C)=CC[C@]1(CO)CCCN(Cc2cn(CCO)nc2C)C1 92036956 SYYIUYCCECUUDG-GOSISDBHSA-N 321.465 2.115 0 50 DEAA O[C@@H]1COC2(CCN(Cc3ccc(OC(F)F)cc3)CC2)C1 97717064 BYZBJXBCOQMTIN-ZDUSSCGKSA-N 313.344 2.404 0 50 DEAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1ccc(F)cc1)C2 91829076 TWIFQBVCOMVURC-SWLSCSKDSA-N 305.353 2.300 0 50 DEAA CC(C)C[C@H]1COCCN1Cc1ccc(OCC(=O)O)cc1 97654052 SQSPHZJLAVDHIY-HNNXBMFYSA-N 307.390 2.397 0 50 DEAA Nc1ccc(Br)cc1C(=O)N[C@H]1CC[C@H](O)CC1 238899651 GYSFIGXUWOXHLB-MGCOHNPYSA-N 313.195 2.065 0 50 DEAA CC(C)(C)c1noc(Cn2cc(CCO)c(C(F)(F)F)n2)n1 180455572 KUEYWNKKHHQRAL-UHFFFAOYSA-N 318.299 2.166 0 50 DEAA COc1ccc(-n2ccnc2CN(C)Cc2cnccn2)cc1 97301229 AROTZFGKIWVNRQ-UHFFFAOYSA-N 309.373 2.303 0 50 DEAA c1cncc(-c2ccnc(NCc3cnn4cccnc34)n2)c1 97733047 AZQGPUCXFJXOSO-UHFFFAOYSA-N 303.329 2.193 0 50 DEAA CCc1nccn1CCC(=O)NC[C@@H]1COc2ccccc2C1 95522660 MCKULYLZMUBNCV-CQSZACIVSA-N 313.401 2.203 0 50 DEAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)CCc1ccccc1F 238085186 HOVQAFMMXXXLJJ-AWEZNQCLSA-N 323.364 2.241 0 50 DEAA CCn1cc(Cl)c(C(=O)N2CCN[C@@H](c3ccccc3)C2)n1 97773136 WPSJGYNSUHJOGT-CQSZACIVSA-N 318.808 2.343 0 50 DEAA O[C@H]1C[C@@H]([C@H](NC2CCOCC2)c2ccc3c(c2)CCO3)C1 252537396 LAQQMOCECWCWTH-UWWQBHOKSA-N 303.402 2.202 0 50 DEAA Cc1nn(CC(=O)NCC2(N3CCCC3)CCCC2)cc1Cl 299772971 BQNBTLULEBSVII-UHFFFAOYSA-N 324.856 2.370 0 50 DEAA CCCCN1CCn2nc(CNC(=O)NC3CCCC3)cc2C1 299776408 BDPQWRGZKIIXIR-UHFFFAOYSA-N 319.453 2.241 0 50 DEAA CN(C)C[C@@]1(O)CCCN(C(=O)c2cc(F)ccc2Cl)C1 299761250 YJDBBFRUDNRFLN-HNNXBMFYSA-N 314.788 2.008 0 50 DEAA CCN1CC[C@@H](CN(CC)C(=O)NCCCn2cccc2)C1 823056097 JIEDIBOAQVUVOS-MRXNPFEDSA-N 306.454 2.252 0 50 DEAA OCCCn1nc(Cc2cccc(Cl)c2)nc1[C@H]1CCOC1 584895730 DGGWBSWXKVSYIT-ZDUSSCGKSA-N 321.808 2.409 0 50 DEAA O=C(NCc1nncn1C1CCCCC1)c1ccn(C(F)F)n1 670441444 KIDXQTBIPCXOMI-UHFFFAOYSA-N 324.335 2.305 0 50 DEAA CC(C)c1cncnc1NS(=O)(=O)c1ccnn1C1CCC1 1875280005 OXAHDFYRTJRHJG-UHFFFAOYSA-N 321.406 2.322 0 50 DEAA CC[C@H](CNC(=O)C(=O)NC[C@H]1CCSC1(C)C)C(C)C 1875281585 JDKBDNWSFQVMRJ-CHWSQXEVSA-N 314.495 2.433 0 50 DEAA CC[C@H](C)n1nccc1C(=O)Nc1cc(C)nnc1N(C)C 1875276307 YXRIAOJUCLYNLG-NSHDSACASA-N 302.382 2.271 0 50 DEAA Cc1nc(N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)nc2ccccc12 1875398937 JSWYIQFMQUSQAO-IAOVAPTHSA-N 323.400 2.386 0 50 DEAA CCn1ncc(Cl)c1C(=O)N[C@H](c1nc(C)no1)C(C)C 1417595522 MLEBVDUYSQWGFQ-JTQLQIEISA-N 311.773 2.375 0 50 DEAA CCC(CC)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O 1775993774 KFCABTODHXLVJR-HZPDHXFCSA-N 318.417 2.124 0 50 DEAA CCc1cc(CN2CCC[C@H]2c2ncc(C(=O)O)cn2)on1 1776960630 WGELBCANUJKBRT-ZDUSSCGKSA-N 302.334 2.062 0 50 DEAA Cc1ccncc1CC(=O)Nc1cccnc1-c1cnn(C)c1 1435902142 ZXOZOXRLUHVERW-UHFFFAOYSA-N 307.357 2.367 0 50 DEAA COCc1ccccc1-n1cc(CN2C[C@H](C)O[C@H](C)C2)nn1 899730225 HJWDYKMHPHEFRU-OKILXGFUSA-N 316.405 2.023 0 50 DEAA CCN(CC1CCN(c2ccccn2)CC1)[C@@H]1C[C@@H](C)OC1=O 222034866 ZLKIQEMXZLIVSS-GDBMZVCRSA-N 317.433 2.324 0 50 DEAA Nc1ncncc1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 280005164 WVAPOKQXWYRTGS-RKDXNWHRSA-N 308.794 2.194 0 50 DEAA NC(=O)COc1ccccc1C(=O)N1CCCc2ccccc2C1 171528389 UZNUSXXHMOTLKC-UHFFFAOYSA-N 324.380 2.139 0 50 DEAA Cc1ccc(F)c(C(=O)N2CCC(Cn3cncn3)CC2)c1 188188785 ZLFIZCWLRWADCW-UHFFFAOYSA-N 302.353 2.278 0 50 DEAA C[C@]1(CNC(=O)c2c[nH]nc2-c2ccccn2)CCCC[C@H]1O 585084921 GFBUXAARTJPHGL-RHSMWYFYSA-N 314.389 2.143 0 50 DEAA O=C(NCc1nnc(C2CC2)o1)[C@H]1C[C@@]12CCc1ccccc12 194007822 ASXDXQFCBRSVAD-RDTXWAMCSA-N 309.369 2.467 0 50 DEAA C=Cn1cc(CNCC2(N3CCCCC3)CCN(C)CC2)cn1 194341861 XJDDEHIPMWGXAD-UHFFFAOYSA-N 317.481 2.024 0 50 DEAA Cc1sc2ncnc(N3Cc4c(N)nn(C)c4C3)c2c1C 663996215 BYAMCPKNCANMIS-UHFFFAOYSA-N 300.391 2.144 0 50 DEAA COc1ccc2nc(CNc3cc(N)nc(SC)n3)[nH]c2c1 1529112896 VEORBHGAURRTGM-UHFFFAOYSA-N 316.390 2.278 0 50 DEAA O=C(c1cnccn1)N1C[C@H]2CCC[C@](O)(c3ccccc3)[C@H]2C1 1704300370 SMHGKFUJEKPHLG-ALKREAHSSA-N 323.396 2.237 0 50 DEAA Cc1ncc(CN(CCO)C(=O)[C@@H](C)c2ccc(Cl)cc2)[nH]1 1704330366 BOZURPAMNOHCQT-NSHDSACASA-N 321.808 2.496 0 50 DEAA O=c1cc[nH]c2c1CN(c1ncnc3sc4c(c13)CCC4)CC2 1615586548 BMIPYBVBQXTEOD-UHFFFAOYSA-N 324.409 2.431 0 50 DEAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccn(C2CCCC2)n1 1615555406 SNOMTZPYSLLDFU-IAGOWNOFSA-N 310.401 2.353 0 50 DEAA CCN1C[C@H](c2nc(-c3cccc4ncc(O)cc34)no2)CC1=O 1616035300 WPDBJOIUKNSZJT-SNVBAGLBSA-N 324.340 2.326 0 50 DEAA COc1ccc(-c2noc(CN3CCCC[C@H]3CCO)n2)cc1 11879157 BFVYDWGFPCFCFQ-AWEZNQCLSA-N 317.389 2.482 0 50 DEAA CCN(CC)C[C@@H](O)COc1ccc(CNC(C)C)cc1OC 12751261 HFTWZDAOMPWARN-MRXNPFEDSA-N 324.465 2.275 0 50 DEAA O=C1C[C@H](Cn2ccnc2-c2cccc3ccnn23)CN1C1CC1 1857695414 IUGISFPNJXODAO-CYBMUJFWSA-N 321.384 2.209 0 50 DEAA Cc1nc(CC(=O)N[C@H]2CCCc3c2c(C)nn3C)cs1 1857703086 ILUMFXZOYXOMSO-LBPRGKRZSA-N 304.419 2.230 0 50 DEAA C[C@H](CN(C(=O)[C@H]1CCOc2ccccc21)C1CC1)C(=O)O 237615343 WMVPQZSIKTZTSW-RISCZKNCSA-N 303.358 2.264 0 50 DEAA CC(C)n1nccc1C(=O)NCc1nnc(C2CC2)n1C1CC1 135863751 ITVLOUWOOVLLNW-UHFFFAOYSA-N 314.393 2.198 0 50 DEAA CNC(=O)N1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 363634936 QQKLRHJKEXVWPV-INIZCTEOSA-N 311.385 2.373 0 50 DEAA CCN1CCC[C@H]1CNC(=O)N1CC[C@H](Cc2ccncc2)C1 363718807 NSOAAYXZBHRIRZ-SJORKVTESA-N 316.449 2.140 0 50 DEAA CN(Cc1nccn1C(F)F)C(=O)[C@@]12CCCC[C@H]1CNC2 262317604 DQMYTBVFYFFHOH-XHDPSFHLSA-N 312.364 2.016 0 50 DEAA CC(C)c1nsc(CN2CCNC(=O)[C@H]2c2cccs2)n1 930003748 BJVDDXFCRDXRPL-GFCCVEGCSA-N 322.459 2.396 0 50 DEAA C[C@@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)c1cccc(Cl)c1 263528445 VFFGVVBWSCYQHL-ZJUUUORDSA-N 317.794 2.214 0 50 DEAA O=C(NC[C@@H]1CCCc2cccnc21)c1csc(C(=O)O)n1 2325775301 UKFUVAHVDYYWDS-JTQLQIEISA-N 317.370 2.086 0 50 DEAA C[C@@H](C(=O)N1[C@@H](C)CCC[C@H]1C)N1C(=O)c2ccccc2C1=O 170555 FIHNFPRHFPUVKX-XQQFMLRXSA-N 314.385 2.461 0 50 DEAA Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(F)c2)cc1 470165 LFXHRMQVOVAAIQ-UHFFFAOYSA-N 322.361 2.051 0 50 DEAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 2958471 GCDJCSFKJZMGGT-UONOGXRCSA-N 316.357 2.171 0 50 DEAA NC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCC2 4144050 QBPWLJAMBZVDIM-UHFFFAOYSA-N 324.402 2.309 0 50 DEAA Cn1nnnc1SCCNCc1cccc(Cl)c1Cl 4998033 HTFVFCPIJPFZMP-UHFFFAOYSA-N 318.233 2.399 0 50 DEAA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1 6507411 WTNZIQFIZJECBZ-UHFFFAOYSA-N 304.371 2.203 0 50 DEAA C[C@@H]1[C@H](Nc2cc(C(F)(F)F)nc3ncnn23)CCCN1C 343611197 UPYSOHJNVUPOHI-RKDXNWHRSA-N 314.315 2.038 0 50 DEAA Cc1ccccc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 100099525 CGLYWYBLPWSUOD-OKILXGFUSA-N 312.369 2.275 0 50 DEAA CCc1cc([C@H](C)NC(=O)c2ccc(-n3cnnc3)cc2)on1 65508318 WKYSRWOVUMPBRT-NSHDSACASA-N 311.345 2.309 0 50 DEAA CO[C@@H]1CCCC[C@@H]1N1CCN(C(=O)c2ccccc2)CC1 20220987 PTNOEPAORYAKFI-DLBZAZTESA-N 302.418 2.402 0 50 DEAA CC(C)Cc1ncc2c(n1)CN(C(=O)c1cnn3ccccc13)C2 67974762 RAFMUJLRQJHBGS-UHFFFAOYSA-N 321.384 2.479 0 50 DEAA Cc1ccc(CN(C)CC(=O)N2CCC[C@@]3(CCNC3)C2)cc1 67676753 VCQWXTKMTPKNAX-IBGZPJMESA-N 315.461 2.029 0 50 DEAA COCCN1CC[C@H](CNC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1 252498223 SSABPPVADQJDBR-KSWRQPAISA-N 323.481 2.079 0 50 DEAA CCNc1ncc(C(=O)N2C[C@H]3C4CCC(CC4)[C@H]3C2)cn1 71762448 RNVOICZNEHAXDJ-VWSDQGQDSA-N 300.406 2.417 0 50 DEAA Cc1cc(C(=O)N2CC[C@@](CO)(C(C)C)C2)c2n[nH]cc2c1 356624219 FNCANYWIDBSXMR-QGZVFWFLSA-N 301.390 2.352 0 50 DEAA COC(=O)CNC(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 72130935 OIDKESFWSKGORU-AWEZNQCLSA-N 320.389 2.062 0 50 DEAA O=C(COCC(F)(F)F)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 232335846 BUZKMZPXEUUYIC-TUAOUCFPSA-N 309.328 2.107 0 50 DEAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2ccno2)n1C 364676282 VTNBJMJSZHVUDT-AWEZNQCLSA-N 302.378 2.100 0 50 DEAA O=S(=O)(Oc1ccc(CO)c2cccnc12)c1ccccc1 71769474 TYQQPCPAIWUWEW-UHFFFAOYSA-N 315.350 2.495 0 50 DEAA O=C(O)[C@@H]1[C@H]2CN(Cc3cnc(C4CCCCC4)nc3)C[C@H]21 217159033 WVLFNNCVQWDMQJ-FICVDOATSA-N 301.390 2.287 0 50 DEAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)CC[C@H]1CCCO1 261922160 ICMIOBPIPCKNTE-CJNGLKHVSA-N 303.358 2.156 0 50 DEAA Cc1cc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)ccc1F 284582490 PLKNGEAHGQUGEV-DOTOQJQBSA-N 320.408 2.237 0 50 DEAA Cc1ccc2ncccc2c1CN1CCC[C@@](O)(CO)CC1 215018175 UVUVZSBRPFPPPG-SFHVURJKSA-N 300.402 2.253 0 50 DEAA O=C(C1c2ccccc2-c2ccccc21)N1CCOC[C@@H](O)C1 77460055 PYIZUWIALQGOHP-ZDUSSCGKSA-N 309.365 2.019 0 50 DEAA COc1coc(C(=O)N2CCC[C@H]2c2csc(C)n2)cc1=O 242338939 ZDSHELNEQZNVMA-NSHDSACASA-N 320.370 2.391 0 50 DEAA C[C@H]1Cc2ccccc2N1C(=O)c1cc2c([nH]c1=O)CCCC2=O 44907500 BLBJLTUXAHIKQD-NSHDSACASA-N 322.364 2.485 0 50 DEAA CC(C)Cn1cnc(S(=O)(=O)Nc2cccc3[nH]ncc23)c1 174939732 WDQGWOSUUFVEDX-UHFFFAOYSA-N 319.390 2.216 0 50 DEAA CC1(C)CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CCN1 175408007 JCCGVYHUJLZGSR-CMDGGOBGSA-N 310.401 2.096 0 50 DEAA O=C(Cc1ccc(C(=O)O)cc1)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 263317379 IATZFFNZEGDTBF-CGTJXYLNSA-N 307.349 2.382 0 50 DEAA 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1857529647 YVNYTVXJPRDKEQ-NEPJUHHUSA-N 314.389 2.076 0 50 DEAA COc1cccc(-c2n[nH]cc2CNC[C@@]2(C)CCCN2)c1 1875272475 QGOYJXKNBYSAGV-QGZVFWFLSA-N 300.406 2.317 0 50 DEAA Cc1cccc([C@H](CN)C(=O)NCCn2cnc3ccccc32)c1 1875292237 AWDYVUWGUIZVCZ-INIZCTEOSA-N 322.412 2.203 0 50 DEAA O=C1CC[C@H](Cc2cccc(OC[C@@H]3C[N@@]3CC3CC3)c2)O1 1875381782 HRJHMEUROICGAC-KVSKMBFKSA-N 301.386 2.408 0 50 DEAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NCc1cc2ccccc2[nH]1 1875400324 WVAZYWLRXRTOHX-MORSLUCNSA-N 310.401 2.294 0 50 DEAA F[C@@H](Cn1cc(-c2nc3ccccc3s2)nn1)C1CNC1 2325787134 DNBPFZOKPKCGEG-JTQLQIEISA-N 303.366 2.112 0 50 DEAA O=C(c1ccc2cncn2c1)N1CCC[C@@H]1c1cn(C2CC2)nn1 2325871472 MKSWWCCWZDGWHK-MRXNPFEDSA-N 322.372 2.238 0 50 DEAA O=C1N(Cc2ccccc2)CCC[C@@]12CCCN2CCCO 2356135904 XYFRITVKHPYZKD-GOSISDBHSA-N 302.418 2.026 0 50 DEAA COc1cc2c(cc1-c1cccc(C(=O)N(C)C)n1)OCO2 2356148022 CTIUJGOWNOVYAF-UHFFFAOYSA-N 300.314 2.188 0 50 DEAA O=C(CSC1=NCCN1)Nc1cccc(C(F)(F)F)c1 141834 GSRUSEGVJQGBQN-UHFFFAOYSA-N 303.309 2.336 0 50 DEAA CCCc1nc2c(=O)n(C)c(O)nc2n1CCc1ccccc1 236870 IOAYQPDXMFCMDC-UHFFFAOYSA-N 312.373 2.031 0 50 DEAA biogenic Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(C)s3)CC2=O)cc1 815509 BTGDBUDCHPEWSX-NSHDSACASA-N 316.386 2.147 0 50 DEAA Cc1sc(NC(=S)NC(=O)C(C)(C)C)c(C(N)=O)c1C 4820439 ZLXCIQARLZIOIH-UHFFFAOYSA-N 313.448 2.323 0 50 DEAA COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(N)=O 6703086 HYHSVDWZGVGNFQ-LLVKDONJSA-N 314.341 2.200 0 50 DEAA CCN(Cc1cnc2nccn2c1)Cc1noc(CC(C)C)n1 55401925 NTTHTOOHAWEZNV-UHFFFAOYSA-N 314.393 2.333 0 50 DEAA O=C1CN(Cc2nnc(-c3cccs3)o2)[C@@H]2CCCC[C@@H]2N1 225304820 LZBFFWZWFQZONA-WDEREUQCSA-N 318.402 2.041 0 50 DEAA O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1CCNC1CCCCC1 104702094 IERQTSBMCSZRRZ-UONOGXRCSA-N 310.825 2.426 0 50 DEAA Cn1ccnc1CN(CCCn1ccnc1)Cc1cccnc1 55404484 RYMLAVHFTOKSQX-UHFFFAOYSA-N 310.405 2.104 0 50 DEAA O=C(O)c1ccc(N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 100571175 RSYBDRBOQGBIFC-NEPJUHHUSA-N 305.717 2.407 0 50 DEAA COCCN1CC[C@H](CN2CCN(c3ccc(C)cc3)CC2)C1 20209512 BIWBYAUSDUDHMC-SFHVURJKSA-N 317.477 2.085 0 50 DEAA C/C=C/CC(=O)NC[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C1 67787095 UNUMUWBVZXXUPK-HSWBROFVSA-N 312.417 2.467 0 50 DEAA COc1cccc(CCN[C@@H](C)C(=O)NC2CCCC2)c1OC 65494203 RHDBOARNWCNDQH-ZDUSSCGKSA-N 320.433 2.283 0 50 DEAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)O)c1 136493664 IVFDWKUYKMDZGN-RRFJBIMHSA-N 303.358 2.264 0 50 DEAA COc1cccc(CC2(CO)CCN(c3ncccn3)CC2)c1 67541665 FXANIKDGJWYGRE-UHFFFAOYSA-N 313.401 2.307 0 50 DEAA CCc1nc(C)c(C(=O)NCc2sc(COC)nc2C)o1 65394760 NDLMPXLTYDYGRX-UHFFFAOYSA-N 309.391 2.387 0 50 DEAA C[C@@H](Cc1cn(CCc2nnc(N)s2)nn1)c1ccccc1 67714727 ALHRALUYLKAKJR-NSHDSACASA-N 314.418 2.301 0 50 DEAA CCc1ccsc1C(=O)N1CCO[C@@H](c2nncn2CC)C1 328623175 IZOBNCOVSKAAKJ-GFCCVEGCSA-N 320.418 2.136 0 50 DEAA CCCNCc1nc(-c2cccc(C(=O)NC3CC3)c2)no1 34925179 RZJFBQKCIDYQEZ-UHFFFAOYSA-N 300.362 2.128 0 50 DEAA CN(CCCn1cccn1)Cc1cnc(-c2ccccn2)nc1 215194914 PAFFNYFATUBICP-UHFFFAOYSA-N 308.389 2.257 0 50 DEAA Cn1ccnc1-c1cccc(CN2C(=O)N3CCC[C@@]3(C)C2=O)c1 365353780 IQXIJWGJHNJNMY-SFHVURJKSA-N 324.384 2.404 0 50 DEAA Cc1nc2c(C(=O)N3CCCC[C@@H]3c3ncc[nH]3)ccnc2[nH]1 367187037 NXHPYSCHKIVHEF-GFCCVEGCSA-N 310.361 2.357 0 50 DEAA CCc1nn(C)c(CC)c1CN1CC[C@H](c2nccn2C)C1 368137328 ZIVRAFZIZVHWDG-ZDUSSCGKSA-N 301.438 2.268 0 50 DEAA CC(C)C(=O)N1CCC(Cn2ccnc2-c2ncc[nH]2)CC1 71751604 MVQGJDUEBCMZCX-UHFFFAOYSA-N 301.394 2.168 0 50 DEAA O=C(N[C@@H](CC(F)F)C(=O)O)c1cnc(-c2ccco2)s1 262863041 AUSICIDABLBQFO-LURJTMIESA-N 316.285 2.241 0 50 DEAA COCc1cc(CNC(=O)[C@@H]2C[C@H]2C2CCNCC2)ccc1F 377810631 CMQKDLQUHYAFML-JKSUJKDBSA-N 320.408 2.224 0 50 DEAA CN(CC1(C)COC1)C(=O)c1cccc(CCC(C)(C)O)c1 72419566 WXLASPFNKJMONB-UHFFFAOYSA-N 305.418 2.499 0 50 DEAA O=C(NC[C@H]1CCN(Cc2ccccc2F)C1)c1ccc[nH]1 71278759 IFZIJDIJZSFFMX-CYBMUJFWSA-N 301.365 2.406 0 50 DEAA COCC1(CNc2nc(C(C)(C)C)nc3c2cnn3C)CC1 72130736 ALPWDFKFPIDKEN-UHFFFAOYSA-N 303.410 2.499 0 50 DEAA O=C(c1ccc2[nH]c(CO)nc2c1)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 71662192 YLMDGVOCURCIFI-WVKUQDAKSA-N 311.385 2.173 0 50 DEAA COC[C@H]1CN(Cc2cccc(C(=O)N(C)C)c2)CC(C)(C)O1 284676518 ZCHAPAIQJJPMSN-MRXNPFEDSA-N 320.433 2.014 0 50 DEAA CCOC(=O)[C@@H]1C(=O)N[C@@]23CCCC[C@H]2[C@H]1c1ccccc1O3 229996916 YSDMTIZGQWZMNO-WLLUSJSYSA-N 315.369 2.358 0 50 DEAA Cc1n[nH]c(C)c1CC(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 222899416 ABJJBQVTYKJSCP-NBMRYCAZSA-N 317.433 2.279 0 50 DEAA CCc1c(C)nn(CC(=O)N(C)CCC[C@H]2CCCO2)c1C 223945221 UVRCXZYHODDRRB-HNNXBMFYSA-N 307.438 2.480 0 50 DEAA Cc1ccc2nc(C(=O)N3CCC[C@](C)(O)CC3)c(F)n2c1 426544369 JHYVQHWOFWBWSM-INIZCTEOSA-N 305.353 2.159 0 50 DEAA CN(C)[C@@H](C(=O)NCc1ccc(O)cc1)c1ccc(F)cc1 95362943 CBXXDPUPIJLVRM-MRXNPFEDSA-N 302.349 2.450 0 50 DEAA CC(C)(C)OC(=O)N1CCN(c2ccc(O)c(C=O)c2)CC1 91691515 HURFXWYAABUPFZ-UHFFFAOYSA-N 306.362 2.262 0 50 DEAA COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CC[C@@H](N)C3)C2)c1 237368628 LTSJAUNAHAVQQS-UMVBOHGHSA-N 318.417 2.147 0 50 DEAA CO[C@@]1(C)C[C@@H](O)C12CCN(CCOc1ccc(F)cc1)CC2 91914993 DXSCYBRRKZNNRS-SJORKVTESA-N 323.408 2.456 0 50 DEAA COc1c(C)cc(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1C 180331850 CYCOGAFBJMNUBT-UONOGXRCSA-N 304.390 2.086 0 50 DEAA O=C(c1ccc(-c2ncn[nH]2)cc1)N(C[C@H]1CCOC1)C1CC1 184877672 MSSSUZRCOXEGBW-GFCCVEGCSA-N 312.373 2.113 0 50 DEAA CCc1ccccc1OC1CN(C(=O)NC[C@H]2CCCO2)C1 534592146 GOTBOAZCIADWPR-CQSZACIVSA-N 304.390 2.201 0 50 DEAA CC(C)n1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)nn1 629270465 AQEOYXRPZONPLB-WCQYABFASA-N 306.316 2.423 0 50 DEAA COc1ccc(C)c(NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c1 299795922 MRAXDQNBEMZEQP-LBPRGKRZSA-N 317.389 2.136 0 50 DEAA COc1ccc(C)c(NC(=O)N(C)CCc2noc(C)n2)c1 299776327 JRVAAMKQQOXGNQ-UHFFFAOYSA-N 304.350 2.401 0 50 DEAA Cc1csc([C@@H](C)CNC(=O)CN(C)Cc2cccnc2)n1 299784471 NVPAGASWGGJCFH-LBPRGKRZSA-N 318.446 2.198 0 50 DEAA Cc1nnc(CN2CCN(C3Cc4ccccc4C3)CC2)s1 299774170 BRAJXOPFHBEQAS-UHFFFAOYSA-N 314.458 2.132 0 50 DEAA NC(=O)CC[C@@H]1CCCN(c2[nH]cnc3nc(Cl)cc2-3)C1 865503429 XEONFYWBQCSKFA-VIFPVBQESA-N 307.785 2.045 0 50 DEAA COC(=O)[C@H]1C[C@@H](NC(=O)[C@H](C)CCc2ccc(F)cc2)C1 868876769 GAUXHHSUUXBBSN-KYOSRNDESA-N 307.365 2.462 0 50 DEAA CCC1(C(=O)N(Cc2ccccc2)C2CCNCC2)COC1 1161423472 BAPXQPZJBOHARR-UHFFFAOYSA-N 302.418 2.194 0 50 DEAA C[C@@H](c1nncn1C)n1cc(C23CC4CC(CC(C4)C2)C3)nn1 1875281929 FNHMMULGRTWEHL-GVMDUPDNSA-N 312.421 2.484 0 50 DEAA CC[C@H](C(=O)Nc1cccnc1-n1ccnc1C)n1ccnc1 1875292505 KGALKEIRTPJVLZ-CQSZACIVSA-N 310.361 2.362 0 50 DEAA Cc1ccc(S(=O)(=O)NC(=O)CC[C@@H]2CCCOC2)s1 1875262856 HJRAYDFLOBEIPS-NSHDSACASA-N 317.432 2.068 0 50 DEAA CCNC(C)(C)c1cn([C@@H]2CCc3ccccc3NC2=O)nn1 1875304623 PUZPNNUVDWDQMP-CQSZACIVSA-N 313.405 2.249 0 50 DEAA c1cc(CN2CCCN(Cc3ccncc3)CC2)c2nonc2c1 952962310 DMCRRZCABONLAS-UHFFFAOYSA-N 323.400 2.326 0 50 DEAA C[C@@H](Cn1cncn1)C(=O)NCc1csc2c1CCCC2 952969095 RSTXRBPUSUPVKO-NSHDSACASA-N 304.419 2.171 0 50 DEAA Cn1ccc(-c2cc(C(=O)N3CCOC[C@@]3(C)C3CC3)n[nH]2)c1 890590912 XDJMNOOWKVBXFJ-KRWDZBQOSA-N 314.389 2.056 0 50 DEAA CO[C@H]1C[C@H](c2nnc(C)o2)N(c2ccnc(C(C)C)n2)C1 1775957533 ZPJHDRQWZKAQTR-NWDGAFQWSA-N 303.366 2.258 0 50 DEAA O=C(Cn1nc(C(F)F)cc1C1CC1)N[C@H]1CCn2cncc21 898810785 NURJSDCQXXDQHE-JTQLQIEISA-N 321.331 2.156 0 50 DEAA CCN1CCC[C@@H](CNC(=O)N2CC[C@@H](OCC(C)C)C2)C1 221871302 XUGUGRIVUIFKKW-JKSUJKDBSA-N 311.470 2.175 0 50 DEAA COc1ccc(-c2ccc(N3CC(=O)NCC3=O)c(C)c2)c(C)c1 665182305 GATBTDBFWHLAFU-UHFFFAOYSA-N 324.380 2.442 0 50 DEAA COCCN1C[C@H](C(=O)O[C@H]2C=C(C)CC(C)(C)C2)CC1=O 170597430 CJEDTONGUMMZMV-KGLIPLIRSA-N 309.406 2.159 0 50 DEAA CCO[C@H]1C[C@](O)(CNC(=O)c2ccc3cc[nH]c3c2)C1(C)C 191752508 SLXMSVAFWVWZPD-YJBOKZPZSA-N 316.401 2.464 0 50 DEAA CC(C)(C)n1cc(CN2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cn1 583618761 DXEJMGBWHAHUDR-NUJGCVRESA-N 321.465 2.390 0 50 DEAA Cn1cc(-c2ccc(CN[C@@H]3CCC(=O)NC34CCC4)cc2)cn1 585080471 WZIJLJMICPVYFE-QGZVFWFLSA-N 324.428 2.378 0 50 DEAA CO[C@@H](C(=O)N1CCC(c2n[nH]c(C)n2)CC1)c1ccccc1 195556281 QPQHNGUJSQOPFC-OAHLLOKOSA-N 314.389 2.207 0 50 DEAA Cc1cc(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2ccc[nH]2)ccc1F 1426434715 ROJAHLWIDSRAAG-VXGBXAGGSA-N 317.364 2.399 0 50 DEAA OC1(c2ncn(Cc3ncc(-c4ccc(F)cc4)o3)n2)CCC1 1615587583 NFCDBLLFGNMSOH-UHFFFAOYSA-N 314.320 2.492 0 50 DEAA COC(=O)[C@@H](CC(C)=O)c1cc(=O)oc2c(C)c(OC)ccc12 1775970790 CRXHNZNGSCQBEZ-ZDUSSCGKSA-N 318.325 2.346 0 50 DEAA COc1cc(-c2nccn2-c2ccc3nc(CO)[nH]c3c2)ccn1 1775979241 ZACKLXGRBAIXPR-UHFFFAOYSA-N 321.340 2.312 0 50 DEAA CC1(C)OC(=O)C(Cc2ccccc2Br)C(=O)O1 1772717751 PVYKRBJLOOQAQK-UHFFFAOYSA-N 313.147 2.444 0 50 DEAA O=C(Cn1nc(-c2ccccc2)ccc1=O)NC1CCCCC1 5388170 NVUPFWFNAHRTRA-UHFFFAOYSA-N 311.385 2.359 0 50 DEAA Cc1cccc(-n2nnc(C(=O)NCc3ccccn3)c2C)c1 16623018 CNUJPPOUPGTFRU-UHFFFAOYSA-N 307.357 2.209 0 50 DEAA COc1cccc2c1OC[C@@H](NCc1cnc(SC)nc1)C2 19228542 BREOQCSDQBYEAK-ZDUSSCGKSA-N 317.414 2.300 0 50 DEAA CC[C@H](C)N1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 19499923 WECFHTGPDLKETN-ZDUSSCGKSA-N 308.422 2.326 0 50 DEAA Cc1nc([C@@H]2CCc3ncnn3C2)n(CCc2ccccc2)n1 1857673145 MRWZKVAKXNAGII-OAHLLOKOSA-N 308.389 2.151 0 50 DEAA 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311.293 2.190 0 50 DEAA C[C@@H]1C(=O)N(Cc2ccccc2)Cc2nnc(-c3cnco3)n21 2356145313 KWHJZPSTMHTQHR-LLVKDONJSA-N 309.329 2.037 0 50 DEAA Cc1cc(=O)[nH]c(SCC(=O)NCc2ccc(Cl)cc2)n1 4864378 JXDGCDFPXRUWEW-UHFFFAOYSA-N 323.805 2.140 0 50 DEAA CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCC2)cs1 6680618 BTCDJSHJPSQFLV-SNVBAGLBSA-N 316.448 2.061 0 50 DEAA COc1cccc(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)c1 7452161 FEUCQGZDJBSAIA-LBPRGKRZSA-N 311.341 2.082 0 50 DEAA O=C(c1cccc(CO)c1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 225489771 RAADTFNWVWBSRV-IRXDYDNUSA-N 315.344 2.266 0 50 DEAA C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(NCCO)cc1 22023342 PLVJXRGOEFBZNQ-OAHLLOKOSA-N 312.413 2.381 0 50 DEAA Cc1cc(S(=O)(=O)N(C)CCN2CCCC2)c(C)s1 103162457 IHQSDOUNHSLELU-UHFFFAOYSA-N 302.465 2.081 0 50 DEAA O=C(NC[C@H]1COCCO1)Nc1ccccc1OC(F)(F)F 56576442 INCGUTMQWGSGIQ-VIFPVBQESA-N 320.267 2.122 0 50 DEAA CN1CC[C@@H](C(=O)NCc2cnc(-c3ccccc3)s2)C1 20385441 UURRVNXUXYXBJE-CYBMUJFWSA-N 301.415 2.378 0 50 DEAA CN1CCC[C@H](CCNC(=O)c2nc3c(s2)CCCC3)C1 67983101 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CC(=O)N1C[C@@H](NC(=O)c2occc2C)CC[C@@H]1C(F)(F)F 886031595 BQCZTPLWVOUUFR-WDEREUQCSA-N 318.295 2.260 0 50 DEAA CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C(F)F)n2cccn2)c1C 1775994081 SBSFJCFJCWSVBV-LLVKDONJSA-N 324.331 2.267 0 50 DEAA CNC(=O)CCOc1ccc(Nc2ccc3nccnc3n2)cc1 301255261 SYGIMMGNRRZOJV-UHFFFAOYSA-N 323.356 2.283 0 50 DEAA Clc1cccnc1N1CC[C@@H](Nc2ncnc3nc[nH]c23)C1 301614700 IIYDFGYOZZWVAN-SECBINFHSA-N 315.768 2.092 0 50 DEAA O=C(Cc1ccn[nH]1)N1CCO[C@@H](c2cccc(Cl)c2)C1 185967897 GZVJZXUYEJTSRG-CQSZACIVSA-N 305.765 2.206 0 50 DEAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCCOc1ncccc1F 408474917 YDXPQCVWDGFVEZ-JSGCOSHPSA-N 310.369 2.167 0 50 DEAA CC(C)n1cc(CNc2ccc(-n3cc(CO)nn3)cc2)cn1 170087463 FOUFQPATPYGIEB-UHFFFAOYSA-N 312.377 2.149 0 50 DEAA O=C(NCc1nccn1Cc1ccccc1)[C@@H]1CCC[C@H](O)C1 170087263 IJEAYUGGSUAQOF-CVEARBPZSA-N 313.401 2.099 0 50 DEAA CCO[C@@H]1CCN(C(=O)N[C@@H]2CCCn3nccc32)C[C@@H]1C 633627691 RYIDXBXXZCOOCD-GZBFAFLISA-N 306.410 2.175 0 50 DEAA CCCOc1cc(CN2CCO[C@@]3(CCOC3)C2)ccc1OC 187549325 BRFAMNYNACKHIF-SFHVURJKSA-N 321.417 2.475 0 50 DEAA CCS[C@@H]1CCC[C@H]1NC(=O)c1cccc2c1NC(=O)CO2 585125813 GLRUOYCMLFDIFI-DGCLKSJQSA-N 320.414 2.422 0 50 DEAA C[C@H](O)CCCCCC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 585121186 IADIKXJEYFCSAD-HOCLYGCPSA-N 324.465 2.083 0 50 DEAA C[C@@H](C(=O)N[C@H](c1nc(=O)o[nH]1)C(C)(C)C)c1ccccc1 639429727 KIPUOYOEBNIGTE-ZYHUDNBSSA-N 303.362 2.370 0 50 DEAA CC(C)C[C@@]1(CO)CCCN1C(=O)NCCc1cccnc1 189956619 WFDJMKBCSZJUJA-QGZVFWFLSA-N 305.422 2.207 0 50 DEAA Nc1nc2c(c(C(=O)N3CCC[C@@H]3c3cccnc3)n1)CCCC2 1506398618 UOOCAZUTIQQCGF-OAHLLOKOSA-N 323.400 2.310 0 50 DEAA Cc1nc(N)nc(N[C@@H]2COC[C@H]2Cc2ccncc2)c1Cl 1704302255 GAROVBLQFSPZJL-VXGBXAGGSA-N 319.796 2.085 0 50 DEAA Cc1nc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)ccc1Cl 1704311778 CIPZTVHQWSGDFB-GDBMZVCRSA-N 309.841 2.326 0 50 DEAA CC(C)(C)c1ccc(C(=O)N2CC[C@@H](O)C[C@H]2C(=O)O)cc1 209806854 CKSKMWAWHHFXNU-KGLIPLIRSA-N 305.374 2.034 0 50 DEAA Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CCC2)C3)on1 213130311 DMAUBTXOJYJNHD-GJZGRUSLSA-N 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CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1 86610 YGHDFVVDHMUUIK-UHFFFAOYSA-N 304.371 2.189 0 50 DEAA COC(=O)CSc1ncnc2c1cnn2-c1ccccc1 421119 XPJNBRSENFWZEA-UHFFFAOYSA-N 300.343 2.081 0 50 DEAA COCc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1 461326 DHJSUWMQASRWPV-UHFFFAOYSA-N 319.795 2.139 0 50 DEAA O=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccco2)c1 1074997 VBWVZPWWCKXXCH-AWEZNQCLSA-N 314.341 2.441 0 50 DEAA COc1ccc(-c2cnc3c(N4CC[C@@H](O)C4)nccn23)cc1C 2356162267 FHXBOBZUJMNFIX-CQSZACIVSA-N 324.384 2.284 0 50 DEAA O=C(NCCCN1CCCC1=O)NC12CC3CC(CC(C3)C1)C2 4196729 WONVGBQPEASBNY-UHFFFAOYSA-N 319.449 2.267 0 50 DEAA CCC[C@@H](NC(=O)CCC(=O)NC1CCCC1)c1nccn1C 55119231 JTAILGCRSZSIGU-CQSZACIVSA-N 320.437 2.217 0 50 DEAA O=C([C@@H]1[C@H]2CNC[C@H]21)N1CCC(Oc2ccc(Cl)cc2)CC1 102839583 GNFCQTIKQZPCGD-ZSHCYNCHSA-N 320.820 2.175 0 50 DEAA C[C@@H](C(=O)N(C)C)N(C)Cc1nn(C)c2cccc(Cl)c12 67855563 PBUYLQSTNUQGFY-JTQLQIEISA-N 308.813 2.135 0 50 DEAA CCc1nnc(NC(=O)c2cn(CC(F)(F)F)nc2C)s1 357429229 UKSHROLDSJJRFS-UHFFFAOYSA-N 319.312 2.420 0 50 DEAA Cc1ccc(C)c(NC(=O)N2CC[C@H](CN3CCOCC3)C2)c1 119648110 JYCDKUASINXAJA-MRXNPFEDSA-N 317.433 2.489 0 50 DEAA O=C(COC[C@H]1CCCO1)N[C@H]1CCCN(C2CCCCC2)C1 229621223 MXFMRWLJLSUSRB-DOTOQJQBSA-N 324.465 2.095 0 50 DEAA O=C(Nc1ccc(CCO)cc1)c1c[nH]nc1-c1ccccn1 355193725 WMDGRIDNSRHNRD-UHFFFAOYSA-N 308.341 2.259 0 50 DEAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 216202375 VCHADFGBYBBPFW-LBPRGKRZSA-N 324.384 2.029 0 50 DEAA c1nc(NCc2nnc3n2CCCCC3)cc(N2CCCC2)n1 253432689 MRILTVFMLICHRJ-UHFFFAOYSA-N 313.409 2.007 0 50 DEAA CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)O 441228907 IOWGYHGLVGYIQG-CJNGLKHVSA-N 305.422 2.007 0 50 DEAA COc1ccnc(C(=O)N2CCCC[C@H]2CN2CCCC2)c1 219745487 UIKVSBKRKLNSQT-AWEZNQCLSA-N 303.406 2.181 0 50 DEAA CN(C)C/C=C/C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 491849558 OYFQSMZHANTIRW-KPKJPENVSA-N 324.428 2.095 0 50 DEAA COc1cc(F)ccc1NC(=O)N1CCC[C@@H]1c1nncn1C 159230839 OCLOLJVTYDEXQP-GFCCVEGCSA-N 319.340 2.332 0 50 DEAA Cc1cc(C)n(CC(=O)N2CCC(Cc3cccnc3)CC2)n1 378426181 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322.372 2.153 0 50 DEAA CC(C)(NC(=O)c1cccs1)c1nc(-c2cccnn2)no1 95521666 IOLKFVQJSGAJLR-UHFFFAOYSA-N 315.358 2.253 0 50 DEAA CCOc1cc(C(=O)N(C)Cc2ncc(C)c(OC)c2C)on1 294732994 NNFNYDZJDDVFQC-UHFFFAOYSA-N 319.361 2.366 0 50 DEAA CN1CCCN(C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 181419211 VOSAMYYQPLSMSZ-UHFFFAOYSA-N 311.769 2.238 0 50 DEAA COc1ccnc(CN2CCC(N3CCSCC3)CC2)c1 244873007 WIGURALKUFZXKL-UHFFFAOYSA-N 307.463 2.103 0 50 DEAA NC(=O)[C@H]1CCCN(CCCNCc2sccc2Cl)C1 252498147 QVFANENQOPEPDC-NSHDSACASA-N 315.870 2.079 0 50 DEAA Cn1cc(-c2cc(CN3CCC[C@H](c4ccn[nH]4)C3)on2)cn1 184985501 KGWPRCBFXOWKKA-LBPRGKRZSA-N 312.377 2.178 0 50 DEAA CC[C@@H](NC(=O)c1cccc(-c2ncc[nH]2)c1)c1ncnn1C 534653792 DFZLPCYZHWTCGW-CYBMUJFWSA-N 310.361 2.086 0 50 DEAA COC(=O)Cc1cnc(Br)c(Br)c1 263622997 CTZZOIXAEKDOHR-UHFFFAOYSA-N 308.957 2.322 0 50 DEAA O=C(NCCc1ncc[nH]1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299778912 PDYBRCIXOOWJAT-BBWFWOEESA-N 324.428 2.294 0 50 DEAA CC[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1nnc(C)o1 822559915 CCDIRWZWVQDUNL-JTQLQIEISA-N 316.361 2.293 0 50 DEAA Cc1nccn1CC(=O)Nc1ccc(N2C(=O)CC[C@@H]2C)cc1 827861492 OAMYTWQVLXLLQF-LBPRGKRZSA-N 312.373 2.346 0 50 DEAA CN(C)[C@@H](Cc1ccccc1)C(=O)NC1(CO)CCCCCC1 584899430 YRTCOIDNOOZGRY-KRWDZBQOSA-N 318.461 2.361 0 50 DEAA O=C(N[C@@H]1CCOc2ccc(F)cc21)[C@@H]1CC(C2CC2)=NO1 1875293045 AMJWXPFJYVNAFA-DOMZBBRYSA-N 304.321 2.320 0 50 DEAA C[C@H](CO)N(Cc1ccccc1Cl)C(=O)/C=C/CN(C)C 1875378370 BEBJJJDJNBRUJT-YSKGHYERSA-N 310.825 2.167 0 50 DEAA CC(C)(C)OC(=O)N1CCC[C@@]1(CNCCO)c1ccccc1 1875340086 KMJPPJCIJVHJRY-GOSISDBHSA-N 320.433 2.495 0 50 DEAA Cc1cccc(NC(=O)C2CCN(c3cc(O)ncn3)CC2)c1 1875306763 OOGFTPANKLGKPQ-UHFFFAOYSA-N 312.373 2.346 0 50 DEAA O=C(Nc1ccc2n[nH]cc2c1)c1cccc2c1OCCNC2 1875349808 NNZMPPHYLGLVKU-UHFFFAOYSA-N 308.341 2.297 0 50 DEAA CSc1nnc(-c2noc([C@@H]3CCCc4cncn43)n2)s1 1875317800 FLFOKBUKZVQUTC-QMMMGPOBSA-N 320.403 2.432 0 50 DEAA Cc1cc(F)cc(S(=O)(=O)NCCc2ccns2)c1 882562311 ABCZDUVYILRSCZ-UHFFFAOYSA-N 300.380 2.112 0 50 DEAA CC(=O)N1C[C@@H](Nc2cc(C)nc(C)n2)CC[C@H]1C(F)(F)F 886096757 DBUJQFZXQLWJEQ-RYUDHWBXSA-N 316.327 2.447 0 50 DEAA O=C(O)[C@@]1(O)CCCN(CCOc2cccc3ccccc23)C1 888097527 NXIVSBGGVZLIGD-GOSISDBHSA-N 315.369 2.130 0 50 DEAA O=S1(=O)CC[C@@H](Nc2ncc(Cl)cn2)CC12CCC2 896684011 XMFXVZSJTXASIG-SNVBAGLBSA-N 301.799 2.042 0 50 DEAA Nc1cc(S(=O)(=O)NC(=O)C[C@H]2C=CCC2)ccc1Cl 1775990944 BOJLZQOBOZKXKY-VIFPVBQESA-N 314.794 2.083 0 50 DEAA O=C(N[C@H]1CCN2CCCC[C@@H]12)c1cncc(Br)c1 222623280 IHJSOCJGOCQQFX-STQMWFEESA-N 324.222 2.201 0 50 DEAA CCc1ccnc(C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)c1 408119793 OZLVTWAHYOQMQJ-UHFFFAOYSA-N 315.417 2.117 0 50 DEAA CCCN(CCO)C(=O)Nc1ccc(OC)c2cccnc12 170598176 MIQVNPMRESMQLM-UHFFFAOYSA-N 303.362 2.480 0 50 DEAA Cc1nc(C(=O)N2CC[C@@H]2C(F)F)nn1-c1ccc(F)cc1 643610970 JMPZGQADNSXIDC-LLVKDONJSA-N 310.279 2.194 0 50 DEAA CCOC(=O)c1ccc2c(c1)N(C(=O)c1cscn1)CCO2 192361279 MHKMWEHDFBEEEF-UHFFFAOYSA-N 318.354 2.359 0 50 DEAA CCn1nncc1C(=O)Nc1cnn([C@H](C)c2ccccc2)c1 648503386 XRUMCBNORYUZSX-GFCCVEGCSA-N 310.361 2.356 0 50 DEAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Nc1cccc(-n2cccc2)c1 193990426 PMTRCHLKXKAWAC-IUODEOHRSA-N 312.373 2.123 0 50 DEAA CC(C)n1ccc(CNC(=O)c2cn(C)nc2-c2ccco2)n1 668989371 HSRKGELPMUYHCC-UHFFFAOYSA-N 313.361 2.388 0 50 DEAA COc1ccc2nc(SCCCn3nnnc3C)[nH]c2c1 585080787 HFTQVAQRLOETAK-UHFFFAOYSA-N 304.379 2.049 0 50 DEAA COc1ccc(S(=O)(=O)N2CCC(=O)[C@@H]3CCC[C@H]32)c(C)c1 585114664 QIISYBCSLPOBEE-ZIAGYGMSSA-N 323.414 2.136 0 50 DEAA CCn1[nH]c(C)nc1=NC(=O)N(C)Cc1ccc(Cl)s1 585119812 VKGZFNYDABJILC-UHFFFAOYSA-N 313.814 2.407 0 50 DEAA O=C(Nc1ncc(Br)cn1)OCC(F)(F)F 585138753 SHNUMIRHHGHLSO-UHFFFAOYSA-N 300.034 2.350 0 50 DEAA CSc1nc(N)cc(N2CC(Oc3cccc(C)c3)C2)n1 1506420001 PSYUTGBANREDNP-UHFFFAOYSA-N 302.403 2.357 0 50 DEAA Cn1nc2c(c1NC(=O)c1ccc3c(c1)ncn3C)CSC2 1529114110 KYHDVPMHSKKXID-UHFFFAOYSA-N 313.386 2.306 0 50 DEAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(Cc1c(C)nn(CC)c1C)C2 216917154 CEPQLCSFYIMHAS-CVEARBPZSA-N 318.465 2.353 0 50 DEAA Cc1ccc(-c2noc(CCc3nc(N(C)C)no3)n2)c(F)c1 1615553252 VUWMTCPZCRMHDW-UHFFFAOYSA-N 317.324 2.418 0 50 DEAA CCCC[C@H]1CN(C(=O)Cc2nonc2C)C[C@@H](C2CC2)O1 1615964791 QPHJSSOOPVCPDG-ZFWWWQNUSA-N 307.394 2.117 0 50 DEAA CC(C)N(CCO)CC1CCN(C(=O)OC2CCCC2)CC1 1616035985 CSGSWUKYYRUGCP-UHFFFAOYSA-N 312.454 2.480 0 50 DEAA COc1ccc(N2C(=O)C[C@H](SC3=NCCS3)C2=O)cc1 5720503 FFFVQQOREJEQBL-NSHDSACASA-N 322.411 2.163 0 50 DEAA CCc1cc(N2C[C@H]3C[C@H](O)C[C@H]3C2)nc(N2CCCCC2)n1 1857692119 PJTNDFOOFBQNAH-FOLVSLTJSA-N 316.449 2.236 0 50 DEAA CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2ccccc2)CC1 2386682 QPEHPIVVAWESTM-AWEZNQCLSA-N 320.389 2.365 0 50 DEAA in-vitro O=C(N[C@H]1CCOC[C@@H]1O)C(c1ccccc1)c1ccccc1 629218910 WRYBGFNFEWDMBX-IRXDYDNUSA-N 311.381 2.085 0 50 DEAA COc1cccc(CC(=O)N2CCC[C@@H](CCC(=O)O)C2)c1 237371575 BOQKCAOWDRFOPQ-ZDUSSCGKSA-N 305.374 2.341 0 50 DEAA Cn1cccc1[C@H]1COCCN1Cc1cc2ccccc2[nH]c1=O 162493030 RRXPEZFYKZGRQF-GOSISDBHSA-N 323.396 2.440 0 50 DEAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3ccccn3)C1)CC2 1704325727 QBKGOLKLVPAXHL-LJQANCHMSA-N 322.412 2.229 0 50 DEAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)Cc3cccnc3)C1)CC2 1704312215 FNCOMDBZMBGPQT-LJQANCHMSA-N 322.412 2.229 0 50 DEAA COc1ccc(C)nc1NC(=O)NCc1cc(C2CC2)n(C)n1 930858381 XEOUMWVANXXNRF-UHFFFAOYSA-N 315.377 2.331 0 50 DEAA CN(CCn1cccn1)C(=O)c1cccc2nc(C(F)F)[nH]c12 932521737 MWMDSGIYMIUZRK-UHFFFAOYSA-N 319.315 2.469 0 50 DEAA O=c1c2ccccc2ncn1CCN[C@H]1CCOC12CCCC2 934383466 AXPMIDOPAZANBQ-INIZCTEOSA-N 313.401 2.088 0 50 DEAA Cc1ccc(CC(=O)N[C@H]2CCC(=O)NC2(C)C)cc1Cl 935865942 IYINLHZLKLQQMK-ZDUSSCGKSA-N 308.809 2.364 0 50 DEAA CC1=NN(C(=O)CCc2ccccc2)[C@@](O)(c2cccnc2)C1 77944 QPCWAUIGPFGOIX-SFHVURJKSA-N 309.369 2.468 0 50 DEAA O=C(O)c1csc([C@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1 2325769450 DTHNRJLQUZOINC-JTQLQIEISA-N 305.359 2.189 0 50 DEAA CCCN(c1ccccc1F)S(=O)(=O)c1cc(C)nn1C 2325772226 BXWJVDCGNLWKBL-UHFFFAOYSA-N 311.382 2.473 0 50 DEAA Cc1cc(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2ccc[nH]2)ccc1F 1426434713 ROJAHLWIDSRAAG-RYUDHWBXSA-N 317.364 2.399 0 50 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377208123 PNFIHVREUOFNFM-SLEUVZQESA-N 316.380 2.147 0 50 DEAA Cc1cccc(Oc2ccccc2C(=O)N[C@@H]2CNC(=O)C2)c1 442888896 CFCALRFTJMJNCF-ZDUSSCGKSA-N 310.353 2.406 0 50 DEAA O=C(c1cccc(F)c1F)N1CCC[C@@](O)(CN2CCCC2)C1 77408175 VBJDQZWCSCFNPK-QGZVFWFLSA-N 324.371 2.028 0 50 DEAA Cc1ccc(F)c(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1 337139552 GOUHUTUKBJTKEY-BMFZPTHFSA-N 307.365 2.136 0 50 DEAA COc1cc(F)c(C(=O)N[C@@H](CC(=O)O)C(C)C)c(F)c1 219129101 AMZFGGPEQZZKGY-NSHDSACASA-N 301.289 2.203 0 50 DEAA NC(=O)c1c[nH]c(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c1 371572346 HCSRHDHYQPALAO-XVJNWHFHSA-N 309.369 2.432 0 50 DEAA O=C(Cc1ccc(Cl)cc1)NC1(C(=O)O)CCSCC1 262052045 AFPKLXQRFOAVAE-UHFFFAOYSA-N 313.806 2.349 0 50 DEAA Cc1nc(CNC(=O)c2n[nH]c3ccccc23)nc2c1CCCC2 214956776 GQIFXBVHAKTZEA-UHFFFAOYSA-N 321.384 2.470 0 50 DEAA O=S(=O)(N[C@H]1CC12CCOCC2)c1ccc(C2CC2)cc1 333105485 QYIXBQKLNYLEGM-HNNXBMFYSA-N 307.415 2.411 0 50 DEAA O=C(c1ccc([C@H]2CCCN2)s1)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 71759881 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318.461 2.376 0 50 DEAA Cc1conc1NC(=O)[C@H]1CCCCN1C(=O)c1ccco1 154507011 BVGLIGZAEBJZNK-LLVKDONJSA-N 303.318 2.209 0 50 DEAA CCn1nc(C)c(CN2CCC(c3ccnc(N)n3)CC2)c1C 216311844 XOWWFFNQGBOWSO-UHFFFAOYSA-N 314.437 2.272 0 50 DEAA CCc1noc([C@H]2C[C@H](O)CN2C(=O)C=C(C2CC2)C2CC2)n1 377394039 SQINJFUFPZKFKA-GXTWGEPZSA-N 317.389 2.013 0 50 DEAA CC(C)(O)C1CN(C(=O)NCCc2cc(F)c(F)c(F)c2)C1 331851236 IOYMFYIQBJYFON-UHFFFAOYSA-N 316.323 2.059 0 50 DEAA CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C 37866384 OMCHZOGNSMGSDM-UHFFFAOYSA-N 310.423 2.287 0 50 DEAA O=C(O)[C@@H]1CCCN(c2cc(-c3ccccc3)nc3ncnn23)C1 261979120 HFGXRHNJJRSRQP-CYBMUJFWSA-N 323.356 2.092 0 50 DEAA Cc1cc(S(=O)(=O)Nc2nc3n(n2)CCCC3)cc(C)c1F 333067400 JIUMGGNQANDHAM-UHFFFAOYSA-N 324.381 2.171 0 50 DEAA CCOc1ccc(CC(=O)N2[C@H]3CC[C@@H]2CCN(C)C3)cc1 219319488 BACZKYIAGFEMFH-CVEARBPZSA-N 302.418 2.323 0 50 DEAA COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2C(=O)O)c(OC)c1 262580666 FMMUOZYGVBDACB-RDBSUJKOSA-N 319.357 2.088 0 50 DEAA 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Fc1ccc(Cc2noc(-c3cccc(-n4cnnn4)c3)n2)cc1 225387245 OXVXZNMLQWQCGM-UHFFFAOYSA-N 322.303 2.442 0 50 DEAA Cc1cccc(CN2CCN(c3cncc4nc(C)nn34)CC2)c1 328626856 FNNIBYQZDFIURS-UHFFFAOYSA-N 322.416 2.063 0 50 DEAA Cc1ncc(CNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)s1 131894155 UBSDNOQEUICXTI-CYBMUJFWSA-N 323.462 2.495 0 50 DEAA COc1ccc(C(C)C)cc1CN1CC[C@@H](O)C[C@H]1C(=O)O 253608793 WNPDTUJUAXYKST-CABCVRRESA-N 307.390 2.229 0 50 DEAA Cc1ccc(CNC(=O)NC2(C)CCC3(CC2)OCCO3)cn1 912012485 CMCUHNRPQSSGPZ-UHFFFAOYSA-N 319.405 2.265 0 50 DEAA CC(C)(C)OC(=O)N1CCC([C@H]2CCOC[C@H]2C(=O)O)CC1 1857779971 NPUNHYJKHWEIKD-CHWSQXEVSA-N 313.394 2.371 0 50 DEAA C[C@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(Cl)nc1Cl 225678195 BLZDIDVGNNVKKL-DTWKUNHWSA-N 323.245 2.396 0 50 DEAA CCc1nc2c(s1)[C@H](N(C)CCS(=O)(=O)CC)CCC2 152495104 DCZIHKVJOPZYCK-GFCCVEGCSA-N 316.492 2.449 0 50 DEAA O=C(Nc1cnn(Cc2ccccc2)c1)N1CCC(CO)CC1 266736952 JGLSRDJLHGPPKS-UHFFFAOYSA-N 314.389 2.168 0 50 DEAA COc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1 4625518 GWJZVNRGLXAJBG-UHFFFAOYSA-N 303.343 2.372 0 50 DEAA Cc1n[nH]c2cnc(C(=O)N3CC(C)(C)OCC3(C)C)cc12 2325773369 PUXBFTJGOIZNPX-UHFFFAOYSA-N 302.378 2.296 0 50 DEAA O=c1ccnc2sc(=N[C@@H]3CCCc4cccc(F)c43)[nH]n12 2325789777 MGNVXOKSWDUUTA-LLVKDONJSA-N 316.361 2.202 0 50 DEAA CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)C2CCCCC2)C1 2325811376 SZMYXYFITWTUHU-CABCVRRESA-N 322.449 2.335 0 50 DEAA CC1(C)CNC[C@H]1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 884139905 FLZYTKIRZYNVEB-HOCLYGCPSA-N 304.409 2.462 0 50 DEAA COc1ccc([C@@H]2SCC(=O)N2CCCN(C)C)cc1OC 122892 RDQTVBHSBQKXSB-INIZCTEOSA-N 324.446 2.230 0 50 DEAA COC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 444087 OZDIPMDERAXHJW-UHFFFAOYSA-N 319.382 2.363 0 50 DEAA COc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 4838251 NNTYOSSAEPYUQC-INIZCTEOSA-N 311.337 2.093 0 50 DEAA Brc1cnc([C@@H]2CCCN(c3cnccn3)C2)nc1 1365243302 PJJYGSGAEAVLRA-SNVBAGLBSA-N 320.194 2.413 0 50 DEAA CC(C)OC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C[C@@]23C=C[C@H]1O3 100833739 NBRKDTGLWWFFIZ-FSZRXZPDSA-N 319.401 2.053 0 50 DEAA biogenic Cc1cc(F)cc2c1CN(C(=O)C[C@H]1CCCC(=O)N1)CC2 344394827 RETAHASMROEXOX-CQSZACIVSA-N 304.365 2.078 0 50 DEAA O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(F)c1 101431001 UEQZJMYVRMJAMN-KBPBESRZSA-N 316.332 2.106 0 50 DEAA CN1CCN(Cc2ccc(Cl)cc2)C[C@@]12CCNC(=O)CC2 107657138 NABUPSVXKJSTNY-QGZVFWFLSA-N 321.852 2.126 0 50 DEAA CCC(=O)c1ccc(OCC(=O)N2CCC([C@H](C)O)CC2)cc1 55384446 OEVVHIFOCVKOCB-ZDUSSCGKSA-N 319.401 2.278 0 50 DEAA C[C@H](c1ccccn1)N(C)C(=O)c1cccc(S(C)(=O)=O)c1 67740360 AFLVHLUYZRZARJ-GFCCVEGCSA-N 318.398 2.318 0 50 DEAA O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 20209892 IWLKNLVRWUHOBJ-HOTGVXAUSA-N 301.386 2.073 0 50 DEAA Cc1ccc(-c2noc(C[C@H]3CCS(=O)(=O)C3)n2)cc1C 20515665 CZIAXYXVSMICTK-GFCCVEGCSA-N 306.387 2.331 0 50 DEAA Cc1nc(C)n(CCCNC(=O)C2(c3ccccc3F)CC2)n1 65509359 DVEYFHKMJISOCS-UHFFFAOYSA-N 316.380 2.272 0 50 DEAA O[C@@H](COc1ccc(CN2CCCO2)cc1)CN1CCCCC1 20167125 ZCNJCOHBHVCYGE-QGZVFWFLSA-N 320.433 2.050 0 50 DEAA C[C@H]1CCCCN1C1CN(Cc2ccccc2OCCO)C1 65371957 RJTJQMFINXVBHT-HNNXBMFYSA-N 304.434 2.116 0 50 DEAA Cc1cccc(C)c1OC[C@@H](C)NCC(=O)Nc1cnccn1 65498707 XQFQPNWCLXJOKD-CQSZACIVSA-N 314.389 2.089 0 50 DEAA CN(C)CC[C@H]1CCCCN1C(=O)c1cnc(C2CC2)nc1 72425498 FQMHOIDWXGXBJH-OAHLLOKOSA-N 302.422 2.300 0 50 DEAA COc1ccsc1C(=O)N(C)C[C@@H]1CCc2nccn2C1 328616804 CBQGDEGJAILWHG-NSHDSACASA-N 305.403 2.288 0 50 DEAA C[C@@H]1CC(=O)c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)[nH]c2C1 71376388 FADJIOYYICDTJF-COPLHBTASA-N 316.401 2.448 0 50 DEAA O=C(OC[C@H]1COc2ccccc2O1)c1n[nH]c2c1CCCC2 126314795 HBNLDHUVIRVYIH-LLVKDONJSA-N 314.341 2.285 0 50 DEAA O=C1C[C@@H](NC(=O)Nc2ncc(C3CCCCC3)s2)CN1 331730773 PVEAKZMHGOZCKB-SNVBAGLBSA-N 308.407 2.201 0 50 DEAA O=C(c1ccnn1-c1ccccc1)N1CCC[C@H](c2nc[nH]n2)C1 365546313 LGFWMYCWMMRZOH-ZDUSSCGKSA-N 322.372 2.010 0 50 DEAA c1ccc(-n2nnnc2CN2CC[C@@H](Cc3ccncc3)C2)cc1 360386480 XRGJUCJNCFNTIM-INIZCTEOSA-N 320.400 2.122 0 50 DEAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1cccnc1OCC 77427410 LDUPQEKTMWSUAK-CYBMUJFWSA-N 320.389 2.428 0 50 DEAA Cc1ncn(-c2ccc(NC(=O)c3ccn(C)c(=O)c3)cc2)c1C 360932337 UICXNAMZQQZZDS-UHFFFAOYSA-N 322.368 2.440 0 50 DEAA C[C@H](Cc1cccc(Cl)c1)Nc1ccn(CCC(N)=O)n1 282738397 TYEFTXBVOHCMNA-LLVKDONJSA-N 306.797 2.455 0 50 DEAA COCCCN1C[C@]2(CCCN(c3ccccn3)C2)CCC1=O 77520767 PBPYBNSVJOWKMD-GOSISDBHSA-N 317.433 2.327 0 50 DEAA O=C(Cc1cccnc1)N[C@@H](Cn1cccn1)c1ccccc1 78143684 GSBLZMWNQLTJLK-KRWDZBQOSA-N 306.369 2.378 0 50 DEAA O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CC[C@H](c2nc[nH]n2)C1 333540105 ZTFVHUMBZXGEFS-DHSIGJKJSA-N 308.385 2.025 0 50 DEAA CCO[C@@H]1C[C@](NC(=O)[C@@H]2Cc3ccccc32)(C(=O)O)C1(C)C 262849035 WIDODNVLURNBDI-LBTNJELSSA-N 317.385 2.101 0 50 DEAA COc1cccc(SCC(=O)N[C@@H](C)c2n[nH]c(C)n2)c1 219324666 PQMLHRYBKYQDIP-VIFPVBQESA-N 306.391 2.091 0 50 DEAA Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C)ncc1C(N)=O 450000590 VMDHNGHGVQUNBB-LBPRGKRZSA-N 309.369 2.076 0 50 DEAA CCO[C@H]1C[C@H](N(C)C(=O)c2ccc3[nH]nnc3c2)C12CCC2 132956370 RVXJKGGFVFPYBQ-GJZGRUSLSA-N 314.389 2.378 0 50 DEAA O=C(Nc1ccc2c(c1)OCCO2)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 225689049 CZQDHPQTMYYWFI-FCIDVOKBSA-N 317.341 2.143 0 50 DEAA CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)O)nc2)C12CCC2 177808349 FCQLWQLCECDKBI-UONOGXRCSA-N 318.373 2.200 0 50 DEAA O=C(c1cc(Cl)c[nH]1)N1CCCN(C(=O)c2ccco2)CC1 426623138 ZIKAKPVHRPBLFE-UHFFFAOYSA-N 321.764 2.249 0 50 DEAA Cc1nc(NCc2ccc3c(c2)OCO3)cc([C@H]2CCOC2)n1 426389219 GIDOEBWADMIKTI-ZDUSSCGKSA-N 313.357 2.630 0 50 DEAA Cn1cnc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c1 178218289 ZIFNZROKQHCPKV-UHFFFAOYSA-N 317.364 2.037 0 50 DEAA COCC1(CNC(=O)[C@@H](C)NC(=O)c2ccoc2)CCCCC1 290656602 IFFHLJSWKCYQKW-CYBMUJFWSA-N 322.405 2.111 0 50 DEAA COc1ccccc1-c1ccc(C(=O)NCCn2cncn2)cc1 220433658 ZBFYVQOMLRXVGA-UHFFFAOYSA-N 322.368 2.384 0 50 DEAA C[C@H](Cc1cnccn1)NC(=O)c1ccc(OC(F)F)cc1 221446674 LADNZGTXVAVIIK-SNVBAGLBSA-N 307.300 2.439 0 50 DEAA Cc1ccccc1-c1ncc(CN2CCOCS2(=O)=O)s1 91695732 PXVKYIUDFWEBMT-UHFFFAOYSA-N 324.427 2.238 0 50 DEAA COc1ccc(CNC(=O)N2C[C@@H](C)[C@](O)(C(C)C)C2)cc1 91445136 ATMWIISDCSUQEP-CXAGYDPISA-N 306.406 2.244 0 50 DEAA Cc1noc(C)c1CC(=O)N[C@H]1COc2cc(F)ccc2C1 618653452 DXKDXFPKDNRPIB-CYBMUJFWSA-N 304.321 2.093 0 50 DEAA CCc1n[nH]c(C(=O)N[C@H](COC)Cc2ccccc2)c1C 97785218 RKLAYJJQHXVIHN-AWEZNQCLSA-N 301.390 2.268 0 50 DEAA Cn1ccnc1CN[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 238855233 QVWPPHPXMFEBBJ-CYBMUJFWSA-N 320.437 2.299 0 50 DEAA c1ccc(CCn2nc(Cn3cncn3)nc2C2CCC2)cc1 91896197 PDBUDHKSHKHULI-UHFFFAOYSA-N 308.389 2.428 0 50 DEAA CCc1nc(CN(C)[C@@H](C(=O)O)c2cccc(F)c2F)no1 95352334 MQUSTXNKOJJACX-CYBMUJFWSA-N 311.288 2.168 0 50 DEAA COc1ccc([C@H](C(=O)O)N(C)Cc2nc(C)c[nH]2)c(C)c1 95372239 AQPAMNKTLMIPHD-OAHLLOKOSA-N 303.362 2.293 0 50 DEAA Cc1n[nH]c([C@H]2CCCN2CC(=O)NC2CCCCCC2)n1 244708248 KQBOBQFPCNWHCB-CQSZACIVSA-N 305.426 2.089 0 50 DEAA Cc1nc(N2CCC[C@H]2COc2ccccc2)cc2nncn12 299059442 UXZOFOWASQERIY-AWEZNQCLSA-N 309.373 2.481 0 50 DEAA CN(CCc1noc(C2CC2)n1)C(=O)c1n[nH]c2ccccc12 299803101 WQILZWZPVJVEIS-UHFFFAOYSA-N 311.345 2.138 0 50 DEAA Cc1ccc(CC(=O)N(C)c2c(Br)cnn2C)cn1 1875280281 NPXSEFXSNGXFKL-UHFFFAOYSA-N 323.194 2.092 0 50 DEAA C[C@H](ONC(=O)C[C@H]1COc2ccccc2O1)c1ccncc1 1875298033 MMGVHQBJCJFLQJ-JSGCOSHPSA-N 314.341 2.421 0 50 DEAA Cc1ccc(CNc2cccc(CN3CCNC(=O)C3)c2)c(C)n1 1875284674 GPAODFIWECUDQG-UHFFFAOYSA-N 324.428 2.242 0 50 DEAA CCn1ncc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)n1 1875280843 BLOAFWKLGWSYHQ-UHFFFAOYSA-N 320.296 2.118 0 50 DEAA CC(C)c1nc([C@@H]2CN(Cc3cnsn3)C[C@H]2C2CC2)n[nH]1 1875273113 WJOAYZDQZBLPHV-QWHCGFSZSA-N 318.450 2.405 0 50 DEAA C=CC(=O)N(C)c1ccc(C(=O)N2CCOC[C@@H](CC)C2)cc1 1875374058 ZEWCAJGBIBVUBF-AWEZNQCLSA-N 316.401 2.334 0 50 DEAA CSc1cccc(CN(C)C(=O)/C=C/c2cnc(N)nc2)c1 952974952 XJYMBXMVQGUXJH-VOTSOKGWSA-N 314.414 2.453 0 50 DEAA Cc1ncsc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[nH]1 1412702392 JPMYFMRYVKEARV-RXMQYKEDSA-N 305.285 2.079 0 50 DEAA O=C(c1ccnc2ccnn12)N1CCO[C@@H](c2ccccc2)CC1 1338499056 RSYHSTRORXKMON-MRXNPFEDSA-N 322.368 2.333 0 50 DEAA COc1ccc(C2=NO[C@H](CN[C@@H]3C[C@@H](C)O[C@@H]3C)C2)cc1F 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CC(=O)N[C@@H](C)C1=CCCN(Cc2ccc(C(=O)O)cc2)C1 65375099 BWCBLVJAYFPAMJ-LBPRGKRZSA-N 302.374 2.042 0 50 DEAA O=C(O)C1(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)CC1 154864293 ITPUAGHUNKERMP-GFCCVEGCSA-N 309.749 2.105 0 50 DEAA O=C1c2ccccc2C(=O)N1CCSC(=S)N1CCCC1 223075 APLDYKPWASILQY-UHFFFAOYSA-N 320.439 2.397 0 50 DEAA biogenic CC(=O)N1CCC(N2CCC[C@@H]2c2nc(C(C)C)no2)CC1 65406408 YPQGYFYAAMYKRG-CQSZACIVSA-N 306.410 2.341 0 50 DEAA CCN1CCN(C(=O)c2ccc(C)s2)C[C@H]1c1ncc[nH]1 328634505 UAKMWWUAUHBPMW-LBPRGKRZSA-N 304.419 2.299 0 50 DEAA CCOC(=O)C(C)(C)CSc1nnnn1-c1ccccc1 253425573 FJMUIRAEWDETAE-UHFFFAOYSA-N 306.391 2.344 0 50 DEAA CCc1nc(CN2CCN(c3cccc(Cl)c3)CC2)n[nH]1 185163995 TVCPCWMLZZGXSJ-UHFFFAOYSA-N 305.813 2.343 0 50 DEAA Cn1c(Cl)cnc1CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 368789074 BJLUZDIOESDJFF-INIZCTEOSA-N 316.792 2.169 0 50 DEAA C[C@H]1Cc2ccccc2N1CCNC(=O)N1CCOCC[C@H]1C 371542379 KOKNSZPGLPNAPH-CABCVRRESA-N 317.433 2.258 0 50 DEAA O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)N[C@H]1CC12CCOCC2 333215221 KXCLBYIUBQDFEY-YVSFHVDLSA-N 312.413 2.441 0 50 DEAA CCN1CC[C@H]2OCCN(CCc3ccc(F)c(F)c3)[C@H]2C1 339385519 QLCLKJMTTJHKAC-DLBZAZTESA-N 310.388 2.302 0 50 DEAA OC[C@@]1(F)CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 375010929 NKSBIUORTBLAJX-OAHLLOKOSA-N 311.307 2.261 0 50 DEAA CC(C)(C)c1cc(C(=O)N2CCSC[C@@H]2CC(=O)O)no1 262527046 NUWPQDDXJVQPAF-VIFPVBQESA-N 312.391 2.004 0 50 DEAA N[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 132253231 JPACYDICILFCNC-MVWJERBFSA-N 314.307 2.248 0 50 DEAA Cc1cc(F)ccc1S(=O)(=O)NCc1nc2c([nH]1)CCCC2 243758382 QAHVGDIJAMIPTG-UHFFFAOYSA-N 323.393 2.215 0 50 DEAA O=C(c1ccc2[nH]ccc2c1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 286476294 VTCBNWRPDPZTMB-UAGQMJEPSA-N 314.385 2.170 0 50 DEAA CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1 42465847 GGTKNVYXCJSKOT-CYBMUJFWSA-N 319.405 2.417 0 50 DEAA C[C@@H](NC(=O)CCN1CCCCC1)c1nncn1C1CCCC1 220583200 DEZOPAPLRZAXNE-CQSZACIVSA-N 319.453 2.446 0 50 DEAA C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C[C@@H]1CSCCN1 132976978 ASKGGSQRWYXZJC-VNQPRFMTSA-N 304.459 2.486 0 50 DEAA CSc1nc(C(=O)N2CC(n3nc(C)cc3C)C2)cs1 222692902 CQOGQSWEEGMXEO-UHFFFAOYSA-N 308.432 2.375 0 50 DEAA C[C@]1(C(=O)O)CCCCN1C(=O)CCC(=O)N1CCCCCC1 426698189 HCTGHXCBGYOXRC-QGZVFWFLSA-N 324.421 2.025 0 50 DEAA COc1cc(C(=O)O)cc(C(=O)N(C)CC[C@@H]2CCCCO2)c1 426513512 CQMZHAQGHJBASN-AWEZNQCLSA-N 321.373 2.425 0 50 DEAA CC(C)n1nccc1NC(=O)NC[C@H](CO)Cc1cccs1 96163896 WKTFGAKXOWWQCK-GFCCVEGCSA-N 322.434 2.498 0 50 DEAA O=C1CCCCN1CC(=O)N1CC[C@@H](c2ccccc2F)C1 95519174 VNIKKEUUTPBOKL-CYBMUJFWSA-N 304.365 2.154 0 50 DEAA Cc1nn(C)c2nc(N3CCO[C@H](c4cccnc4)C3)sc12 95530797 UGPHYFPQPJRYTB-LBPRGKRZSA-N 315.402 2.311 0 50 DEAA O=C1CC[C@@]2(CCOC2)CN1Cc1nnc(-c2ccccc2)o1 91586306 RBKMBPBQFZUOLY-QGZVFWFLSA-N 313.357 2.266 0 50 DEAA Cc1c([C@@H](C)NC(=O)CN)cnn1-c1cccc2ccccc12 91461318 KCFVBCSGFQAOLL-GFCCVEGCSA-N 308.385 2.470 0 50 DEAA COc1cc(Cl)c(C)cc1NC(=O)N[C@H](C)c1nnn[nH]1 95531622 BUPRFWFWLQYDNS-SSDOTTSWSA-N 310.745 2.053 0 50 DEAA Cc1cc(N2CCN(Cc3ccccc3)C[C@H](O)C2)cc(C)n1 95500864 DERJUQWTAARMRI-IBGZPJMESA-N 311.429 2.382 0 50 DEAA CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)c1cccnc12 91302960 DJFBDYSETMLRIJ-UHFFFAOYSA-N 317.389 2.094 0 50 DEAA CCc1nc2n(n1)CCC[C@H]2NC(=O)c1c[nH]nc1C(C)(C)C 295027045 QZBGGIKFYNZDHR-LLVKDONJSA-N 316.409 2.126 0 50 DEAA CC(C)c1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H](CO)C2)cc1 621310365 RZEKNUDFAJCMIM-DZGCQCFKSA-N 311.447 2.449 0 50 DEAA CCC1=NO[C@H](C(=O)NCCCc2nc3ccccc3o2)C1 244787782 QDQBAJUDFMJIGU-AWEZNQCLSA-N 301.346 2.432 0 50 DEAA CCN(Cc1cc(O)c(OC)cn1)C[C@@H](O)c1cccc(O)c1 244633149 FXOWUQIVPXMXAQ-MRXNPFEDSA-N 318.373 2.057 0 50 DEAA Cc1cnn(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1 257354883 CXPKONGEDQYMCW-UHFFFAOYSA-N 308.382 2.102 0 50 DEAA Cc1cnn([C@H](C)CNS(=O)(=O)c2cc(F)ccc2C)c1 534670810 OYTYDJCUWPXTJY-GFCCVEGCSA-N 311.382 2.179 0 50 DEAA COC(=O)[C@H]1CC12CCN(Cc1ccc(-c3cc[nH]n3)o1)CC2 571363795 XKSADLUARPFHHD-CYBMUJFWSA-N 315.373 2.445 0 50 DEAA CC[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1nonc1C 822560069 SCEOWYKDGPNJGB-SNVBAGLBSA-N 316.361 2.293 0 50 DEAA Cc1ocnc1C(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 584894844 YQEONTUYZHLDHK-QGZVFWFLSA-N 311.341 2.109 0 50 DEAA CCc1nn(C)c2c(=O)n([C@@H](C)c3nc(C)cs3)cnc12 584896416 LSSNQTSSUUQJPO-VIFPVBQESA-N 303.391 2.067 0 50 DEAA O=C(O)[C@H]1CCCCN1C(=O)c1cccc(-c2cnco2)c1 863981654 DTBSHONRQDOZQP-CYBMUJFWSA-N 300.314 2.421 0 50 DEAA CC[C@H](Oc1ccccc1F)C(=O)NCC1(n2cccn2)CC1 952995386 KOBXMXJPJXNURE-AWEZNQCLSA-N 317.364 2.485 0 50 DEAA c1cnc2[nH]cc(Cc3noc([C@H]4CCCc5nn[nH]c54)n3)c2c1 1329965042 YKBIPTQVOYYEMN-NSHDSACASA-N 321.344 2.123 0 50 DEAA COCc1cc(C2CN(C[C@@H](O)c3ccc(F)cc3)C2)no1 886079618 MNVISRGOAVRRPV-MRXNPFEDSA-N 306.337 2.093 0 50 DEAA Cc1nc(=NC(=O)[C@H]2CC2(F)F)n(-c2ccc(F)cc2C)[nH]1 888876092 BVEQMYPXPBBXAY-SNVBAGLBSA-N 310.279 2.039 0 50 DEAA O=C(c1conc1C(F)(F)F)N1CCN(C2CCCC2)CC1 1361637629 QIZOFCFLBHYLLJ-UHFFFAOYSA-N 317.311 2.394 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)Nc2ccn(C3CCCCC3)n2)C1 1594925945 RGWZVWHKWJNHKE-LLVKDONJSA-N 306.366 2.327 0 50 DEAA Cc1nc([C@@H]2CCCCN2C(=O)c2ccc3cncn3c2)n[nH]1 408473561 XWHUZRBHAKAUSU-AWEZNQCLSA-N 310.361 2.128 0 50 DEAA C/C(=C\C(=O)N1CCOC[C@H]1c1ncon1)c1ccc(F)cc1 222059316 RSKKPVXGTGTJPL-ZHZWZMEUSA-N 317.320 2.212 0 50 DEAA CC(C)Cc1c[nH]c(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1 412114137 AJZADDLGABDMKX-AWEZNQCLSA-N 315.421 2.357 0 50 DEAA COc1ccnc(C(=O)NC[C@@H](C(=O)O)C2CCCCC2)c1 630265412 OGCRVGDUIRBACD-CYBMUJFWSA-N 306.362 2.101 0 50 DEAA O=C1C[C@@H](c2nc(O)c3c(F)cccc3n2)CN1CC1CC1 675625388 BSWSXOBUGLSDDW-SNVBAGLBSA-N 301.321 2.200 0 50 DEAA COc1cc(NCCCNC(=O)Nc2ccccc2F)ncn1 583651994 XRUCRAMBOZTKIJ-UHFFFAOYSA-N 319.340 2.248 0 50 DEAA COc1ccc([C@@H](Nc2nc(=O)c3cn[nH]c3[nH]2)C(C)C)cc1 170598791 JQTBGCWWHRXATN-ZDUSSCGKSA-N 313.361 2.464 0 50 DEAA CC1=CCC[C@@H](C)[C@H]1CN(C)C1CCN(S(C)(=O)=O)CC1 170604365 VJFMRWKUJQPHEF-ZBFHGGJFSA-N 314.495 2.335 0 50 DEAA CC(C)C(=O)N[C@@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 170621632 SVHMEHQHAMIKMQ-IVZQSRNASA-N 322.474 2.031 0 50 DEAA Cc1ccc([C@@H](NC[C@@H](O)Cn2cccn2)c2ccccn2)cc1 280213181 VEESBJFCHWYVSF-IEBWSBKVSA-N 322.412 2.327 0 50 DEAA CS(=O)(=O)Nc1nnc(SCc2cccs2)s1 186455578 KDQJNHRXNVQVDV-UHFFFAOYSA-N 307.447 2.263 0 50 DEAA O=C(O)[C@H](CNC(=O)[C@@H]1CCc2cccnc21)Cc1ccccc1 585139493 BEYBTUDOXXFJCQ-JKSUJKDBSA-N 324.380 2.171 0 50 DEAA CC(C)[C@@H](C(=O)NCc1nnc(C2CC2)o1)N1CCCCC1 186920892 OBPNACNTRMXPIV-AWEZNQCLSA-N 306.410 2.074 0 50 DEAA CN(CCc1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1=O 191777038 OMWIWGPEKTUANE-GOSISDBHSA-N 309.413 2.357 0 50 DEAA O=C(NC[C@@H]1C[C@H]1C1CCCCC1)N1CC[C@H](n2cncn2)C1 652810302 PFVIKENUHGFXTR-JYJNAYRXSA-N 317.437 2.451 0 50 DEAA C1CCn2c(nnc2CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 195563017 FSPRKRORBUGYLG-MAZHCROVSA-N 302.422 2.052 0 50 DEAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCCN(CC3CC3)C2)cc1 663145111 VEVWKYYJZBPSJC-AWEZNQCLSA-N 316.401 2.237 0 50 DEAA CCn1nc(CC(C)C)cc1C(=O)Nc1cnn2c1NCCC2 1506419489 QQHLMYOWWJVEBI-UHFFFAOYSA-N 316.409 2.366 0 50 DEAA Cc1cc(Cl)c(S(=O)(=O)N(C)CC[C@H](C)O)c(C)c1O 1615587088 IVDDKCGLFMIVON-VIFPVBQESA-N 321.826 2.054 0 50 DEAA C[C@H]1CCCN(C(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)C1 13667807 FTEISQTUVOOJBT-KBPBESRZSA-N 324.446 2.100 0 50 DEAA CCN(CC)CCN(C)Cc1ccc(OC)c(OC)c1OC 19636323 NGDMZCRFPWBTGW-UHFFFAOYSA-N 310.438 2.486 0 50 DEAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Cl)cc1F 169297358 KUYZAYUAAQGKMW-WYUUTHIRSA-N 313.712 2.296 0 50 DEAA CN1CCN(CCn2ccnc2-c2cccc3cnccc23)C1=O 1857705537 LLEVXPFFRYGNIK-UHFFFAOYSA-N 321.384 2.466 0 50 DEAA Cc1ccc(OCCCN(C)C[C@@H](O)C2CCNCC2)c(C)c1 1857670858 GMPKZOVTYGSUDA-GOSISDBHSA-N 320.477 2.365 0 50 DEAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)CCc1c(C)noc1C 1857680223 IKMIOSWVOYWQOF-DXCKQFNASA-N 320.389 2.468 0 50 DEAA O=C(CNc1cccnc1)N[C@H](Cn1cccn1)c1ccccc1 1857681294 HRTSMWPRTZAXBC-QGZVFWFLSA-N 321.384 2.248 0 50 DEAA COc1ccc(F)c2[nH]c(C(=O)N3CCC[C@H]3C(=N)O)cc12 331485079 METWKPARKKPDIP-NSHDSACASA-N 305.309 2.455 0 50 DEAA O=C(c1cnn(Cc2ccccc2)c1)N1CCCC[C@H](CO)C1 371278597 BGPBHOLVWNWSQX-INIZCTEOSA-N 313.401 2.166 0 50 DEAA CCOCCCC(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 372584722 ILHSDCBVNGYBQN-VQFNDLOPSA-N 302.418 2.050 0 50 DEAA CCC(CC)n1ncc(C(=O)N[C@H](CO)c2ccccn2)c1C 585087752 NDFOZWUQQSTNKR-MRXNPFEDSA-N 316.405 2.411 0 50 DEAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1ccc2c(c1)CCC2 262857448 DWKWRVYCPDZTTN-INIZCTEOSA-N 317.385 2.033 0 50 DEAA Cc1cc(CS(=O)(=O)N[C@H]2CCc3c(F)cccc32)no1 265279584 AJMZEIOXKHBCJO-AWEZNQCLSA-N 310.350 2.229 0 50 DEAA Cc1cc(C)n(-c2ccccc2NS(=O)(=O)N2CCCC2)n1 265729932 AYCSXFWTBBYJRY-UHFFFAOYSA-N 320.418 2.242 0 50 DEAA C[C@@H]1CC[C@](CO)(N(C)[C@H]2CCCN(CC(F)(F)F)C2=O)C1 390835071 CBEHSNQLPBTGTA-DYEKYZERSA-N 322.371 2.023 0 50 DEAA Cc1ncsc1CNc1ccc(C(=O)N[C@H](C)C(=O)O)cc1 901714743 WIWWBILRHXYIBC-SNVBAGLBSA-N 319.386 2.267 0 50 DEAA Cc1cc(C(=O)N2CCCCCO2)cc(C)c1OCC(=O)O 911803701 UZVOJWNRJBEWFH-UHFFFAOYSA-N 307.346 2.325 0 50 DEAA CC[C@H](CO)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 822640342 WSANKYBNDLGUBG-TZMCWYRMSA-N 310.413 2.208 0 50 DEAA CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1 3905794 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CN1CC[C@H](NC(=O)c2cc[nH]n2)[C@H]1c1ccc(Cl)cc1 241338655 MCTPQFLEWGJXQM-GXTWGEPZSA-N 304.781 2.238 0 50 DEAA CC(C)(C)n1cc(C(=O)NCCc2ccc(C(=O)O)cc2)cn1 236764614 OFXAISCKKUHHRR-UHFFFAOYSA-N 315.373 2.309 0 50 DEAA COc1cccc(CNC(=O)c2cc(-n3cccn3)ccn2)c1 128066811 HPJCLKFKWUTHBL-UHFFFAOYSA-N 308.341 2.206 0 50 DEAA C[C@@H]1C[C@H](N)CCN1C(=O)Cc1ccc(Br)s1 237396533 SYXIMZAWWGZUDC-RKDXNWHRSA-N 317.252 2.391 0 50 DEAA CCOC(=O)N1CCC(NC(=O)[C@H]2CCc3ccccc32)CC1 215886709 IBMFHNAISZEVNU-INIZCTEOSA-N 316.401 2.454 0 50 DEAA CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1c1ccc(C)o1 374222188 ISMXDBHQMKVKLM-CHWSQXEVSA-N 308.403 2.173 0 50 DEAA Cn1ncc2c(N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)ccnc21 285197085 WIHSVVCRXQBIGK-BJJXKVORSA-N 300.406 2.488 0 50 DEAA Cc1nccc(N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)n1 174678189 MTJKXELUJYYDIH-UHFFFAOYSA-N 324.428 2.411 0 50 DEAA COc1cccc2c1OCCCN(C(=O)[C@H]1CCC[C@@H](O)C1)C2 222466812 SXYSRFQKWPMRPC-DZGCQCFKSA-N 319.401 2.357 0 50 DEAA Cc1noc(C)c1C(C)(C)c1nc(-c2ccc(=O)n(C)c2)no1 288934955 AJFYSUQDEYOHDL-UHFFFAOYSA-N 314.345 2.366 0 50 DEAA O=C(O)c1ccc(C(=O)N2CCOC3(CCCCCC3)C2)cn1 177803796 PFQOYDLBRALBMQ-UHFFFAOYSA-N 318.373 2.345 0 50 DEAA Cc1noc(C)c1CCCNc1cc(C2CC(O)C2)ncn1 220307304 PWZGQWRBYJHWRJ-UHFFFAOYSA-N 302.378 2.364 0 50 DEAA O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(C2CC2)on1 178336932 XLEVHLTVKIVJEH-CYBMUJFWSA-N 317.389 2.073 0 50 DEAA CCc1nn(C)c(CC)c1CC(=O)N1CC[C@@H]1C(F)(F)F 615029917 LAVZSQBGWZBKFZ-GFCCVEGCSA-N 303.328 2.251 0 50 DEAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(OC)c(F)c1 82098064 WKUSZYZLWWEXPD-CQSZACIVSA-N 322.380 2.307 0 50 DEAA CCCc1cncnc1N1CCC(N[C@@H]2CCSC2)CC1 95505686 BLBSRDDVUQHGDI-OAHLLOKOSA-N 306.479 2.493 0 50 DEAA COC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C)C2 91893732 GJNYWPDAZSJDRW-HNNXBMFYSA-N 316.401 2.481 0 50 DEAA CN(CCc1cnn(C)c1)C(=O)[C@@H]1CCOc2ccccc2C1 96138789 RQYPZMLJZSTLDK-MRXNPFEDSA-N 313.401 2.062 0 50 DEAA CCCn1ncc(C(=O)N(C)Cc2n[nH]c3c2CCC3)c1C 91625609 ZFWAQNGGBURCPQ-UHFFFAOYSA-N 301.394 2.086 0 50 DEAA Cc1cnn(CCCN2CCC([C@H](O)c3ccccn3)CC2)c1 244817205 SWADIKHCTYVHGJ-SFHVURJKSA-N 314.433 2.422 0 50 DEAA Cc1n[nH]cc1CNC(=O)NC1CCN(c2ccccc2)CC1 299107923 NNPAIUGPEUVFTF-UHFFFAOYSA-N 313.405 2.186 0 50 DEAA C=CC(=O)N(C)CC(=O)N1CCC[C@]1(C)Cc1ccccc1 860882455 IALMOPKMEQIKTR-GOSISDBHSA-N 300.402 2.255 0 50 DEAA Cc1csc([C@@H](C)NC(=O)c2nnc3n2CCCCC3)n1 584897353 MCUDCPDTIVUVBB-SNVBAGLBSA-N 305.407 2.260 0 50 DEAA Cc1ccnc([C@H](NC(=O)c2cc(C(F)F)n(C)n2)C2CC2)n1 1875271653 KNSGTTVYRDPOOT-GFCCVEGCSA-N 321.331 2.337 0 50 DEAA Cc1ccc(F)cc1C1(C(=O)NS(=O)(=O)[C@H]2C[C@H]2C)CC1 1875298690 KIHGJIHQBUUCJX-MFKMUULPSA-N 311.378 2.020 0 50 DEAA CC(C)(C)c1cc(NS(=O)(=O)c2cnn3ccccc23)on1 1875279786 DIMUYCMDLSVBJR-UHFFFAOYSA-N 320.374 2.421 0 50 DEAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCOC4(CCCC4)C3)n[nH]c21 1875394114 VYLLIQSNRULLOU-NEPJUHHUSA-N 319.405 2.217 0 50 DEAA CNC(=O)c1ccc(OC)c(NC(=O)CCCn2cccc2)c1 888103485 JXYJMGAHPRBNLH-UHFFFAOYSA-N 315.373 2.275 0 50 DEAA COc1cccc(-c2n[nH]cc2CN[C@H]2CCC[C@H]2C(=O)O)c1 1604855147 RMHZDKWRNFDSBR-CABCVRRESA-N 315.373 2.428 0 50 DEAA Cc1cc(C)n(CCN[C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)n1 886074704 POBJVHUOTZGFRP-DLBZAZTESA-N 317.437 2.397 0 50 DEAA Cc1ccc2c(c1)CC[C@@H](C(=O)N(C)Cc1cccc(O)n1)O2 887162476 MDCAPHVSFDSZHX-INIZCTEOSA-N 312.369 2.448 0 50 DEAA Cn1c(O)nc2ccc(C(=O)N3CC[C@H](C(F)(F)F)C3)cc21 888013483 JIQMCKWFSOTYNQ-VIFPVBQESA-N 313.279 2.303 0 50 DEAA CCc1c(COC)[nH]c(-c2ccc(CN(C)C)cc2)nc1=O 1776003615 AUQSBCCYXBBEAF-UHFFFAOYSA-N 301.390 2.207 0 50 DEAA O=C1Nc2ccccc2CC[C@H]1NCc1cnc2ccccn12 1461603765 FMZLWGBTPLPZKH-MRXNPFEDSA-N 306.369 2.377 0 50 DEAA CCOc1cc(N2CCN[C@H](c3ccc(O)cc3)C2)nc(C)n1 1364235209 MWKOBJYCIBTSGQ-HNNXBMFYSA-N 314.389 2.040 0 50 DEAA CC[C@@H]1CN(C)CCN1c1cc(-c2ccccc2)nc2ncnn12 585085906 PHNFRFIJNXPKFT-OAHLLOKOSA-N 322.416 2.322 0 50 DEAA CO[C@H](CN[C@H](C)[C@H](c1ccccc1)N(C)C)[C@H]1CCOC1 585117759 VYKMOWRMNBZHJQ-BZZMCLGOSA-N 306.450 2.319 0 50 DEAA Cc1cnc(C[S@](=O)c2ccc3c(c2)OCCCO3)cn1 170615905 NLLTUDGQUJXROO-NRFANRHFSA-N 304.371 2.254 0 50 DEAA O=C([C@H]1CC12CCS(=O)(=O)CC2)N1CCCc2ccccc21 187537863 DNRGOOYXJSRNSC-CQSZACIVSA-N 319.426 2.181 0 50 DEAA C[C@H]1CN(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CCCO1 171249050 JDQVKNODJAJAMR-LBPRGKRZSA-N 317.389 2.222 0 50 DEAA O=C(O)c1ccc(CCC(=O)N2CCN3CCCC[C@H]3C2)cc1 740123121 YXQATUWHULEMMF-INIZCTEOSA-N 316.401 2.014 0 50 DEAA COCCC(=O)N1CCC(N[C@H](C)c2cccc(O)c2)CC1 194932317 CCPYYHSDQHVRNM-CYBMUJFWSA-N 306.406 2.070 0 50 DEAA O=C(O)c1nccnc1N1CCCN(C2CCCCC2)CC1 1506405897 XNOVUBVJNRFTIQ-UHFFFAOYSA-N 304.394 2.020 0 50 DEAA CC(C)(C(=O)N1C[C@@H](O)[C@H](Cc2ccncc2)C1)c1ccccc1 1529102159 YTVDAEVLXGRWQG-SJLPKXTDSA-N 324.424 2.421 0 50 DEAA Cc1ccc(Cl)c(CN2CC[C@H](C(=O)O)[C@H](O)C2)c1F 1704315864 PSUJVNGBPXCOJD-JOYOIKCWSA-N 301.745 2.055 0 50 DEAA O=C(Nc1ccc(Cl)cc1)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772710729 OIVWSYBXNSAHHR-BMIGLBTASA-N 324.764 2.295 0 50 DEAA CC(C)(C(=O)N[C@H](CO)C(C)(C)C)C1=N[C@H](C(C)(C)C)CO1 5496414 WEXMWJMLADRXAH-NEPJUHHUSA-N 312.454 2.379 0 50 DEAA O=C(N[C@@H]1CC(=O)N(CCCc2ccccc2)C1)c1ccoc1 12574694 BETXWZAVWVMLRC-MRXNPFEDSA-N 312.369 2.243 0 50 DEAA CCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 13583273 VOLKDHJWCFPTME-UHFFFAOYSA-N 312.435 2.165 0 50 DEAA CNCc1cn(CC2CCN(C[C@H]3CC=CCC3)CC2)nn1 19147716 KTVZLVPFXDZMRQ-HNNXBMFYSA-N 303.454 2.066 0 50 DEAA Cc1cccc(CNC(=O)CN2CC[C@H](c3ccncc3)C2)c1 408518976 OCXDYVVMPKWIMW-SFHVURJKSA-N 309.413 2.496 0 50 DEAA Cc1n[nH]c(C)c1CCNC(=O)c1cc(C)n(C(C)(C)C)n1 616034422 OXPBHIHANVWJJT-UHFFFAOYSA-N 303.410 2.259 0 50 DEAA CS(=O)(=O)c1ccc(-c2noc(CC3CCOCC3)n2)cc1 117541629 VSELZTRVERVLNA-UHFFFAOYSA-N 322.386 2.109 0 50 DEAA COc1cc(-c2cccc(C(=O)N3CC=C(C)CC3)c2)nc(N)n1 426444714 VWSCIYAXFIMFIO-UHFFFAOYSA-N 324.384 2.527 0 50 DEAA in-vitro O=C(Cn1nnc(-c2ccccc2)n1)NC1CCC(F)(F)CC1 332251763 CMHXZFVMGAGXRM-UHFFFAOYSA-N 321.331 2.034 0 50 DEAA CN(C(=O)CN1CCC[C@@H]1c1nc2c(n1C)CCCC2)C1CC1 344387092 SLKBVRGHARJGRG-MRXNPFEDSA-N 316.449 2.057 0 50 DEAA CC(C)[C@H](C(=O)Nc1cnsn1)N1Cc2ccccc2C1=O 905490648 ACLWITHJIDJZRN-CYBMUJFWSA-N 316.386 2.157 0 50 DEAA Cc1nc(C)c(F)c(N2C[C@@H]3CCC[C@]3(c3nnc(C)o3)C2)n1 912373733 PZTVRJMEAUIBRM-LRDDRELGSA-N 317.368 2.482 0 50 DEAA Cc1nnc([C@H]2CN(C(=O)C(F)=C3CCCC3)C[C@@H](C)O2)o1 855975145 DKLOPRVVWMTTSE-BXKDBHETSA-N 309.341 2.464 0 50 DEAA COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1OC 615899 GVOQVIUIGUCBME-OLZOCXBDSA-N 321.373 2.211 0 50 DEAA O=S1(=O)CC[C@@H](SCc2nnc(-c3ccccc3)o2)C1 4520580 GQANBQXOWXVPLG-LLVKDONJSA-N 310.400 2.157 0 50 DEAA Cc1ncccc1C(=O)N1CC[C@@H](CC(=O)O)C(F)(F)CC1 2325784512 PNKGTTJXZMVMKO-NSHDSACASA-N 312.316 2.352 0 50 DEAA Fc1cc2c(=NCCN=c3cc[nH]cc3)[nH]cnc2cc1Cl 2325857408 APBOWMKNXPXRAC-UHFFFAOYSA-N 317.755 2.185 0 50 DEAA COc1sccc1S(=O)(=O)Nc1cccc2c1NC(=O)C2 2325866521 OAFHLRURXSPXNB-UHFFFAOYSA-N 324.383 2.052 0 50 DEAA CC[C@@]1(C)CN(C(=O)Nc2cnn(-c3ccccn3)c2)CCO1 225507462 KYNDMCLMXPFUMZ-INIZCTEOSA-N 315.377 2.300 0 50 DEAA C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1F 615173 BWRJXSAVLBDVKO-NSHDSACASA-N 322.361 2.131 0 50 DEAA Cc1oc(-c2cccs2)nc1C(=O)NC1(C(=O)O)CCC1 225551490 QUGDRPSMVZFENQ-UHFFFAOYSA-N 306.343 2.449 0 50 DEAA O=C1CCCN1c1ccc(S(=O)(=O)NC2CCCCC2)cc1 9269516 AMXASCNLPNGPSA-UHFFFAOYSA-N 322.430 2.424 0 50 DEAA Cc1ccc(Cl)cc1N1CCN(CC(=O)NC2CC2)CC1 55060320 LYMWCCTXIGRCBE-UHFFFAOYSA-N 307.825 2.049 0 50 DEAA Cc1ncsc1CCC(=O)N(Cc1nccn1C)C1CC1 65372716 INYPPZAPJDVMIZ-UHFFFAOYSA-N 304.419 2.309 0 50 DEAA CC(C)c1nccc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)n1 67723000 FERITTIFHQWDJI-KRWDZBQOSA-N 302.422 2.158 0 50 DEAA CCc1cc(NC[C@@H](O)COc2ccccc2)n2nccc2n1 72165449 PYMGXXAFRUZVII-CQSZACIVSA-N 312.373 2.144 0 50 DEAA O=S(=O)(NCc1ccccc1)Nc1ccc2nc[nH]c2c1 71416189 GZYQBCUCTMTNQL-UHFFFAOYSA-N 302.359 2.009 0 50 DEAA COc1ccccc1-n1c(S)nnc1-c1cc(C)nn1C 213964 DBVIMIMAFWRJIL-UHFFFAOYSA-N 301.375 2.274 0 50 DEAA COc1ccc(C)cc1-n1ccc2c(cnc3nc(C)nn32)c1=O 30875129 OZVLFOXIHGDCGH-UHFFFAOYSA-N 321.340 2.054 0 50 DEAA O=C(c1cccc2ncccc12)N1CC[C@@H](N2CCCC2=O)C1 330086872 SLOPFXBVEPVKHL-CYBMUJFWSA-N 309.369 2.072 0 50 DEAA COc1c(CNc2ccc(N3CCC3=O)cc2)c(C)nn1C 282177394 JSVSIXDPHRCRFT-UHFFFAOYSA-N 300.362 2.086 0 50 DEAA CC1CCN([C@H](C)CNC(=O)c2cc3c(cn2)OCCC3)CC1 360318969 OQRFSZVIRDWEPT-CQSZACIVSA-N 317.433 2.257 0 50 DEAA CC(=O)N(C1CCC1)[C@H]1CCCN(C(=O)[C@@H]2CCCOC2)CC1 328648765 USFUQHLWGPTCIN-WBVHZDCISA-N 322.449 2.195 0 50 DEAA Cc1ccc(-n2ccc3c(c(C)nc4ncnn43)c2=O)cc1C 72116012 VKJYUAMHMKMOQD-UHFFFAOYSA-N 305.341 2.354 0 50 DEAA CC(C)c1nc([C@H]2CN(c3ncnc4[nH]ccc34)CCO2)no1 364103478 OUQZLEJFZAYNCH-LLVKDONJSA-N 314.349 2.042 0 50 DEAA O=C(c1cccc(CO)c1)N1CC[C@]2(C1)OCc1ccccc12 368163596 MPVSAZOBXHZEHI-LJQANCHMSA-N 309.365 2.451 0 50 DEAA CC(C)Oc1cccc(Cn2nnnc2C2CCOCC2)c1 331846284 DDDXKXDPAWNIEY-UHFFFAOYSA-N 302.378 2.403 0 50 DEAA COCc1nc([C@H]2CCCCN2Cc2cncc(C)c2)n[nH]1 331957588 PCBIJIZZZBCPNU-CQSZACIVSA-N 301.394 2.382 0 50 DEAA CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1CCNC1 237170827 PJXYPAMUIGQJPT-JTQLQIEISA-N 302.296 2.153 0 50 DEAA COc1ccccc1C/C(C)=C/C(=O)N1CCC[C@@H]1C(=O)O 237114797 OLJWVDSCNLPHDY-GCZGRYASSA-N 303.358 2.260 0 50 DEAA Cc1cccc([C@@H](C)NC(=O)c2nc3ccccc3[nH]c2=O)n1 218923403 UJUYQODSGOEXQJ-LLVKDONJSA-N 308.341 2.118 0 50 DEAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)CCc2ccccc2)C1 379265710 JRJMRPCZNREBNK-CHWSQXEVSA-N 300.324 2.500 0 50 DEAA Cc1cc(C(=O)NCCn2cnnc2)c2ccc(C)c(C)c2n1 77342596 GGTCLKYKWHZTAH-UHFFFAOYSA-N 309.373 2.182 0 50 DEAA C[C@@H](C(=O)Nc1ccnc(OCc2ccccc2)c1)n1cncn1 242317027 YWRBZDRFPVGCOY-ZDUSSCGKSA-N 323.356 2.452 0 50 DEAA COCCn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387654 YLYSRFNTPHPMLT-UHFFFAOYSA-N 320.352 2.358 0 50 DEAA C[C@H](N(C)S(=O)(=O)c1cccc2c1OCCO2)C1(C)CC1 176789877 RPSZPKSWTUTDQQ-NSHDSACASA-N 311.403 2.267 0 50 DEAA COc1ccc(NC(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1OC 177090088 WMDTUQPSABTIRG-GXTWGEPZSA-N 319.405 2.404 0 50 DEAA CCCn1ncnc1[C@H](C)NC(=O)c1nn(CC)cc1Cl 426526870 MQMYSCLOCSTQQK-VIFPVBQESA-N 310.789 2.049 0 50 DEAA O=C(NC[C@H]1CCCCO1)N1CCC(Oc2ccncc2)CC1 426489962 CYMGDUZAZBHPQF-MRXNPFEDSA-N 319.405 2.204 0 50 DEAA Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)c2ccsc2)cn1 222928578 GLIPKLGCKXDUEZ-CABCVRRESA-N 318.398 2.418 0 50 DEAA Cc1cccc([C@H](NC(=O)CCN2CCCCC2=O)C2CC2)n1 97301309 QLTHKYISQOSWPM-GOSISDBHSA-N 315.417 2.360 0 50 DEAA CCCN1CCN(C(=N)C[C@@H]2COc3ccccc3O2)CC1 96027856 QNBDFKBGKGMAOP-CQSZACIVSA-N 303.406 2.221 0 50 DEAA Cc1nc(NC[C@H]2OCCc3ccccc32)c2cnn(C)c2n1 95362763 MSTALCKXEGYYQZ-OAHLLOKOSA-N 309.373 2.398 0 50 DEAA CCC[C@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)C[C@@H]1N 92002155 WLDZDECZORVRJU-HZMBPMFUSA-N 314.788 2.444 0 50 DEAA CN1C[C@H](c2ccccc2)CC12CCN(CCC(=O)O)CC2 95526421 GVBTWZLOPQDTKT-MRXNPFEDSA-N 302.418 2.415 0 50 DEAA Cc1nccn1CCN(C)CCC(=O)Nc1ccccc1F 244707977 KLEDDAGAIDWBTN-UHFFFAOYSA-N 304.369 2.291 0 50 DEAA CC[C@H](C)[C@H](CO)NC(=O)c1cccc2c1ccn2CCOC 252502647 USJPTBCPEMDHEI-BBRMVZONSA-N 318.417 2.425 0 50 DEAA Cc1ccc(C2(C(=O)N[C@H](C)c3ncon3)CCOCC2)cc1 182543827 CJTMWJSLCXQNNG-CYBMUJFWSA-N 315.373 2.304 0 50 DEAA CCO[C@H]1COC[C@@H]1NC(=O)C(C)(C)Oc1ccc(C)cc1 299795294 KNYGTISUIDVFBX-GJZGRUSLSA-N 307.390 2.073 0 50 DEAA COc1ccc(-c2n[nH]c(-c3cccc(C)c3N)nc2=O)cc1 585152460 KEHTWCJBTDWDKZ-UHFFFAOYSA-N 308.341 2.398 0 50 DEAA CCN1CC[C@H](CN(C)S(=O)(=O)c2cc(C)sc2C)C1 670453395 ISDYBQIKCMMMRZ-CYBMUJFWSA-N 316.492 2.327 0 50 DEAA CCOC(=O)N1CCC(N2CCC[C@H](c3ccncn3)C2)CC1 670447809 QWDZDSMPOVDXEG-AWEZNQCLSA-N 318.421 2.277 0 50 DEAA CCc1noc(CC)c1CC(=O)n1c2ccccc2c(=O)n1C 875944373 BVNXNVLWSDYGJY-UHFFFAOYSA-N 313.357 2.336 0 50 DEAA CCC1(CO)CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875293526 SZLNXIJHICCNDV-NWDGAFQWSA-N 321.421 2.057 0 50 DEAA COc1ccc(OC)c(S(=O)(=O)Nc2csnc2C)c1 1875281211 VSKPMUOPJSYHRK-UHFFFAOYSA-N 314.388 2.270 0 50 DEAA Cc1ccc(CC(=O)NCc2nc(C(=O)O)c(C)s2)s1 1875394097 VHMVNWRBGUGMPO-UHFFFAOYSA-N 310.400 2.379 0 50 DEAA C[C@H](C(=O)O)C1CCN(C(=O)c2cc3c(ncn3C)s2)CC1 1875321703 RNCYTEWAXOOIKJ-VIFPVBQESA-N 321.402 2.208 0 50 DEAA Cc1cc(=O)c(C(=O)Nc2cccc(-c3cnc[nH]3)c2)cn1C 952983640 QDVICNQNDZZJBW-UHFFFAOYSA-N 308.341 2.336 0 50 DEAA 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242140851 WPUVSQCGQQWGMJ-IJLUTSLNSA-N 316.409 2.010 0 50 DEAA CCn1cc(CN2CCC[C@@H](OCc3cccnc3)C2)cn1 72148018 UAXXUIVPUSQFGE-QGZVFWFLSA-N 300.406 2.479 0 50 DEAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C[C@H](O)c1ccc(F)cc1 285033959 ZTGGOBLDXTXKOV-BDXSIMOUSA-N 323.408 2.111 0 50 DEAA Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1ccc(C(=O)O)cc1 263576451 QKTIWZXHHSFNAW-OAHLLOKOSA-N 315.373 2.298 0 50 DEAA CNC[C@@H]1CCN(C(=O)CCCOc2ccc(F)cc2F)C1 178966331 KFCCYDCPIFKMDC-LBPRGKRZSA-N 312.360 2.192 0 50 DEAA O=C(NCc1csc2c1CCCC2)[C@@H]1CC(=O)N(C2CC2)C1 92046727 HIQLJTGNHJABKL-LLVKDONJSA-N 318.442 2.254 0 50 DEAA COCCN(Cc1ccsc1)C(=O)c1c(C)cc(C)[nH]c1=O 91679401 WLXYKRBQHQYVSC-UHFFFAOYSA-N 320.414 2.342 0 50 DEAA C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1C(=O)OC(C)(C)C1=O 95525301 JPKRQUKYUNDEOK-SNVBAGLBSA-N 322.336 2.103 0 50 DEAA C[C@@H](CN(C)C)NC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1 426382891 IPVPCALUVQAQHK-NSHDSACASA-N 306.385 2.399 0 50 DEAA CCC[C@@H](NC(=O)c1cc(Br)cs1)C(=O)O 180190927 LWCQOBUZHUTKKG-SSDOTTSWSA-N 306.181 2.494 0 50 DEAA CN(C)c1nc(NCCc2nc3ccc(F)cc3[nH]2)ncc1F 95358639 ZWNVDJXITMOMDV-UHFFFAOYSA-N 318.331 2.352 0 50 DEAA CN(CCCc1cnn(C)c1)C(=O)[C@H]1COc2ccccc2C1 91649888 AOOONXSZIMJMET-MRXNPFEDSA-N 313.401 2.062 0 50 DEAA CCc1nocc1CN(C)C(=O)[C@@H]1CCCN1CC(F)(F)F 294211064 SYFUFHKDCKBVJD-LBPRGKRZSA-N 319.327 2.222 0 50 DEAA Cc1ccc(-c2nc([C@H]3CCNC3)n(CC(F)(F)F)n2)o1 96161122 MDIPQZBFZHSQBB-VIFPVBQESA-N 300.284 2.486 0 50 DEAA O=C(C[C@H]1CCc2ccccc21)NCc1cnn2cccnc12 91452695 BLVLRDFUYGNIQV-CQSZACIVSA-N 306.369 2.466 0 50 DEAA Cc1nn(C)c2nc(N3CCN(Cc4ccco4)CC3)sc12 96162146 AUVCFHZZLBTFNJ-UHFFFAOYSA-N 317.418 2.253 0 50 DEAA Cc1cc(C(N)=O)c(C[C@@H]2CC(=O)N(c3ccccc3)C2)nc1C 240971684 UBBGLQLDCZQUEN-CQSZACIVSA-N 323.396 2.393 0 50 DEAA CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN1Cc1ccccc1 299159709 QGLBETWSPURTIF-QGZVFWFLSA-N 312.417 2.043 0 50 DEAA COc1ccc2oc(CNC(=O)N(C)C[C@@H]3CCCO3)nc2c1 534580963 RHEDXAFBBOEXNC-LBPRGKRZSA-N 319.361 2.157 0 50 DEAA CCNC(=O)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 263617557 OJLCWKVMSTUUNE-UHFFFAOYSA-N 324.380 2.358 0 50 DEAA Cc1nnc2ncc(-c3ccc([C@@H](C)N4CCOCC4)cc3)cn12 534591496 ABUMCVURRQCIQZ-CYBMUJFWSA-N 323.400 2.493 0 50 DEAA O=C(c1ccco1)N1CCCN(C(=O)[C@H]2CC=CCC2)CC1 363192209 HVHSMRXSMFCEAP-AWEZNQCLSA-N 302.374 2.310 0 50 DEAA O=C(c1cnccn1)N1CCC2(CC1)OCCc1ccsc12 542773582 WFNHUZXDXPFMEO-UHFFFAOYSA-N 315.398 2.242 0 50 DEAA O=C(c1cccc2c1COC2)N1CCO[C@@H](c2cccnc2)C1 1940195133 MRGAZWWUPCGDDX-QGZVFWFLSA-N 310.353 2.326 0 50 DEAA Fc1cc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)cc(F)c1F 299799399 RMDIKCMDGPHKHE-UONOGXRCSA-N 324.306 2.041 0 50 DEAA COC(=O)CCN(Cc1ccccc1)Cn1nnc2ccccc21 390822873 MBWMEKKNZODUCZ-UHFFFAOYSA-N 324.384 2.454 0 50 DEAA COc1ccc(NC(=O)CCc2c(C)noc2C)c2nonc12 824645579 YEXKHUPNPZGGSR-UHFFFAOYSA-N 316.317 2.408 0 50 DEAA CCn1nc(-c2cccc3c2ccn3C)nc1[C@@H]1CCC(=O)N1 823599520 BZMTZTAUTPVCSN-ZDUSSCGKSA-N 309.373 2.408 0 50 DEAA CCn1ncnc1-c1ccc(C(=O)N2CCOCC[C@@H]2C)cc1 867221925 JMIUZOGFLHKIQR-ZDUSSCGKSA-N 314.389 2.216 0 50 DEAA Cc1cc(F)c2ncc(C(=O)N(C)[C@H]3CCN(C)C3)cc2c1 1875294710 UPBHVUIFGSZWFY-AWEZNQCLSA-N 301.365 2.458 0 50 DEAA C[C@H](NCc1c(F)cccc1-n1cccn1)C1(O)CCOCC1 1875284768 LRYBBQBJCQBORW-ZDUSSCGKSA-N 319.380 2.031 0 50 DEAA CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cc(C(=O)O)nn1C 630292068 VPBAYOXKZPXNFQ-NEPJUHHUSA-N 307.394 2.453 0 50 DEAA CCc1c[nH]cc1C(=O)N1C[C@@H](C)[C@@H](n2cc(C3CC3)nn2)C1 1875323892 WEADMJJPTLEZHN-BZNIZROVSA-N 313.405 2.379 0 50 DEAA C=CC(=O)N(C)CC(=O)N=[S@](=O)(CC)c1ccc(C)cc1 1875379953 AKOAQFBJPWKQAJ-NRFANRHFSA-N 308.403 2.013 0 50 DEAA Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@]2(C)CCCO2)cc1 185679438 URPFLDZFPZELKB-HOCLYGCPSA-N 311.447 2.316 0 50 DEAA Cc1ccoc1C(=O)NCC1CCN(C[C@H]2CCOC2)CC1 952988954 ASMGRFKRRRDWLQ-OAHLLOKOSA-N 306.406 2.066 0 50 DEAA CNC(=O)c1ccc(NC(=O)Cc2csc(C)n2)c(C)c1 952981106 GNSIFQLPMSNTQX-UHFFFAOYSA-N 303.387 2.301 0 50 DEAA COCCN1CCC(CN(C)C(=O)c2cc(C)nc(C)c2)CC1 952968388 LLPUMBGGFDYZNB-UHFFFAOYSA-N 319.449 2.129 0 50 DEAA CCS(=O)(=O)N1CCC([C@H](C)N(C)c2nccs2)CC1 893881447 BMDGAEQLTBUBMD-NSHDSACASA-N 317.480 2.030 0 50 DEAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)C1=C2CCN=C2NC=C1 1775560878 WGSWATBTFWZDIJ-LLVKDONJSA-N 313.323 2.392 0 50 DEAA Cc1cc(CNc2cccc(CN3CCNC(=O)C3)c2)cc(C)n1 1364606684 FTKDTRWJKLCVJT-UHFFFAOYSA-N 324.428 2.242 0 50 DEAA CCOC(=O)C1C[C@H]2CC(=O)C[C@@H](C1)N2C(=O)OC(C)(C)C 95743443 KHUPXDHFHJDBPZ-YOGCLGLASA-N 311.378 2.297 0 50 DEAA in-vitro Cc1ccc(S(=O)(=O)n2ccc(Br)n2)cc1 96024125 YCPRATGWCKDEOK-UHFFFAOYSA-N 301.165 2.191 0 50 DEAA in-vitro CC(C)[C@@H]1CN(C(=O)c2cccnc2-n2ccnc2)CCS1 170078694 MJSUCUJWIROTBM-AWEZNQCLSA-N 316.430 2.481 0 50 DEAA O=C([C@@H]1COCCO1)N1CCc2c(Cl)cc(Cl)cc2C1 170671072 LUNUKCPBDDYJBI-ZDUSSCGKSA-N 316.184 2.294 0 50 DEAA CCCOc1ccc(CN2CCO[C@@]3(CCOC3)C2)cc1OC 187539957 UONANWUHUIFSNS-SFHVURJKSA-N 321.417 2.475 0 50 DEAA CNc1nc(C)cc(C(=O)Nc2nnc(C(C)(C)C)s2)n1 280860652 WZCJFUPYPVHKOF-UHFFFAOYSA-N 306.395 2.228 0 50 DEAA CC[C@]1(C)CN(C(=O)NC[C@H]2CCN(CC(C)C)C2)CCO1 188200126 FTECSKUKYKYTOX-NVXWUHKLSA-N 311.470 2.175 0 50 DEAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2ncccc2Cl)CC1 190667907 IWUNVKCTWFAROR-STQMWFEESA-N 323.824 2.199 0 50 DEAA COC[C@@H]1C[C@@H](O)CN1C(=O)C[C@H](C)Cc1cccc(F)c1 585090570 OQLDHHMVMOECSE-UHOFOFEASA-N 309.381 2.003 0 50 DEAA O=C(NCCc1ccco1)C1CCN(Cc2ccncc2)CC1 585120779 KVODDZRDISWDNA-UHFFFAOYSA-N 313.401 2.246 0 50 DEAA C[C@@H](Cn1cncn1)NCC[C@@H](C)N(C)Cc1ccccc1 657898981 HPBPIFAXHCJWLB-JKSUJKDBSA-N 301.438 2.167 0 50 DEAA Cc1ccc(C(=O)NC2CC3(C2)C[C@@H]3N)cc1-c1cnn(C)c1 1615546051 LLIQSYGDTPPZLK-HQVVEAJESA-N 310.401 2.005 0 50 DEAA Cc1cccnc1C(C)(C)CNC(=O)N1C[C@@H](N)C2(CCC2)C1 1615589337 OHBBFTRYSTVPGW-CQSZACIVSA-N 316.449 2.190 0 50 DEAA N[C@@H]1C[C@H](NC(=O)Cc2cccc(C(F)(F)F)n2)C12CCC2 1615555454 TYSQCGFQSROBFZ-PWSUYJOCSA-N 313.323 2.029 0 50 DEAA O=C(CCC1CCCCC1)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1616070977 KYHFLLMENMIBST-RDJZCZTQSA-N 317.433 2.199 0 50 DEAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)CCCc1ccc(F)cc1 1772704858 IGHPVOJVNOKRBX-CZUORRHYSA-N 318.392 2.370 0 50 DEAA CC(C)c1cc(C(=O)N2CCCN([C@H]3CCSC3)CC2)on1 1775983733 SIKDPJYOPKAWCT-ZDUSSCGKSA-N 323.462 2.451 0 50 DEAA COC(=O)[C@@H]1C[C@@H](NC(C)=O)CN1Cc1ccc(C(C)C)cc1 14980374 SVYPTHWREDDOPS-SJORKVTESA-N 318.417 2.062 0 50 DEAA O=C(O)[C@]12COCC[C@H]1CN(Cc1cccc3[nH]ccc13)C2 1857668919 RWUKUVHZFYASSC-SUMWQHHRSA-N 300.358 2.091 0 50 DEAA O=C(CCCN1C[C@@H]2CCOC[C@]2(CO)C1)c1ccc(F)cc1 1857669008 SBQYXOYPGDVZID-MAUKXSAKSA-N 321.392 2.119 0 50 DEAA Cc1nc([C@H]2CCn3ncnc3C2)n(-c2ccc3c(c2)CCC3)n1 1857672765 HRFDXQARUCTMFV-HNNXBMFYSA-N 320.400 2.386 0 50 DEAA COc1cnc(C)cc1C(=O)NCCCNc1cccnc1 1857674811 ZAPOKPQXZJGFQX-UHFFFAOYSA-N 300.362 2.026 0 50 DEAA N=c1cc(-c2nccn2CCCc2nnc3ccccn23)cc[nH]1 1857678372 FCYBAYMGNVOAFA-UHFFFAOYSA-N 319.372 2.033 0 50 DEAA CC(C)[C@@H](C(N)=O)n1ccnc1-c1cc2ccccc2n(C)c1=O 1857706855 TVJXHJYYQQWFRI-HNNXBMFYSA-N 324.384 2.084 0 50 DEAA COC[C@H]1CN(c2cc(-c3ccccc3)nc3ccnn23)CCO1 408523439 JZEMRINMNOKOSZ-OAHLLOKOSA-N 324.384 2.248 0 50 DEAA CCn1nc(C)c(NC(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1C 121067054 YFRUHEFJRGQIDV-GDBMZVCRSA-N 314.389 2.300 0 50 DEAA CCn1ccnc1CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328629648 ILGVTCAJMTUXFG-WMZOPIPTSA-N 313.449 2.423 0 50 DEAA CCOc1ccccc1C(=O)N1CC[C@H](c2nc(C)no2)C1 332155202 JARKXWOHVBAGQA-LBPRGKRZSA-N 301.346 2.406 0 50 DEAA Cc1cccc(C(=O)NC2CCN(c3nccn3C)CC2)c1F 332280582 HHMGGWLYSCEVRE-UHFFFAOYSA-N 316.380 2.266 0 50 DEAA Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N(C)CCN(C)C 135943281 VUTRUNAWGYHKGI-GFCCVEGCSA-N 309.458 2.211 0 50 DEAA CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCC(C)C)n1C 364531194 PMOLYBQOFBAWDG-OAHLLOKOSA-N 305.422 2.484 0 50 DEAA Cc1cn2c(CN[C@H]3CCO[C@]4(CCOC4)C3)c(C)nc2s1 373162485 BYGDGIWFVMLQBL-XJKSGUPXSA-N 321.446 2.440 0 50 DEAA C[C@H]1[C@H](C(=O)O)CCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 263049276 NUEYXKPKRLXHTB-JOYOIKCWSA-N 317.320 2.151 0 50 DEAA COc1cc(C)nc(N2CCN([C@H](C)c3cccnc3)CC2)n1 591887374 NWLORCFOZKYIKQ-CQSZACIVSA-N 313.405 2.072 0 50 DEAA Cc1cccnc1C(=O)NC1CCN(C(=O)c2ccccc2)CC1 267322261 DEHWSRSFTITXCE-UHFFFAOYSA-N 323.396 2.425 0 50 DEAA COCCN1[C@H]2CC[C@H]1CC(NC[C@@H](O)c1ccsc1)C2 820811971 ZKUGLDYGBHSREI-HRCADAONSA-N 310.463 2.013 0 50 DEAA CC(C)Oc1ccc(F)cc1S(=O)(=O)Nc1ccon1 903615542 BWYJIVAORYGLOX-UHFFFAOYSA-N 300.311 2.402 0 50 DEAA COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1OC 615897 GVOQVIUIGUCBME-CHWSQXEVSA-N 321.373 2.211 0 50 DEAA N[C@@]12CCOC[C@@H]1CN(C(=O)c1cccc(-c3ccoc3)c1)C2 2325809103 GKWHVOMJHGRYJJ-FUHWJXTLSA-N 312.369 2.136 0 50 DEAA NCc1ccoc1C(=O)Nc1cnn(-c2ccc(F)cc2)c1 2325855993 YAMUTORLYDPIEM-UHFFFAOYSA-N 300.293 2.315 0 50 DEAA CCc1nccn1S(=O)(=O)c1cc(Cl)ccc1OC 180397 GJWBPYTXNNHBGL-UHFFFAOYSA-N 300.767 2.345 0 50 DEAA CCOC(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1 258647 NIINABMFAZOFFN-UHFFFAOYSA-N 321.373 2.119 0 50 DEAA CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 376438 ZTJICBFQPXSEPM-UHFFFAOYSA-N 324.446 2.064 0 50 DEAA COc1cc(CO)ccc1OCC(=O)N1CCc2ccccc21 2241453 OBPOZRICFAECJI-UHFFFAOYSA-N 313.353 2.156 0 50 DEAA CC1=C(C)C[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)[C@H](C(=O)O)C1 2958472 GCDJCSFKJZMGGT-ZIAGYGMSSA-N 316.357 2.171 0 50 DEAA NC(=O)COc1ccc(Cl)cc1CNCc1ccccc1 6743445 ZWZSPCZJQBZNRJ-UHFFFAOYSA-N 304.777 2.494 0 50 DEAA Cc1cc(C)c2nc(Nc3nc(O)c(C)c(=O)[nH]3)nc(C)c2c1 8694829 MCISVVGDYXVUIS-UHFFFAOYSA-N 311.345 2.396 0 50 DEAA CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 11762834 MWZVINQKYOYWAB-UHFFFAOYSA-N 316.401 2.216 0 50 DEAA O=C(NCc1ccc(Cl)cc1)[C@H]1CCC(=O)N(C2CC2)C1 11816353 YYVFECGNFUZLSL-LBPRGKRZSA-N 306.793 2.357 0 50 DEAA COCCN1CCN(C/C(C)=C/c2ccccc2)CCC1=O 12053254 YFJIHUSRWTYELD-JQIJEIRASA-N 302.418 2.271 0 50 DEAA CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C)C2 14740732 BAEOYUAPYXUAHW-UHFFFAOYSA-N 304.438 2.199 0 50 DEAA O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCOCC1 16577460 BJYZDPYXLGLVBN-UHFFFAOYSA-N 310.202 2.155 0 50 DEAA CCCn1cnc(NC(=O)NC(C)(C)CN2CCCCCC2)n1 20598383 FALSRCMWLXIMJJ-UHFFFAOYSA-N 322.457 2.464 0 50 DEAA COc1cccc2ncn(Cc3nc4cc(F)ccc4[nH]3)c(=O)c12 32590464 QXZWVWSCBWWJQQ-UHFFFAOYSA-N 324.315 2.469 0 50 DEAA CCN1CCC[C@@](C)(C(=O)NCCNc2cc(C)ccn2)C1 65507803 MCHXIKSOXUOIBZ-QGZVFWFLSA-N 304.438 2.040 0 50 DEAA O=C(CCN1CCO[C@H](c2ccc(F)cc2)C1)N1CCCC1 71753429 VJGYUYPNNPIYEH-INIZCTEOSA-N 306.381 2.212 0 50 DEAA COc1ccc(CNC(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1 71762192 JOBFCNAMWSUXBQ-GFCCVEGCSA-N 318.295 2.168 0 50 DEAA Cc1cnc(CNC(=O)c2cccc(CCC(C)(C)O)c2)cn1 72411336 KYLLCDBNLYZFMY-UHFFFAOYSA-N 313.401 2.419 0 50 DEAA Cc1oc(-c2ccccc2F)nc1CN1C(=O)CCNC1=O 95503178 BJSXUINMCMJPAR-UHFFFAOYSA-N 303.293 2.231 0 50 DEAA O=C(NCc1ccc2nonc2c1)[C@H]1COc2ccccc2C1 95518630 OKHCJUZAYWYIPN-CYBMUJFWSA-N 309.325 2.090 0 50 DEAA CN(C[C@@H]1COCCO1)C(=O)Nc1cccc(Cl)c1F 95519940 WUSDKBPUIKWOHB-SECBINFHSA-N 302.733 2.358 0 50 DEAA COc1cc(CN2CCN(CC(C)C)[C@H](CCO)C2)ccc1F 104353101 IZIVNMJRFWDIRD-MRXNPFEDSA-N 324.440 2.359 0 50 DEAA Cn1cc(-c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cn1 128117362 UJVBWOMUPPRSJZ-UHFFFAOYSA-N 300.343 2.015 0 50 DEAA C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)c1ccc(-c2cccnc2)cc1 152113915 KJXOKTNBNBBOID-XJKSGUPXSA-N 323.396 2.452 0 50 DEAA Cc1ccc(NC(=O)C2(C(=O)Nc3ccc(C)nc3)CC2)cn1 170593632 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0 50 DEAA S=C(NC1CC1)N1CCN(Cc2ccccc2Cl)CC1 13767606 JPHZSVMGAGJDAU-UHFFFAOYSA-N 309.866 2.495 0 50 DEAA COc1ccc(CCN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 284620334 AXSXFFMYLOIFTQ-KSZLIROESA-N 305.418 2.100 0 50 DEAA O=C1CCc2cc(C(=O)N3CC[C@H](OC(F)F)C3)ccc2N1 606441437 IUKHJGTWNKXPTN-NSHDSACASA-N 310.300 2.025 0 50 DEAA COc1cccc(SCC(=O)NCc2n[nH]c3c2CCC3)c1 223607191 ZMMJJIBLDHBRSO-UHFFFAOYSA-N 317.414 2.316 0 50 DEAA O=C(O)[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c(F)c1 238081703 ANRQIUNXFQTFKA-CQSZACIVSA-N 306.337 2.115 0 50 DEAA OCc1ccc(-c2cn([C@H]3CCN(Cc4ccccc4)C3)nn2)o1 91770254 DIMIKEYAUGCKQZ-HNNXBMFYSA-N 324.384 2.477 0 50 DEAA COCCCN1CCN(C(=O)Nc2cc(C)ccc2F)CC1 95501302 LCKPHICOQNTCNW-UHFFFAOYSA-N 309.385 2.320 0 50 DEAA CCC[C@H]1CN(Cc2ncccc2C)C[C@@H]1NC(=O)CSC 91505051 BAAZIGWQRUKXPB-HOCLYGCPSA-N 321.490 2.470 0 50 DEAA CN1CCC[C@]2(CCN(C(=O)c3csc(NC4CC4)n3)C2)C1 294369574 ZIAFBPDXXHCAMN-INIZCTEOSA-N 320.462 2.275 0 50 DEAA CCc1cc(C(=O)N2CCC[C@]3(CCCO3)CC2)cc(=O)[nH]1 97805501 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CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ncccc1O)C2 91364545 VMJVLKXEIYJGHC-HUUCEWRRSA-N 315.417 2.290 0 50 DEAA O=C(NCc1ccc(Cl)cn1)N[C@@H]1c2ccccc2C[C@@H]1O 180845895 MVVSIYODHKWKIH-LSDHHAIUSA-N 317.776 2.193 0 50 DEAA Cc1nc(-c2cccnc2)ncc1-c1nc([C@H]2CCOC2)no1 96160942 SSMXUFSSVFSAII-LBPRGKRZSA-N 309.329 2.401 0 50 DEAA CC[C@H]1CN(C(=O)Cn2cc(Cl)c(C)n2)CCN1C(C)C 95357933 JTOIHBDBWBUSAA-ZDUSSCGKSA-N 312.845 2.176 0 50 DEAA CC(C)COc1ncccc1C(=O)Nc1nnc2n1CCCC2 162774339 SWRUMTJXQDICQK-UHFFFAOYSA-N 315.377 2.297 0 50 DEAA Cc1c(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cnn1C(C)(C)C 181364261 HMLSQPVZGPGCNV-CYBMUJFWSA-N 316.409 2.432 0 50 DEAA C[C@H](c1cnn(C)c1)N(C)C(=O)c1cc(F)cc2[nH]cnc12 181378371 PMJZSRGTDZULJY-SECBINFHSA-N 301.325 2.269 0 50 DEAA CC(C)c1noc([C@H]2CCCCN2CCN2CCCC2=O)n1 244601822 DSFQKCPFCFOXMK-CYBMUJFWSA-N 306.410 2.342 0 50 DEAA Cc1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)c1Cl 299747823 FEEHEASFNLQPJT-VXGBXAGGSA-N 316.854 2.396 0 50 DEAA C[C@@H]1CCCCN1C(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 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CCOCc1nc(-c2ccc(OC)c(Br)n2)no1 952993146 NIOIUMFNWRBUTK-UHFFFAOYSA-N 314.139 2.439 0 50 DEAA C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N[C@H]1CCNc2ncccc21 1875292310 DCIYHFFQTGYFBQ-RIEGTJTDSA-N 311.389 2.144 0 50 DEAA COC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc2nc(S)oc2c1 1875390222 VDYFQSXXTOIFAB-VHSXEESVSA-N 320.370 2.188 0 50 DEAA CC[C@@H](NCc1cn(CCO)nc1C)c1nc(C)c(C)s1 952964915 OSVMFKUJUXUXTP-CQSZACIVSA-N 308.451 2.498 0 50 DEAA CO[C@H]1C[C@H](NC(=O)N[C@H](C)c2cc(F)ccc2N(C)C)C1 1775993207 CSEIEJFWDLCNGJ-RAIGVLPGSA-N 309.385 2.429 0 50 DEAA COCC1(S(=O)(=O)N2CCC[C@H]2c2cccnc2)CCC1 1462756474 XXCUUHUNDSFXJK-AWEZNQCLSA-N 310.419 2.117 0 50 DEAA CC[C@H]1CN(C(=O)c2cc(N3CCCCC3)ncn2)CCCO1 408524752 YUROJICELWQOEL-AWEZNQCLSA-N 318.421 2.108 0 50 DEAA CCn1c(S)nnc1CCNC(=O)N[C@H]1CCCC[C@H]1C 408523250 IEGBPVIMFYTOFW-MNOVXSKESA-N 311.455 2.007 0 50 DEAA COc1ccc([C@H](C)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1F 222130991 YQZBMXYABFSFJB-GHJWDPDVSA-N 324.396 2.121 0 50 DEAA CC[C@H]1C[C@H](C(=O)Nc2cncnc2N2CCCC2)CCO1 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CC(C)Cn1ccnc1-c1ccc2n(c1=O)C[C@@H]1CNC[C@H]2C1 2356153244 YDYGBOQCMZUTQF-UONOGXRCSA-N 312.417 2.075 0 50 DEAA CN1CCC[C@@]2(CCCN2CCOc2ccc(F)cc2)C1=O 2356161281 OBMFRTJBMOMVHH-QGZVFWFLSA-N 306.381 2.291 0 50 DEAA Cc1cc(OC(F)F)c(C(=O)N[C@H]2CCC(=O)N(C)C2)s1 133738112 IRJVQVCCTFKRRE-QMMMGPOBSA-N 318.345 2.009 0 50 DEAA COc1ccc([C@@H]2C[C@@H](c3cccnc3)Nc3nnnn32)cc1 6120923 GNCIGLVIKZDJMH-GJZGRUSLSA-N 308.345 2.223 0 50 DEAA CCSc1nc(CC(=O)N2CCC[C@H](C(=O)O)C2)cs1 55342773 GNKWAUWXFYGPEE-VIFPVBQESA-N 314.432 2.121 0 50 DEAA Cc1nnc(NC(=O)N2CCCN(C3CCCC3)CC2)s1 55196948 XDZYQININMOAJD-UHFFFAOYSA-N 309.439 2.329 0 50 DEAA Cn1cncc1CN[C@H]1CCN(c2ccccc2OC(F)F)C1 116923543 XBWWYIJYERBOTG-LBPRGKRZSA-N 322.359 2.390 0 50 DEAA CC[C@@H]1CCCN(CC(=O)NC2CCN(C(C)C)CC2)CC1 117342895 LIDORROVBSYPOL-MRXNPFEDSA-N 309.498 2.488 0 50 DEAA CS(=O)(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 10112420 PWNJGPBBSYXYIC-UHFFFAOYSA-N 316.382 2.261 0 50 DEAA COCC(=O)Nc1ccccc1-c1nc(-c2ccccn2)no1 22464213 VHHCRQDCKKNVQK-UHFFFAOYSA-N 310.313 2.384 0 50 DEAA C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccc(F)cc1 20400156 VSXUBCXKMPLFQE-JTQLQIEISA-N 306.362 2.322 0 50 DEAA COc1ccc(Cc2noc(C(=O)Nc3ccccc3)n2)cn1 350645346 RBQIQGJGZJKYJE-UHFFFAOYSA-N 310.313 2.316 0 50 DEAA Cc1ccccc1N1CCN(C(=O)CCN2CCCO2)[C@@H](C)C1 67742786 CNBSDFCIGKQJRE-INIZCTEOSA-N 317.433 2.060 0 50 DEAA COc1c(F)cccc1C(=O)NCc1noc(-c2ccco2)n1 67726514 PTKJBUNAPNUXIQ-UHFFFAOYSA-N 317.276 2.407 0 50 DEAA Cc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)nn1 65363935 QPZRHHBYPRZRIN-UHFFFAOYSA-N 311.389 2.448 0 50 DEAA C=CC(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 328594552 TUHBZFLRMGHCDB-UHFFFAOYSA-N 317.433 2.316 0 50 DEAA CCO[C@@H](C)c1noc(CN2CCC[C@H]2c2noc(C)n2)n1 257365080 NPVDBMVYLJOKEO-ONGXEEELSA-N 307.354 2.196 0 50 DEAA C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 329125237 XXVXMCMZMVVJTF-WCFLWFBJSA-N 305.378 2.078 0 50 DEAA O=C(CN1CCOCC1)Nc1ccc2ccc(Cl)cc2n1 282727114 HSQDLTNCLGYMPY-UHFFFAOYSA-N 305.765 2.159 0 50 DEAA Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(C(=O)CC(=N)O)C1 330537032 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Cc1ccc2nc(C)c(C)c(C(=O)N[C@@H]3CCOC[C@H]3O)c2c1 219696729 RIIUDBUCDYVLMT-HZPDHXFCSA-N 314.385 2.040 0 50 DEAA O=C(C[C@H]1CSCCN1)Nc1nc(-c2ccccn2)cs1 238098342 NPZXQHUIFZNCKI-JTQLQIEISA-N 320.443 2.239 0 50 DEAA Cc1cc([C@H](C)C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c(C)o1 239807542 CSVXDDIUCOXBNB-RRQGHBQHSA-N 320.433 2.058 0 50 DEAA Cc1nc(NCCCc2csc(N)n2)cc(C2CC(O)C2)n1 223605148 ILJFGLDBSXCMDG-UHFFFAOYSA-N 319.434 2.107 0 50 DEAA O=C(Cn1ccnn1)N1CCC(Oc2cccc(Cl)c2)CC1 426403494 MAMNEFQWBGAXHP-UHFFFAOYSA-N 320.780 2.002 0 50 DEAA C[C@H](c1ccncn1)N(C)C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 91997362 RTRCRUSOKDBUKA-LLVKDONJSA-N 323.356 2.406 0 50 DEAA CC(C)c1noc(CN2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)n1 91380760 HNEXCVMUYLOTNA-LSDHHAIUSA-N 304.438 2.499 0 50 DEAA Cc1ccccc1[C@@H](C(=O)NCc1ccc(CO)cc1)N(C)C 95508937 WYHJHEDWFBXWOZ-SFHVURJKSA-N 312.413 2.406 0 50 DEAA CCCn1cc(C(=O)N[C@H](CC(=O)O)c2ccco2)c(C)n1 95518377 CZSNCURYMOGSHM-GFCCVEGCSA-N 305.334 2.140 0 50 DEAA O=C1C[C@]2(CCN(CCCn3cccn3)C2)Oc2ccccc21 244874640 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Cc1cc2c(cc1C)O[C@@H](C(=O)NC1CCC(C(=O)O)CC1)C2 268932770 KXCOZSUXQYPNAP-LDZOIKDWSA-N 317.385 2.367 0 50 DEAA CN(C)Cc1ccc(-c2noc([C@@H]3CCCC(=O)N3C)n2)cc1 952994663 SRGFIZHTKGNMKJ-AWEZNQCLSA-N 314.389 2.482 0 50 DEAA CC(C)(C)[C@H](CO)CNC(=O)c1ccc(C(=O)O)cc1Cl 1875277680 YDXJVHKYTTVGRB-JTQLQIEISA-N 313.781 2.423 0 50 DEAA COc1ccc(F)c(CN2[C@H](C(=O)O)C[C@@H]3O[C@H](C)C[C@@H]32)c1 1875291352 WIHUWDVVFNYONR-GBALPHGKSA-N 309.337 2.039 0 50 DEAA C[C@@H]1CC[C@H](CCNC(=O)C(=O)NC2CC3(CO[C@H](C)C3)C2)C1 1875330349 OJWOGWIUXVYPEK-AXDVPUBFSA-N 322.449 2.003 0 50 DEAA COC(=O)/C=C/CCNC(=O)[C@H](C)Oc1ccccc1Cl 1875311938 PIADKMUSLFVEJW-NKLKJHRZSA-N 311.765 2.343 0 50 DEAA Oc1n[nH]c([C@H]2[C@H](C3CC3)CCN2c2cnc3ccccc3n2)n1 1875399609 FFSZSSQRHFZWFF-XHDPSFHLSA-N 322.372 2.431 0 50 DEAA C=CC(=O)N1CCC(C(=O)N2CCCc3cccc(O)c32)CC1 1875365079 PXXCKVWZZWCZJO-UHFFFAOYSA-N 314.385 2.096 0 50 DEAA Cc1ccc(N2CCC(CNC(=O)c3ccoc3)CC2)nn1 952988758 UJXAZPQVPLOTRI-UHFFFAOYSA-N 300.362 2.024 0 50 DEAA O=C(CCn1ccc2ccc(F)cc21)N1CCc2nc[nH]c2C1 888104765 LUVIWLCHSQNPJK-UHFFFAOYSA-N 312.348 2.479 0 50 DEAA Cc1nn(C)cc1C(=O)NC[C@H]1CCCN(CCCCCF)C1 952984382 UIEPPQGBRSFLTE-OAHLLOKOSA-N 324.444 2.310 0 50 DEAA CCc1cc(N2CCC[C@@H](Nc3nccn4ccnc34)C2)ncn1 892499429 RGYGCKXQAMAILT-CQSZACIVSA-N 323.404 2.163 0 50 DEAA COc1cc(CN2C[C@H](C(C)C)[C@@H](NC(C)=O)C2)ccc1F 1565507384 SJPHPGZWQYCGPZ-ZBFHGGJFSA-N 308.397 2.427 0 50 DEAA O=C(NC1CCCCC1)N1C[C@@H](CO)C[C@H](CN2CCCC2)C1 91595434 KSSSPHBNLLRBSI-CVEARBPZSA-N 323.481 2.055 0 50 DEAA C[C@H](C[S@@](C)=O)NC(=O)N(C)CC1(c2ccccc2)CC1 186636930 FGOLTKMIRVYCGR-LRTDBIEQSA-N 308.447 2.127 0 50 DEAA O=S(=O)(c1ccco1)N1CCO[C@@]2(CCc3ccccc32)C1 188785674 JBULXZRGZZFSEH-INIZCTEOSA-N 319.382 2.142 0 50 DEAA C[C@@H]1C[C@@H](C(=O)NCc2nnc(O)n2C2CC2)CC(C)(C)C1 585129982 DGTSUEOZSVZMJA-GHMZBOCLSA-N 306.410 2.397 0 50 DEAA CCc1ncnc(N2CCC[C@@H]2c2ccc(N(C)C)nn2)c1F 643686984 VMVLLOSUOSGNRV-CYBMUJFWSA-N 316.384 2.376 0 50 DEAA COC[C@H]1CCCCN(C(=O)NCc2c(C3CC3)cnn2C)C1 666578439 JPLLLJHAGVDNSQ-ZDUSSCGKSA-N 320.437 2.256 0 50 DEAA CN(C)CCN(Cc1cnc[nH]1)C(=O)[C@@H]1CCc2ccccc21 1704310785 SLLRZZLXJRINCD-QGZVFWFLSA-N 312.417 2.030 0 50 DEAA O[C@@H]1CN(CCOc2ccc(F)cc2)C[C@H]1Cc1ccncc1 1704305535 XNBYMUKEDPLJJW-CRAIPNDOSA-N 316.376 2.135 0 50 DEAA N[C@@H]1CC12CCC(NC(=O)c1cccc3c1CCOC3)CC2 1615546234 NDLUKSVUJZSNPP-CRPOECCBSA-N 300.402 2.149 0 50 DEAA Cc1cc(C(=O)N2C[C@H](N)C3(CCC3)C2)oc1Br 1615553490 HGVIDGYFGAICDT-JTQLQIEISA-N 313.195 2.304 0 50 DEAA Cc1nc([C@H](c2ccccc2F)N(C)C)n(-c2cnn(C)c2)n1 1772807334 MXWGPLWWIURSBR-HNNXBMFYSA-N 314.368 2.099 0 50 DEAA COCC(=O)N1CC[C@]2(CCCN(Cc3cccc(C)c3)C2)C1 11947429 RUVHKDFSKVYCNK-IBGZPJMESA-N 316.445 2.456 0 50 DEAA CCN(Cc1noc(C2CC2)n1)C(=O)c1ncoc1C1CC1 19770498 OMQZRZQUSZFEMT-UHFFFAOYSA-N 302.334 2.475 0 50 DEAA Cc1noc([C@H](NC(=O)c2oc(C)cc2C)C2CCOCC2)n1 328616007 ZLZKXFJLVDEYFA-CYBMUJFWSA-N 319.361 2.486 0 50 DEAA C[C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)CCN(C2CC2)C1 333051583 GTJLKYVVDWNLMW-LBPRGKRZSA-N 304.438 2.264 0 50 DEAA Nc1ncccc1CN1CCN(c2cc(F)ccc2F)CC1 240668192 HMVIUMRIZSKSOX-UHFFFAOYSA-N 304.344 2.264 0 50 DEAA CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C(=O)O)cc1 350101521 XCRDASHZJYQVAE-UHFFFAOYSA-N 313.309 2.386 0 50 DEAA COC(=O)C1(CNC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 582733619 JEMRSUGMGKKQQP-ZDUSSCGKSA-N 324.808 2.012 0 50 DEAA Cc1c(Cl)c(C(=O)N2CCCC[C@H]2CCC(=O)O)nn1C 263160073 IHCNRQZYJJSRPI-JTQLQIEISA-N 313.785 2.241 0 50 DEAA CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 264183112 QBOBKRRKNFVYJM-QZTJIDSGSA-N 315.461 2.204 0 50 DEAA Cc1cc(N2CC[C@@H](SCCC[C@@H]3CCOC3)C2=O)n(C)n1 592461245 XJASKKMLSDZOAR-ZIAGYGMSSA-N 323.462 2.384 0 50 DEAA O=C(O)c1ccc(CN2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c2ncccc12 903906860 GKLUNNUDUKKNDV-QBPKDAKJSA-N 322.364 2.318 0 50 DEAA O=C(c1ccccc1N1CCCC1=O)N1Cc2cccnc2C1 1649842727 MISBQDWZROTXHH-UHFFFAOYSA-N 307.353 2.364 0 50 DEAA CCN1CCCN(C(=O)c2cccc(NC(C)=O)c2)[C@H](C)C1 910295869 OZLLRYSQSGRKHP-CYBMUJFWSA-N 303.406 2.201 0 50 DEAA Cc1noc(Cl)c1CC(=O)N1CCC(c2ccn(C)n2)CC1 928211702 ORQSOOJZMOKMST-UHFFFAOYSA-N 322.796 2.319 0 50 DEAA O=C(NC[C@H](O)Cc1ccccc1)c1cccc2c1CCOC2 934443289 LBGZSLNXVFJFGR-MRXNPFEDSA-N 311.381 2.093 0 50 DEAA Cc1noc(C)c1CC(=O)N1CC2(COc3ccccc3C2)C1 2100483679 JSXIAVUTBWEDHF-UHFFFAOYSA-N 312.369 2.298 0 50 DEAA Cn1ncc2ncc(C(=O)N3CCC[C@H]3c3cccnc3)cc21 2100545539 VKJXJBKJIZQMHB-HNNXBMFYSA-N 307.357 2.341 0 50 DEAA COc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1OC 496409 ODBKNGGBIWRFOJ-UHFFFAOYSA-N 315.325 2.363 0 50 DEAA COC(=O)c1ccc(NC(=O)c2ccc3c(c2)nnn3C)cc1 619470 NMWUMIFTCNWDBV-UHFFFAOYSA-N 310.313 2.007 0 50 DEAA Cc1cc(OCC(=O)N(C)C)c2c3c(c(=O)oc2c1)CCC3 2110588 RLCLUOIAGLRULC-UHFFFAOYSA-N 301.342 2.057 0 50 DEAA biogenic CN(C)c1ccc(-c2ccnc(NCc3cc(O)ncn3)n2)cc1 2356152064 PHQBGDCYBKTFRM-UHFFFAOYSA-N 322.372 2.317 0 50 DEAA O=C(NCCCn1ccnc1)c1ccccc1Br 2790470 OBRZWHSFTUVBGA-UHFFFAOYSA-N 308.179 2.466 0 50 DEAA COc1ccc(CN2CCC(C(=O)NC(C)C)CC2)c(OC)c1 4725473 JLHBVPCOUJRNFS-UHFFFAOYSA-N 320.433 2.440 0 50 DEAA CC(C)c1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1 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CC[C@@H]1CN(C(=O)CCC(=O)Nc2cc(C)ccc2F)CCN1 71314944 OYMUXGBGERLGFO-CYBMUJFWSA-N 321.396 2.063 0 50 DEAA COc1ccc(NC(=O)NC2CCN(C(C)C)CC2)c(C)n1 124314683 JRBLBAAUIYDANW-UHFFFAOYSA-N 306.410 2.393 0 50 DEAA C[C@@H](c1cccc(F)c1)N1CCN(CCC2OCCO2)CC1 125161641 DECZEKQKRGDDPP-AWEZNQCLSA-N 308.397 2.267 0 50 DEAA C[C@H](NC(=O)C1(C(=O)O)CC1)c1ccc(NC(=O)C2CC2)cc1 154784384 BSJVOYKZZIJNMS-JTQLQIEISA-N 316.357 2.077 0 50 DEAA NC(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 366501950 VZWYWYCLWBYCNP-CZUORRHYSA-N 316.332 2.245 0 50 DEAA C=CC(=O)NCc1ccc(C(=O)NCC2CC(F)(F)C2)cc1 490760428 SZAAXWCWQZETPH-UHFFFAOYSA-N 308.328 2.264 0 50 DEAA COc1cccc([C@H]2CCN(Cc3cncn3C)C2)c1OC 215313860 IDWUUXHVPPZTTR-ZDUSSCGKSA-N 301.390 2.427 0 50 DEAA COC(=O)c1cc(N(C)Cc2cccc3ncccc23)ncn1 77421771 BLLONVYJAXRJPG-UHFFFAOYSA-N 308.341 2.448 0 50 DEAA CC(=O)Nc1ccsc1C(=O)N(Cc1cnn(C)c1)C1CC1 71745909 XPNKYPQVJIKCCD-UHFFFAOYSA-N 318.402 2.245 0 50 DEAA c1ccc(O[C@@H]2CCN(Cc3ccc(-n4cncn4)cc3)C2)nc1 378348575 YYQHSMICXGNTDA-QGZVFWFLSA-N 321.384 2.316 0 50 DEAA C[C@H]1COC[C@@H](C)N1C[C@H](O)COCC1=CC[C@H]2C[C@H]1C2(C)C 241439873 NNAMIXNPTCTAFC-QJESEZNXSA-N 323.477 2.466 0 50 DEAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccno1 77518792 SQEXDZQWZSNLNC-UHFFFAOYSA-N 300.293 2.272 0 50 DEAA CN1C[C@H]2CN(Cc3ccnn3-c3ccc(F)cc3)C[C@H]2C1 242106311 WIPWTRJTDRNCQO-OKILXGFUSA-N 300.381 2.005 0 50 DEAA Cn1nccc1CCN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 338568892 AQTMXDRRLNEIFP-BBRMVZONSA-N 307.344 2.049 0 50 DEAA CCC[C@]1(CO)CCN(C(=O)Cc2c(OC)cccc2OC)C1 290555006 HWYHBAZJJNZSDI-SFHVURJKSA-N 321.417 2.257 0 50 DEAA Cc1ccc(C(=O)N2CCC(O)(CN3CCCC3)CC2)s1 223864466 GCRLYRBPJUFHRK-UHFFFAOYSA-N 308.447 2.119 0 50 DEAA Cc1n[nH]c(C)c1CCN(C)C(=O)N[C@H](C)Cc1cccnc1 426632858 JFKYFNMURLYULC-GFCCVEGCSA-N 315.421 2.237 0 50 DEAA C[C@H](NC1CCC2(CC1)OCCO2)[C@@H](O)Cc1ccccc1 161688849 FHNSFNVLLMCVCH-YOEHRIQHSA-N 305.418 2.254 0 50 DEAA CCN(CC)CCCNC(=O)N1CC(Oc2ccc(C)cc2)C1 426621762 QUXVFKDYIFPTLT-UHFFFAOYSA-N 319.449 2.500 0 50 DEAA Cc1cccn2c(CC(=O)N3CCCC[C@H](N(C)C)C3)cnc12 82115173 MUICKLZNLQYANK-HNNXBMFYSA-N 314.433 2.128 0 50 DEAA CN1CCCC[C@@H]1CC(=O)NCCc1nc2ccccc2o1 426628247 MFXJMRYNLXJPKA-CYBMUJFWSA-N 301.390 2.361 0 50 DEAA Cc1cc(C)c2c(NCCCn3nc(C)nc3C)ncnc2n1 95506490 QNBQJXPIQFLWFX-UHFFFAOYSA-N 311.393 2.352 0 50 DEAA C[C@@H](OCC(F)(F)F)C(=O)N1CCCC[C@H]1CCC(=O)O 237397775 DYRIGCPPASWZQI-ZJUUUORDSA-N 311.300 2.200 0 50 DEAA Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3=O)no1 295273793 JUMUWUGQEFEBBU-UHFFFAOYSA-N 306.343 2.303 0 50 DEAA Cc1nc(CCNc2cc([C@H]3C[C@@H](N)C3)ncn2)sc1C 244882784 XZAAIVJJSFZCPS-TXEJJXNPSA-N 303.435 2.409 0 50 DEAA O=C(CN(Cc1ccccn1)C1CCCCC1)N1CCOCC1 244882458 XSCQZEFJOZGDTI-UHFFFAOYSA-N 317.433 2.075 0 50 DEAA CC(C)SCC(=O)NCCc1csc(-c2cnccn2)n1 244735061 NSNIETJMGIRSRH-UHFFFAOYSA-N 322.459 2.400 0 50 DEAA COC(=O)c1ccnc(NC(=O)[C@@H](C)n2ccnc2C(C)C)c1 1940196570 SYWBIKNTOPOLPO-LLVKDONJSA-N 316.361 2.388 0 50 DEAA O=C(NC[C@H]1CCCN(Cc2ccoc2)C1)c1cncc(F)c1 826630292 GRKXJZMKICJNMF-CYBMUJFWSA-N 317.364 2.456 0 50 DEAA CCn1c(CNC(=O)N2CCCC[C@H]2CO)nc2ccccc21 584884339 RTQORBGXIJZUMB-ZDUSSCGKSA-N 316.405 2.113 0 50 DEAA O=C(NC[C@@H]1CCO[C@@H]1c1nc[nH]n1)c1ccc(F)cc1Cl 952889185 YDJSWKSVISSTNO-UFBFGSQYSA-N 324.743 2.105 0 50 DEAA COC(=O)Nc1cccc(NC(=O)N(C)C2CCN(C)CC2)c1 952883152 YHHMODFJSWSPNI-UHFFFAOYSA-N 320.393 2.423 0 50 DEAA CC(C)(C)n1cc(CNCc2cccc3nsnc23)nn1 1875275478 ZLKBLWSGDIBPPE-UHFFFAOYSA-N 302.407 2.328 0 50 DEAA CC(C)(O)CN(C(=O)Nc1cc(C(F)(F)F)ncn1)C1CC1 1875289347 KSGLDCZIUPVYGV-UHFFFAOYSA-N 318.299 2.263 0 50 DEAA C[C@H](C(=O)Nc1c[nH]nc1Br)c1cncc(F)c1 1875357237 XZRCYNWMNNEHQS-LURJTMIESA-N 313.130 2.449 0 50 DEAA C=CC(=O)N(C)c1ccc(C(=O)N[C@]2(CC)CCOC2)cc1 1875373462 BNFJVQPIXHPUEM-QGZVFWFLSA-N 302.374 2.134 0 50 DEAA CCCC1(c2noc(CN3CCCC[C@H](N)C3=O)n2)CCC1 888078240 CFMYFEYNTPLYLA-LBPRGKRZSA-N 306.410 2.131 0 50 DEAA C[C@H]1[C@H](C)CCCN1C(=O)c1ncnc(O)c1Br 1362138548 HVWAGGORVIVNGA-SFYZADRCSA-N 314.183 2.205 0 50 DEAA C[C@@H](NC(=O)c1cnc(C2CC2)o1)c1nc(C(F)(F)F)n[nH]1 1363649265 GVQNWMILCYJSGV-RXMQYKEDSA-N 315.255 2.180 0 50 DEAA CCc1nc(C)cc(N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)n1 408033608 OGCQSBQKXCCYCY-JJRVBVJISA-N 305.422 2.104 0 50 DEAA Cc1nc([C@H]2CCCCN2Cc2nncn2-c2ccccc2)n[nH]1 408473312 IHTKGFDLDHYKMG-OAHLLOKOSA-N 323.404 2.421 0 50 DEAA COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 669371701 RJGVYAHILLZQPV-NSHDSACASA-N 323.345 2.455 0 50 DEAA Cc1cccc(CN(CCC(=O)O)S(=O)(=O)c2ccco2)c1 277329439 VIWJSYPJDUHNDF-UHFFFAOYSA-N 323.370 2.254 0 50 DEAA C[C@H](CNC(=O)c1c[nH]nc1-c1ccsc1)Cn1cccn1 188308479 JQLIFXGOQQGWGF-LLVKDONJSA-N 315.402 2.401 0 50 DEAA C[C@@H](Cc1ccc(Br)cc1)N[C@@]1(CO)CCOC1 188405722 CPQFJVKAAJYDRP-SMDDNHRTSA-N 314.223 2.121 0 50 DEAA CN1CCO[C@H](C(=O)Nc2cccc3c(Cl)nccc23)C1 585087596 QODFWSPHBBYZJF-ZDUSSCGKSA-N 305.765 2.157 0 50 DEAA O=C(c1cccc(Cl)c1)N1CC[C@H](c2cc(O)nc(O)n2)C1 585130224 KRVQXBLADHZXSR-JTQLQIEISA-N 319.748 2.171 0 50 DEAA CCN1[C@@H](C)CN([C@H]2CCCN(CC(C)(C)C)C2=O)C[C@H]1C 585116030 DWLOAZAJPUMPIU-XHSDSOJGSA-N 309.498 2.438 0 50 DEAA Cc1ccnc(S(=O)(=O)NC(=O)Cc2ccc(Cl)cc2)c1 733867223 XPIAHICRSSAQIT-UHFFFAOYSA-N 324.789 2.091 0 50 DEAA O=C(c1ccnc(-c2ncc[nH]2)c1)N1CCC[C@@H]1[C@@H]1CCCO1 646191298 XVKBUBJKKQPSRF-CABCVRRESA-N 312.373 2.255 0 50 DEAA CCCc1nc(N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)no1 1506414210 DJHHKSYZSWHKGT-GFCCVEGCSA-N 306.410 2.249 0 50 DEAA O=C(N1CCCCC1)N1CCC(N=c2cc[nH]cc2F)CC1 1506396372 HKEAJJYMCGGYCH-UHFFFAOYSA-N 306.385 2.125 0 50 DEAA Cn1ccnc1CCN1CCC([C@H](O)Cc2ccccc2)CC1 1506427602 RCXOFIRGXYFDAD-GOSISDBHSA-N 313.445 2.278 0 50 DEAA CC(C)c1noc([C@@H]2CCCN(CCc3nccn3C)C2)n1 1506429388 XUNUHZSGRINUCJ-CYBMUJFWSA-N 303.410 2.349 0 50 DEAA Cc1cc(C[C@H](C)Nc2ncccc2C(=O)N2CCCC2)n[nH]1 1529192596 YGXSIWKUSDEIPG-LBPRGKRZSA-N 313.405 2.392 0 50 DEAA CC(C)(NC(=O)c1ncnc2ccsc12)[C@@H](O)C(F)(F)F 1615547513 IZZDNEBDGWRNAC-SNVBAGLBSA-N 319.308 2.123 0 50 DEAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3ccc(=O)oc3c2)C1 1615605869 NWWJQGZFUJOOTN-TXEJJXNPSA-N 321.398 2.460 0 50 DEAA O=C(O)c1cccc(Cl)c1CN1CCO[C@H]2COCC[C@H]21 1615617151 DEYOOXRUZMWXAI-KGLIPLIRSA-N 311.765 2.028 0 50 DEAA OC[C@]12CCOC[C@H]1CN(Cc1cncn1C1CCCCC1)C2 1772711204 XXSSDOJOEKDZSO-CRAIPNDOSA-N 319.449 2.219 0 50 DEAA O=C(c1cnc2c(c1)CCCC2)N1CCC[C@@H](C2(O)CC2)C1 1772819922 XOJCFWNRDTTYSB-OAHLLOKOSA-N 300.402 2.338 0 50 DEAA CCNC(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C 12029396 UROHNJNJAIQFTM-SNVBAGLBSA-N 320.418 2.340 0 50 DEAA COCC(=O)N[C@@H](C)c1cnc(N2CCCCCCC2)nc1C 12073349 POJZUQHVBOZBCR-ZDUSSCGKSA-N 320.437 2.379 0 50 DEAA CC(C)N[C@H]1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21 12570651 XVTSFFQRJSKACF-HNNXBMFYSA-N 318.465 2.449 0 50 DEAA C[C@@H]1CCCN(C(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)C1 13667798 FTEISQTUVOOJBT-ZIAGYGMSSA-N 324.446 2.100 0 50 DEAA c1cnc(N2CCN(CCCc3nc4ccccc4[nH]3)CC2)nc1 19774024 NWOIAHOSWCFUCI-UHFFFAOYSA-N 322.416 2.108 0 50 DEAA CCc1nc[nH]c(=NC[C@H]2CCO[C@@H]2c2cnn(CC)c2)c1F 1857532936 OCUJHQRVMLBUDN-ABAIWWIYSA-N 319.384 2.006 0 50 DEAA O=C(NCCCn1ncc2ccccc21)[C@H]1CCn2nccc2C1 1857738671 SGMOYBKMTLVHKI-AWEZNQCLSA-N 323.400 2.002 0 50 DEAA Cc1ccc2c(CCNC(=O)N3CC[C@H](C)[C@@H]3CO)c[nH]c2c1 225510108 BBXZZUMTBNBIGT-GUYCJALGSA-N 315.417 2.431 0 50 DEAA CN1CCN(C(=O)CC2=CCCCC2)C[C@@H]1c1nccn1C 328618370 DRRRWTMDKQTYIS-OAHLLOKOSA-N 302.422 2.126 0 50 DEAA Cn1cnnc1[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)CCO1 328629905 ITHQXGBKPMTEJT-CVEARBPZSA-N 316.380 2.405 0 50 DEAA Cc1noc([C@H](NC(=O)c2ccc(C)o2)C2CCOCC2)n1 328614743 WVCDSXFIQYPENF-CYBMUJFWSA-N 305.334 2.177 0 50 DEAA CC(C)(CN)C(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 638682118 QSQZZNSXGJRKHB-UHFFFAOYSA-N 320.437 2.103 0 50 DEAA CCc1cccc(Cl)c1CN1CCC[C@@](O)(CC(N)=O)C1 643747717 MXLDVTASQXDDAG-MRXNPFEDSA-N 310.825 2.105 0 50 DEAA CCN1CCCC[C@@H]1CNC(=O)c1cnc(C(F)(F)F)nc1 127018753 UAKFZLJESLIBRS-LLVKDONJSA-N 316.327 2.100 0 50 DEAA O=C(NCC1CC1)C1(NCc2cccc3c2OCO3)CCCC1 154553341 KHRGTNOEZJSHLD-UHFFFAOYSA-N 316.401 2.344 0 50 DEAA O=C1CC(C(=O)NC[C@@H](c2ccc(Cl)cc2)n2ccnc2)C1 585087687 HEAPIEWBWNHIKJ-HNNXBMFYSA-N 317.776 2.221 0 50 DEAA O=C(O)COc1ccc(C(=O)N2CCC(CCF)CC2)cc1 902281690 ZINDGGAODZOJGF-UHFFFAOYSA-N 309.337 2.362 0 50 DEAA CC(C)c1nn(C)cc1NC(=O)NCc1ccc2nonc2c1 931248142 OWDAGTAZHKLDQS-UHFFFAOYSA-N 314.349 2.401 0 50 DEAA COc1cc(C(=O)Nc2nc3ccccc3n2C2CC2)ncn1 935078978 QGSCKBNAHZEDNZ-UHFFFAOYSA-N 309.329 2.422 0 50 DEAA COc1ccc([C@@H](NC(=O)c2ccn(C)c2C)C(=O)O)cc1F 851606243 MQRPQPWZLPITSI-CQSZACIVSA-N 320.320 2.037 0 50 DEAA Cn1nc(CN[C@H]2CCn3ccnc3C2)cc1-c1cccs1 2325744561 NJJWOUYYHVKHEH-LBPRGKRZSA-N 313.430 2.450 0 50 DEAA O[C@@H](CN1CCC[C@@H]1Cc1ccc(F)cc1F)Cn1cccn1 2325771988 JTZMHNOWAUJDOP-CVEARBPZSA-N 321.371 2.229 0 50 DEAA CC(C)(C)c1ncc(CNC(=O)c2cc(F)cc3nn[nH]c23)[nH]1 2325813190 UYOXGWONSOIBST-UHFFFAOYSA-N 316.340 2.048 0 50 DEAA C[C@H](CS(=O)(=O)c1ccccc1)NC[C@@H]1CCC(C)(C)CN1 873238206 YJCRFIIXNSIQSD-CABCVRRESA-N 324.490 2.217 0 50 DEAA CC[C@H](C(=O)N(C)C[C@@H](C)c1nnn[nH]1)c1ccc(F)cc1 124517059 TZQYBFKVQIZOQV-MFKMUULPSA-N 305.357 2.095 0 50 DEAA COc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 123421 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NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1F 460356 FYOARQNXWXRFMP-UHFFFAOYSA-N 317.345 2.051 0 50 DEAA Cc1ccc(C)c(-c2n[nH]cc2CN2C[C@H]3C(=O)OC[C@H]3C2)c1 2356142203 IOYYQXSDGAXLIT-GDBMZVCRSA-N 311.385 2.298 0 50 DEAA COc1ccccc1NC(=O)CNC(=O)c1ccccc1F 2881093 JSNASJIERGRJLK-UHFFFAOYSA-N 302.305 2.203 0 50 DEAA CCCN1CCC[C@]2(CCCN2C(=O)c2cncc(F)c2)C1=O 2356166899 NYKIPOJBBAIDCS-KRWDZBQOSA-N 319.380 2.228 0 50 DEAA COC[C@H](C)N1C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O 4998786 ASMWDDSOZUNJSP-NWDGAFQWSA-N 324.808 2.470 0 50 DEAA O=C(Cn1cnc2ccccc21)N1CCN(c2ccccc2)CC1 6701578 NNMBAPVGHKSYSS-UHFFFAOYSA-N 320.396 2.385 0 50 DEAA C[C@@H]1[C@@H](NC(=O)c2cccnc2N2CCOCC2)CCC[C@H]1C 246566519 SDHGMDJVWKOJCA-YCPHGPKFSA-N 317.433 2.473 0 50 DEAA CCN(CC)CC[C@H](CO)Nc1ncnc2c(C)cccc12 225535968 NWMXBIISWMMLTA-CQSZACIVSA-N 302.422 2.443 0 50 DEAA Cc1ccc(F)c(NC(=O)CN2C(=O)COc3ccccc32)c1 10683260 IHQHGJKDFYSSHW-UHFFFAOYSA-N 314.316 2.498 0 50 DEAA CC(=O)c1cc(C(=O)N2CC[C@H](CC(C)C)C2)c(=O)[nH]c1C 67771217 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310.401 2.094 0 50 DEAA Cc1nc(C)c(C(=O)N2CCOC[C@H](C3CCC3)C2)nc1C 366550839 HJJYAUAPNVVOAN-OAHLLOKOSA-N 303.406 2.291 0 50 DEAA Cc1ccc(-c2nc(CN[C@H]3C(=O)NCC[C@H]3C)cs2)o1 331920224 JJVGTVNIJIELBG-NOZJJQNGSA-N 305.403 2.326 0 50 DEAA Cc1noc(-c2cccnc2N2CC[C@H](c3nccn3C)C2)n1 374350531 KGXPEUXTCMBITK-LBPRGKRZSA-N 310.361 2.167 0 50 DEAA Cc1c(/C=C/C(=O)N[C@@](C)(CO)C2CCCCC2)cnn1C 157939254 DIZMNZOBXWHAQJ-FVNWOWOISA-N 305.422 2.189 0 50 DEAA C[C@H]1CN(C(=O)c2ccc(OCc3ccccn3)cc2)CCN1 237560098 WTLAMROXXKCUSM-AWEZNQCLSA-N 311.385 2.095 0 50 DEAA O=C(O)C[C@@H]1CN(S(=O)(=O)CCCCF)c2ccccc21 376674926 VCBJSBHOOFIEPN-LLVKDONJSA-N 315.366 2.144 0 50 DEAA O=C(c1n[nH]c2c1CCC2)N1CCCC[C@@H]1CCn1cccn1 77299313 MIVUBPNRBFTJRQ-CYBMUJFWSA-N 313.405 2.180 0 50 DEAA CSCC[C@H](O)C(=O)NCc1cc(-c2ccc(F)cc2)no1 223026666 CNNSMPMFRMHCDJ-AWEZNQCLSA-N 324.377 2.211 0 50 DEAA C[C@H]1CC(=O)c2cc(C(=O)N3CCc4ccccc43)c(=O)[nH]c2C1 49551234 SVIBXMQUPAHXCX-LLVKDONJSA-N 322.364 2.343 0 50 DEAA 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Cc1cc(O)nc(CCNC(=O)c2cccc(OC(F)F)c2)n1 584893063 FZGXQWLBVTXMTG-UHFFFAOYSA-N 323.299 2.065 0 50 DEAA O=C(NCCN1CCCC[C@H]1CO)c1ccc(F)c(Cl)c1 670452059 IVDFUNHHUUYGQJ-LBPRGKRZSA-N 314.788 2.056 0 50 DEAA Cn1ncc(-c2noc([C@@H]3CNCC34CCCC4)n2)c1Cl 1875290828 FANKURKWHZOIPU-JTQLQIEISA-N 307.785 2.371 0 50 DEAA CCOCc1cccc(NS(=O)(=O)c2c[nH]c(=N)c(C)c2)c1 1875280999 KRUHGDRJVRVLPC-UHFFFAOYSA-N 321.402 2.140 0 50 DEAA Cc1[nH]c2ccc(-c3noc([C@@]4(N)CCN(C)C4)n3)cc2c1C 888078175 UEJYMZDJBQLGNO-QGZVFWFLSA-N 311.389 2.324 0 50 DEAA C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC(=O)N3)Cc2cncnc21 1363323115 RZEZNXGSYQLDBX-LLVKDONJSA-N 322.368 2.121 0 50 DEAA CCN(CC1CCN(c2ccccn2)CC1)[C@H]1C[C@@H](C)OC1=O 222034924 ZLKIQEMXZLIVSS-ZBFHGGJFSA-N 317.433 2.324 0 50 DEAA CN1CCC[C@@H](NC(=O)Nc2nc(-c3ccccc3)ns2)C1 169965666 WAJSUPHLKKOMGC-GFCCVEGCSA-N 317.418 2.421 0 50 DEAA Cc1cscc1NC(=O)N1CCC(C)(C)S(=O)(=O)CC1 277995594 NSXRLJXILOFGQQ-UHFFFAOYSA-N 316.448 2.488 0 50 DEAA Cc1cc(C)c(C(=O)Nc2ccc(CO)c(Cl)c2)c(=O)[nH]1 170085303 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Nc1cc(N2CCC3(CC2)OCCc2ccsc23)ncn1 1548513682 NJHPDPKTSXCLEM-UHFFFAOYSA-N 302.403 2.189 0 50 DEAA Fc1ccc(N2CCCN(CC[C@H]3COCCO3)CC2)cc1 1775981079 NOCPIYVXUXKWLR-KRWDZBQOSA-N 308.397 2.143 0 50 DEAA COC[C@@H](C)NC(=O)c1coc(COc2ccc(F)cc2)n1 12454511 QEMPUSKHJAGTPH-SNVBAGLBSA-N 308.309 2.157 0 50 DEAA CCc1c(C)[nH][n+]2cnn(Cc3cccc4ccccc34)c2c1=O 13614970 XWKHUGKZKATOEY-UHFFFAOYSA-O 319.388 2.382 0 50 DEAA CN1CCC[C@@]2(CCN(C(=O)CCCc3ccccc3)C2)C1=O 14975680 NMKXXUOREWDNRD-IBGZPJMESA-N 314.429 2.480 0 50 DEAA CN(C(=O)c1cnccn1)[C@H]1CCCN(CCc2ccccc2)C1 14976263 IKCILZNBBHEZGR-KRWDZBQOSA-N 324.428 2.256 0 50 DEAA O=C(NS(=O)(=O)NC1CCCCC1)c1c[nH]c2ccccc12 16577279 YSOJMZBLSYXITM-UHFFFAOYSA-N 321.402 2.065 0 50 DEAA COC(=O)[C@@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C1CC1 1857531918 QEGKQUOFGGFDGY-SOUVJXGZSA-N 311.328 2.336 0 50 DEAA CN1CC[C@H](n2ccnc2-c2ccc(-n3ccnc3)cc2)C1=O 1857674552 NHULJOWAQDTQGA-HNNXBMFYSA-N 307.357 2.139 0 50 DEAA Cc1cc(C)n2ncc(-c3nccn3CCc3cnn(C)c3)c2n1 1857676201 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CCCN(CCN1CCCC1)C(=O)c1cc(CC)nnc1C 585082310 AKCZBTSGFXEBRK-UHFFFAOYSA-N 304.438 2.295 0 50 DEAA Cc1nc(NC(=O)N2CCC[C@@H]2c2ccc(O)cc2)nn1C 931525120 FFNUQQZUAVZRQV-CYBMUJFWSA-N 301.350 2.198 0 50 DEAA O=C([C@H]1CCOC1)N1CCc2ccc(Br)cc2C1 252509022 YBGHKSWICYRDBA-NSHDSACASA-N 310.191 2.370 0 50 DEAA CC(C)c1nsc(CN2CCCC[C@H]2CS(C)(=O)=O)n1 930644429 RRCWCNHBFOLTTL-NSHDSACASA-N 317.480 2.061 0 50 DEAA Cc1nn(C)c2c1C[C@H](NC(=O)C1CC(C(C)(C)C)C1)CN2 2325774325 KDIWERFXFAYULN-BPCQOVAHSA-N 304.438 2.254 0 50 DEAA Cc1cc(C2CN(C(=O)C[C@@H]3COc4ccccc4O3)C2)no1 2325791270 JFORTWJDEOFTOT-CYBMUJFWSA-N 314.341 2.139 0 50 DEAA Cc1cc(C)n(-c2ccc(CN[C@@H]3CCc4n[nH]cc43)cn2)n1 2325794498 DPASNRHJFUBDLV-OAHLLOKOSA-N 308.389 2.384 0 50 DEAA CCOc1ccc2c(c1)CN(C(=O)[C@H]1C[C@@](F)(CO)C1)CC2 2325805580 SYMUHDNZBFLORN-CZIWCDLHSA-N 307.365 2.081 0 50 DEAA CC(C)[C@H](C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O 45220 IXAOJXWZVICJHC-OAHLLOKOSA-N 314.385 2.320 0 50 DEAA C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1 360022 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CC(=O)c1cc(CN2CCN(C(C)C)[C@@H](CCO)C2)cs1 22932511 NHRZOFBTIZFRGW-HNNXBMFYSA-N 310.463 2.228 0 50 DEAA C[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)c1ccccc1 229376342 ADAXCTHVPNQCMM-VQIMIIECSA-N 311.429 2.321 0 50 DEAA Cc1n[nH]c(C)c1CCNC(=O)c1cnc(-c2ccccc2)nc1 67855719 ILTBDMVYSFWKCD-UHFFFAOYSA-N 321.384 2.456 0 50 DEAA C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccccc1Cl 252670724 LNPAYTCEBZSCFF-SMDDNHRTSA-N 316.854 2.100 0 50 DEAA Cc1cc(NC(=O)CN(C)CCO[C@H]2CCCC[C@H]2C)no1 230147819 ZYETUVWRBVELFR-OCCSQVGLSA-N 309.410 2.449 0 50 DEAA CC1(C)[C@H](NCc2ccccc2OCCO)[C@@H]2CCCO[C@H]21 230209650 QEYWUNINMWWQEP-USXIJHARSA-N 305.418 2.351 0 50 DEAA CC[C@@H](COC)NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1 172398848 KYKHMKNOXSTQQZ-LSDHHAIUSA-N 310.369 2.334 0 50 DEAA Cc1ncn(-c2ccc(NC(=O)c3cc4n(n3)CCO4)cc2)c1C 360932782 XYQMUGHUQATCEK-UHFFFAOYSA-N 323.356 2.330 0 50 DEAA CCCn1nnnc1CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 328653001 WRWQKAQRLIUFCN-CQSZACIVSA-N 315.425 2.022 0 50 DEAA CN(C(=O)CCc1ncc(-c2ccccc2)o1)C1CCNCC1 125351169 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Cc1n[nH]c(C)c1CCCN(C)C(=O)c1c(C)nn(C)c1C 223398849 DXQNPLBBJOYGEX-UHFFFAOYSA-N 303.410 2.082 0 50 DEAA CC[C@@H](C(=O)N1CC(Oc2ccccc2C)C1)N1CCCC1 91872806 VAVPWZLZRALXKJ-INIZCTEOSA-N 302.418 2.459 0 50 DEAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)[C@@H](C)N1CCCC1=O 97499612 HJINPKOUXPHVQR-CQSZACIVSA-N 320.437 2.050 0 50 DEAA COc1ccc(Cl)cc1/C=C/C(=O)N1CC[C@@H](C(=O)O)C1 237252943 ZYPMURIHOZIUDY-XGQHYKRYSA-N 309.749 2.295 0 50 DEAA COc1cccc(OCC(=O)N2CC[C@](C)(O)C(C)(C)C2)c1 91873429 NMZCLWXCJQYGNQ-KRWDZBQOSA-N 307.390 2.084 0 50 DEAA C[C@@H](CCc1ncnn1CCc1ccccc1)N1CCOCC1 92081068 GTTZEXKQRLTCTI-INIZCTEOSA-N 314.433 2.174 0 50 DEAA COC(=O)c1ccc(OC2CCNCC2)c(Br)c1 260514955 SVWPERPOHJNFLE-UHFFFAOYSA-N 314.179 2.367 0 50 DEAA Cc1ccccc1[C@@H](CNC(=O)CCc1ccno1)N(C)C 534592758 KGYLEYAXLPRVKW-MRXNPFEDSA-N 301.390 2.335 0 50 DEAA CCN(CCOC)C(=O)NCc1c[nH]nc1-c1cccs1 534661624 LNSXNTBMPDCDSV-UHFFFAOYSA-N 308.407 2.316 0 50 DEAA C[C@H](NC(=O)CN1Cc2ccccc2C1)c1nc(C2CC2)no1 299783442 ZIVTZDOTYANASD-NSHDSACASA-N 312.373 2.140 0 50 DEAA CC[C@H](NC(=O)c1cn2cc(C)ccc2n1)c1ncnn1CC 299795822 NLLZNCWCBWUMON-LBPRGKRZSA-N 312.377 2.135 0 50 DEAA CC(=O)c1cc(CC(=O)N[C@H](c2ncnn2C)C(C)C)cs1 299792022 CSFGBUWVLKGOHC-AWEZNQCLSA-N 320.418 2.135 0 50 DEAA C[C@@H](C(=O)N(C)Cc1cc2ccccc2s1)n1cnnn1 584891196 KJQQGAMSGRAYPD-JTQLQIEISA-N 301.375 2.107 0 50 DEAA CCc1ccc([C@@H](C)C(=O)NC2CCN(CC(=O)O)CC2)cc1 868446550 AOBIDQVUULUMEM-CYBMUJFWSA-N 318.417 2.018 0 50 DEAA O=C(O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1ccncc1F 952890711 YMMFHMPSNGFQEL-LBPRGKRZSA-N 318.308 2.009 0 50 DEAA CCO[C@H](C)c1nc(C)c(C(=O)NC/C=C/C(=O)OC)s1 1875273212 GBPRUCFNWPJTSE-VQCYPWCPSA-N 312.391 2.008 0 50 DEAA CCn1nc2c(c1C(=O)NCCc1ccc[nH]1)C[C@H](C)O[C@@H]2C 1875314405 WFZYCLFIUINMSL-NWDGAFQWSA-N 316.405 2.226 0 50 DEAA Cc1nc(N2CCCCC2)sc1CNC(=O)/C=C/CN(C)C 1875379928 ZUMMJJIUUWUIGE-BQYQJAHWSA-N 322.478 2.176 0 50 DEAA CCc1ccc(S(=O)(=O)N2CCCN(C(C)C)CC2)s1 952977220 BLFNMJRLRLGFJB-UHFFFAOYSA-N 316.492 2.415 0 50 DEAA Cc1csc2c(NCCN3CCC[C@H](CO)C3)ncnc12 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902000017 KCAHVYNJDXHJSM-UHFFFAOYSA-N 312.391 2.197 0 50 DEAA Cn1ccc(C2CCN(C(=O)Nc3ccccc3CN)CC2)n1 904621793 CCEDVFQQVYRLOP-UHFFFAOYSA-N 313.405 2.290 0 50 DEAA O=C(O)C1CCC(NC(=O)N2CCC(OC3CCC3)CC2)CC1 1650317857 BVJNXOFLCCHNMZ-UHFFFAOYSA-N 324.421 2.373 0 50 DEAA CCc1ncncc1C(=O)N(C)Cc1c(C)nn(C)c1Cl 846027542 QUQFANOLEPYBBB-UHFFFAOYSA-N 307.785 2.007 0 50 DEAA COc1ccc(F)cc1CN1C[C@@H](CC(=O)O)OCC1(C)C 2325788018 ICPKBGAOHZXRMS-CYBMUJFWSA-N 311.353 2.288 0 50 DEAA CONC(=O)c1ccc(C(=O)c2cc(OC)ccc2OC)cc1 296759 SCQAOFQHDXRVDH-UHFFFAOYSA-N 315.325 2.226 0 50 DEAA CC[C@]1(O)CCC[C@H]2CN(Cc3[nH]cc(C)c(=O)c3C)C[C@H]21 2356164068 CWDBMEFJIJZVSY-DAYGRLMNSA-N 304.434 2.365 0 50 DEAA Cc1cccn2ncc(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)c12 2356166764 MQKBQLZNXRRAJV-HAQNSBGRSA-N 301.346 2.016 0 50 DEAA C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCC1 4247275 LLBDJAHXANQXDW-IHWZXDPASA-N 304.434 2.330 0 50 DEAA CS(=O)(=O)n1nc(-c2ccco2)nc1NCc1cccs1 4810464 KEBHEYGMVGCMBE-UHFFFAOYSA-N 324.387 2.019 0 50 DEAA CC(C)N(C[C@H]1CCC(=O)N1)C(=O)N[C@@H](C)c1cccc(O)c1 413258583 CEFNRJIFMICANC-GXTWGEPZSA-N 319.405 2.152 0 50 DEAA O=C(NC[C@H]1CCCCO1)Nc1n[nH]c(-c2ccccc2F)n1 23337627 FAWJEWKLLWCEBN-SNVBAGLBSA-N 319.340 2.301 0 50 DEAA Cc1cc(C)n(CC[C@@H]2CC(=O)NCc3nc4ccccn4c32)n1 65373905 IOXHRECUTXMQHN-CQSZACIVSA-N 323.400 2.341 0 50 DEAA CC(=O)c1cccc(NC(=O)CNC(=O)c2cccc(F)c2)c1 27466527 RZUZEBJEBNGNDK-UHFFFAOYSA-N 314.316 2.397 0 50 DEAA CNc1ncccc1C(=O)N1CCCC2(CCN(C)CC2)CC1 67757543 QYWJAIAANUAPFJ-UHFFFAOYSA-N 316.449 2.461 0 50 DEAA Cc1occc1CN(C)C(=O)[C@@H]1CN(C)C(=O)c2ccccc21 365345100 MRYDGSUBCMFHDE-MRXNPFEDSA-N 312.369 2.416 0 50 DEAA COCCCNC(=O)c1cc(C(=O)Cc2ccccc2)c[nH]1 4085192 FXEJVDXPOLLLPD-UHFFFAOYSA-N 300.358 2.206 0 50 DEAA COCC[C@@H]1COCCN1C(=O)Nc1cc(C)c2c[nH]nc2c1 361697791 VJHSQJIWNCHKIW-CYBMUJFWSA-N 318.377 2.141 0 50 DEAA Cc1ccn(CCN2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1 77472602 OAWKIPVELUZBNA-SFHVURJKSA-N 318.465 2.305 0 50 DEAA Cn1ccnc1[C@H](O)C1CCN(CCCC2CCOCC2)CC1 372134994 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COCCc1nsc(NCc2ccc(N3CCCC3)nc2)n1 176770662 IWXUJHSVRBVOKK-UHFFFAOYSA-N 319.434 2.334 0 50 DEAA Cc1ccc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)n1 44394465 BJOPEFXBORVBBP-UHFFFAOYSA-N 311.263 2.209 0 50 DEAA CCCCc1nc(C)cc(NCCNC(=O)c2cc[nH]c2C)n1 426589740 HRBSJBWJXPSBJP-UHFFFAOYSA-N 315.421 2.606 0 50 DEAA CCn1ccnc1CN(C)C(=O)[C@H](c1ccc(C)cc1)N(C)C 95360875 ZBZXLRADKDFBCN-KRWDZBQOSA-N 314.433 2.473 0 50 DEAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H](C)n1cc(Cl)cn1 426382848 AVHYFKMNUNRKDM-LLVKDONJSA-N 309.801 2.186 0 50 DEAA CN(CC1(CO)CCOCC1)C(=O)Nc1cccc(N(C)C)c1 96139534 GLCLIIMKAZKGPA-UHFFFAOYSA-N 321.421 2.005 0 50 DEAA CC(=O)c1cnc(N2CCC(Cn3cc(C)cn3)CC2)nc1C 95357672 GIZFMYRSHBKIFG-UHFFFAOYSA-N 313.405 2.409 0 50 DEAA CCOCC(=O)N1CCc2[nH]c(-c3ccc(OC)cc3)nc2C1 96151975 JCHJUEZJHMFMLN-UHFFFAOYSA-N 315.373 2.007 0 50 DEAA CC[C@@H](c1nc(C)nn1-c1ccccc1OC)N1CCOCC1 96148242 KZAMSMJYGOVZEG-AWEZNQCLSA-N 316.405 2.368 0 50 DEAA CC(=O)N1CCN(C(=O)[C@@H](C)Cc2ccccc2)C(C)(C)C1 180905340 BRTLTZYRABCPGP-AWEZNQCLSA-N 302.418 2.335 0 50 DEAA O=C1CN(c2ncnc3cc(F)ccc23)CCN1C1CCCC1 91848825 DLIQLCDPBROIQY-UHFFFAOYSA-N 314.364 2.360 0 50 DEAA CSCC(=O)N1CCCN(C2Cc3ccccc3C2)CC1 244794919 QWMBIOUDJPBZFV-UHFFFAOYSA-N 304.459 2.051 0 50 DEAA O=C(O)C[C@H]1CCCN(S(=O)(=O)c2ccc(C3CC3)cc2)C1 297003834 RATIBVRXGCEEST-GFCCVEGCSA-N 323.414 2.439 0 50 DEAA CC(C)Cn1ccc2c(OCC(=O)Nc3nnc[nH]3)cccc21 252486439 HLGMFJWEZVNCJS-UHFFFAOYSA-N 313.361 2.433 0 50 DEAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccnc(C2CC2)n1 299748272 GQQQGXNVAAPMGD-HNNXBMFYSA-N 323.352 2.006 0 50 DEAA CO[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 267822486 YGQBFSAETSUIMJ-JTQLQIEISA-N 309.309 2.115 0 50 DEAA C[C@H](c1ccc(-c2ncn(CC(=O)O)n2)cc1)N1CCCC1 534638562 FZRCHWFUPIXTBR-GFCCVEGCSA-N 300.362 2.187 0 50 DEAA COc1cc(CNC(=O)N(C)[C@@H]2CCOC(C)(C)C2)ccc1O 534590951 FHFBRFWBPAHQCA-CYBMUJFWSA-N 322.405 2.500 0 50 DEAA CCn1nc(C)c([C@H](C)NC(=O)c2ccn(CC)c(=O)c2)c1C 299764058 JWQBQELGXFLBHO-NSHDSACASA-N 316.405 2.192 0 50 DEAA Cc1cc(=O)cc(C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)n1C 299787332 QDTBRYMTWGJWAU-UHFFFAOYSA-N 319.449 2.075 0 50 DEAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@H]1CCOC1 827778772 XXNJUPNLSPWTMO-JTQLQIEISA-N 307.781 2.302 0 50 DEAA C[C@H]1CC(=O)N[C@@H](C(=O)Nc2ccc3c(cnn3C(F)F)c2)C1 866866776 WDYTZBKKHFDLKZ-LDYMZIIASA-N 322.315 2.285 0 50 DEAA CC(C(=O)N1CCCC[C@@H]1c1n[nH]cc1C(N)=O)=C1CCCC1 685942042 MGDOJTHKFNGVJN-CQSZACIVSA-N 316.405 2.453 0 50 DEAA Brc1ccc2c(c1)COCCN2Cc1cnon1 1875276438 HWGLAXLKAKOZQM-UHFFFAOYSA-N 310.151 2.369 0 50 DEAA C[C@@H](OC1CN(c2nc3ccccc3c(=N)[nH]2)C1)C(F)(F)F 1875272142 MEKVYGKIOVWIQV-MRVPVSSYSA-N 312.295 2.198 0 50 DEAA COc1ccc(-c2cc(N3C[C@@H]4CCN(C)[C@@H]4C3)ncn2)cc1 1875275756 IINXGMOVRGVXSA-WMLDXEAASA-N 310.401 2.293 0 50 DEAA C=CC(=O)NCCCN(C)C(=O)c1cnn(C2CCCC2)c1C 1875389247 HPORPSHPZRINGP-UHFFFAOYSA-N 318.421 2.071 0 50 DEAA CC(=O)Nc1ccccc1CC(=O)N1CCOC[C@]1(C)C1CC1 890586079 BSBPMWBLNMMNIY-GOSISDBHSA-N 316.401 2.215 0 50 DEAA COc1ccc(C(=O)N2CCC[C@H]2c2ccc(N)nn2)c(F)c1 888077192 RMLMEMKTHACABW-AWEZNQCLSA-N 316.336 2.184 0 50 DEAA CCOc1cc(N2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)ncn1 888103012 ZLNYNKGQBSECPY-OLZOCXBDSA-N 317.393 2.182 0 50 DEAA Cc1ccnc(CNS(=O)(=O)N(C)C2CCCCC2)c1F 1775992896 OWVNHRPAMWVANO-UHFFFAOYSA-N 315.414 2.128 0 50 DEAA OCCc1cn(C[C@]23C[C@H]2COC32CCC2)nc1C(F)(F)F 1775990880 HYGZTUQANIWTDN-WCQYABFASA-N 316.323 2.396 0 50 DEAA Cc1nn(CCC(=O)O)c(C)c1NC(=O)Cc1cccc(F)c1 630334206 XHBZNJHEVNFINA-UHFFFAOYSA-N 319.336 2.295 0 50 DEAA O[C@]1(C(F)(F)F)CCN(c2nnc(-c3ccccn3)s2)C1 185729062 LEZSIACRCZBMQL-LLVKDONJSA-N 316.308 2.104 0 50 DEAA CC(C)C[C@@H]1C(=O)NCCN1c1cnc2cc(F)c(F)cc2n1 275487488 QOQISEHTSIJMNB-CQSZACIVSA-N 320.343 2.259 0 50 DEAA CN(CCC(=O)O)C(=O)CCSc1cc(F)ccc1F 170676022 SYUUFLAMUQHTKU-UHFFFAOYSA-N 303.330 2.380 0 50 DEAA COc1ccccc1C1(CNC(=O)CC2OCCO2)CCCC1 170607951 IZZUVDZYWZMSAP-UHFFFAOYSA-N 319.401 2.386 0 50 DEAA C[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@@]2(CCO[C@@H]2C)O1 279748824 KYENLTZHCWCZHJ-IIDMSEBBSA-N 319.401 2.250 0 50 DEAA COC1(CNC(=O)N2CCC([C@H](C)O)CC2)CCC(C)CC1 408309536 YKLKLDYKFISDHV-UUCFBXCCSA-N 312.454 2.384 0 50 DEAA Cn1cncc1[C@H]1C[C@H](NC(=O)c2cc3ccccn3c2)CCO1 408474252 MSXLJXRJEMKPCY-RHSMWYFYSA-N 324.384 2.323 0 50 DEAA COc1ccccc1[C@@H](C)CC(=O)N1CC[C@@H](C(=O)N(C)C)C1 408521465 VIMKLHKYPYJLRD-UONOGXRCSA-N 318.417 2.126 0 50 DEAA CNC(=O)CCN(C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 171898855 YJZIIVXEZJVPMF-CYBMUJFWSA-N 317.433 2.404 0 50 DEAA O[C@H]1CCCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 634636351 AWUTXEQRYUHONQ-STQMWFEESA-N 320.216 2.190 0 50 DEAA CN(C)CC[C@H]1CCCCN1C(=O)CNCc1ccccc1 72454342 MRDREJPAUREMHK-QGZVFWFLSA-N 303.450 2.109 0 50 DEAA CN(C)Cc1ccccc1CNC(=O)[C@]1(C(=O)O)CC=CCC1 653293672 GRNNMDHBPHXDKE-SFHVURJKSA-N 316.401 2.176 0 50 DEAA CC[C@H](C)NC(=O)CNc1cc(Br)ccc1CO 241408991 NDPZSFLOSBSDJK-VIFPVBQESA-N 315.211 2.268 0 50 DEAA COCC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704301037 HGVFZEGCRGFIOG-UHFFFAOYSA-N 314.385 2.205 0 50 DEAA O=C(O)[C@H]1CN(Cc2cccc(F)c2C(F)(F)F)CC[C@H]1O 1704299687 QNSPZUOJZKVBEX-GXSJLCMTSA-N 321.270 2.112 0 50 DEAA COc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CF)[C@@H]3C2)c(C)c1C 1614994167 MGQLHTHPTGWRHA-XYYAHUGASA-N 313.394 2.148 0 50 DEAA Clc1nc(N2CCNc3ccccc3C2)c2nc[nH]c2n1 1639264434 AZVHPURBCHZRMX-UHFFFAOYSA-N 300.753 2.438 0 50 DEAA CCC(=O)Nc1cc(S(=O)(=O)N[C@H](C)CC)ccc1OC 16579856 OSEWJLODNLIFLM-SNVBAGLBSA-N 314.407 2.121 0 50 DEAA Cc1ccccc1-n1nnc(C(=O)NCc2ccccn2)c1C 16623341 WQPIFGIVBCKANH-UHFFFAOYSA-N 307.357 2.209 0 50 DEAA Cc1ccc(C(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)c(Cl)c1 334027291 IAIPHQSUBJRHON-SNVBAGLBSA-N 320.780 2.492 0 50 DEAA CC(C)(O)[C@H]1CCCN1C(=O)c1ccnc(OC2CCC2)c1 305711659 KCABPOLQPQHBFI-CQSZACIVSA-N 304.390 2.388 0 50 DEAA Cc1nc([C@H]2CCCCN2Cc2ncnn2CC(C)C)n[nH]1 408473340 QXQKAFCTERMQKX-CYBMUJFWSA-N 303.414 2.088 0 50 DEAA CC(=O)N1CCN(CCN[C@H](c2cccs2)C(C)C)CC1 225544282 QOTKUKFSKPGFEX-INIZCTEOSA-N 309.479 2.199 0 50 DEAA Cc1nnc([C@@H]2COCCN2C(=O)c2cc(C)sc2C)o1 328610740 JARJQBAUMFEJAM-LBPRGKRZSA-N 307.375 2.270 0 50 DEAA COc1ccc(CC(=O)N2CCC[C@H]([C@H](C)N)C2)c(Cl)c1 237175107 XCEGTTWPUHVIQC-AAEUAGOBSA-N 310.825 2.477 0 50 DEAA COc1ccnc(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 253395083 PBRNOSNMRKFDDP-GWCFXTLKSA-N 307.300 2.076 0 50 DEAA CCN(C(=O)N1CCC(OC)(C(=O)O)CC1)c1ccccc1 390212330 LQNJEODAGYFQMP-UHFFFAOYSA-N 306.362 2.199 0 50 DEAA CCC[C@]1(C(=O)O)CCN(Cc2sc(C)nc2C)C[C@@H]1O 1704325809 RXOGTVKXXHXMNC-ZFWWWQNUSA-N 312.435 2.198 0 50 DEAA O=C(c1ccc2c(n1)CNCC2)N1CC[C@@H](c2ccccc2)C1 912443008 STTINIABTUMZQX-MRXNPFEDSA-N 307.397 2.357 0 50 DEAA CCn1cc(S(=O)(=O)Nc2ccc(-c3ccno3)cc2)cn1 1432199 KVKKVVNEBIGIHI-UHFFFAOYSA-N 318.358 2.359 0 50 DEAA COc1cc2oc3ccccc3c2cc1NC(=O)Cn1cnnn1 4776563 XMHSZVUVYUQDPO-UHFFFAOYSA-N 323.312 2.220 0 50 DEAA CN(C(=O)c1nn(C)c2c1CNCC2)c1ccc2ccccc2c1 2325778373 VYPKJAMKWNWNBY-UHFFFAOYSA-N 320.396 2.496 0 50 DEAA Cc1ccc([C@@H](CN(C)C)NC(=O)c2[nH]nc3ncccc23)cc1 2325798870 GRXIFOSWFJTQKE-OAHLLOKOSA-N 323.400 2.299 0 50 DEAA C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ccnc(C(N)=O)n1 2325807414 YQWCJCOWODWMSH-PWSUYJOCSA-N 300.337 2.097 0 50 DEAA Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)O)c(C)cc1Cl 265765 YNUNTLUMSYLXOL-NSHDSACASA-N 317.794 2.195 0 50 DEAA COc1ccc(NC(=O)c2c(O)[nH]c3ccccc3c2=O)cc1 289916 JKZDFNIUPAUZDX-UHFFFAOYSA-N 310.309 2.495 0 50 DEAA CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2C1=O 1066248 FDYCCKWNLBLSIN-UHFFFAOYSA-N 310.309 2.026 0 50 DEAA CC(C)(C)Nc1nc(NC(C)(C)C)nc(N2CCOCC2)n1 4011637 LJLFOQOFQPSLPZ-UHFFFAOYSA-N 308.430 2.129 0 50 DEAA biogenic O=C(C(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1 4121187 HLJHHBVNRGDMLW-UHFFFAOYSA-N 320.392 2.156 0 50 DEAA COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 4187145 OKPFPPIFEZEMLY-CYBMUJFWSA-N 324.764 2.158 0 50 DEAA COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ncccn1 4436608 SLSGFEUDZXHQIU-UHFFFAOYSA-N 320.736 2.349 0 50 DEAA O=C(NN1C(=O)c2ccccc2C1=O)c1cc2ccccc2o1 4869966 HEMQNJOSIBEIQE-UHFFFAOYSA-N 306.277 2.374 0 50 DEAA CN1CCN(C(=O)c2ccc(NC[C@H]3CCC=CO3)cc2)CC1 225512786 RPMOQPJHNPOBTL-QGZVFWFLSA-N 315.417 2.179 0 50 DEAA Cc1ccc(CCS(=O)(=O)Nc2ccc(N(C)C)cn2)cc1 225706604 DUNKLBJEKOSQIM-UHFFFAOYSA-N 319.430 2.440 0 50 DEAA O=C(N[C@@H]1CCCCNC1=O)c1ccc(Oc2ccccc2)o1 20514508 GQMCELVHGSRKKG-CYBMUJFWSA-N 314.341 2.470 0 50 DEAA CCc1noc(CN(C)S(=O)(=O)c2cc(C)sc2C)n1 103160029 CSCJPMXBXUBVMV-UHFFFAOYSA-N 315.420 2.131 0 50 DEAA c1ccc(CCN2CCN(c3ncnc4[nH]ccc34)CC2)cc1 65411020 QIQMABNUFXJSSL-UHFFFAOYSA-N 307.401 2.323 0 50 DEAA CCN(C(=O)[C@H](C)N1CCC2(CCN2)CC1)c1ccccc1 422625429 BOBQFSXFNWFDKV-HNNXBMFYSA-N 301.434 2.256 0 50 DEAA COc1ccc(CCCC(=O)N2C[C@H](C(C)C)[C@@H](N)C2)cc1 219561468 KRLJMAZZOBOXQN-SJORKVTESA-N 304.434 2.460 0 50 DEAA Cc1ccsc1-c1nc(CN2CCNC(=O)[C@@H]2C)c(C)o1 67847614 UUYINVJRIJBPJV-JTQLQIEISA-N 305.403 2.340 0 50 DEAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 311322 NERCEXSWOAFAFC-AWEZNQCLSA-N 304.346 2.228 0 50 DEAA COc1ccc(NC(=O)c2cccc(F)c2)cc1-n1cnnn1 36366909 GVXRPTQLXQTZLY-UHFFFAOYSA-N 313.292 2.062 0 50 DEAA FC(F)(F)c1cn2c(n1)CC[C@H](CNCc1csnn1)C2 328624252 CILQNRZLZLOMBN-MRVPVSSYSA-N 317.340 2.106 0 50 DEAA CCn1cnnc1[C@@H]1CCCN(c2noc(-c3ccoc3)n2)C1 253431767 TVPJRUVGMAHJLT-LLVKDONJSA-N 314.349 2.325 0 50 DEAA O=C(NCCn1cc(Cl)cn1)C1(N2CCCC2)CCCCC1 219368269 UNEBKGNRLSPBJU-UHFFFAOYSA-N 324.856 2.451 0 50 DEAA CC(C)c1ccc(C[C@@H]2CCN(CCC(=O)NC(N)=O)C2)cc1 363795973 IMYIEHFJLFNJRR-HNNXBMFYSA-N 317.433 2.259 0 50 DEAA Cc1ccc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)c(=O)n1C 487039972 MPFUXKZGTQJCKD-UHFFFAOYSA-N 322.368 2.014 0 50 DEAA CCn1ccc(C(=O)N[C@H](c2cc(C)ccn2)C2CC2)cc1=O 216302315 ORCJGESOOCSSTQ-KRWDZBQOSA-N 311.385 2.453 0 50 DEAA O=C(N[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)c2ccccc21 283799386 BGXUACSBPWFIJW-OCCSQVGLSA-N 305.399 2.173 0 50 DEAA C[C@H](CNC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)O 237499579 MCWQBVYMXDXLQL-SNVBAGLBSA-N 321.304 2.448 0 50 DEAA O=C(NCCCOc1ccc(Cl)cc1Cl)[C@H]1CCNC1 237763358 ZIBLDGZMXOOPGV-JTQLQIEISA-N 317.216 2.488 0 50 DEAA Cc1cc(NC(=O)[C@@](C)(O)C2CC2)ccc1C(=O)NC(C)C 286208778 GDOZBFHVOUEYKR-KRWDZBQOSA-N 304.390 2.233 0 50 DEAA Cc1nn(C)c2ncc(C(=O)O[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)cc12 241644245 PPNKFOZSYHUNNE-MRVWCRGKSA-N 315.373 2.247 0 50 DEAA O=C(CSCC1CC1)NCc1cc(-c2ccccn2)no1 426515462 CDEKVXWGCIZPRR-UHFFFAOYSA-N 303.387 2.496 0 50 DEAA O[C@@H]1CN(Cc2ccc(Cl)s2)CC[C@H]1Nc1ncccn1 426612359 IPNYJWXMZNCIJN-VXGBXAGGSA-N 324.837 2.239 0 50 DEAA CCc1nc(C)sc1C(=O)N1CCC(n2cnnc2)CC1 426430646 HRFGPHQNRBSPPB-UHFFFAOYSA-N 305.407 2.083 0 50 DEAA COC[C@H](c1ccccn1)N(C)C(=O)c1onc2c1CCCC2 426518019 ZQMWKPNYEFKGJR-OAHLLOKOSA-N 315.373 2.408 0 50 DEAA Cc1nc(CN2CCC[C@H](c3ccn(CCO)n3)C2)cs1 426500096 LWERTIFMFUDIGD-ZDUSSCGKSA-N 306.435 2.020 0 50 DEAA Cc1cc(N2CCC(NCc3conc3C)CC2)nc(C)n1 293644977 RXGDIRIOMOLXLW-UHFFFAOYSA-N 301.394 2.148 0 50 DEAA CC(C)c1ncc(C(=O)N2CCN[C@@H](c3ccccc3)C2)cn1 96154097 LYVWWLVHWQCVGC-MRXNPFEDSA-N 310.401 2.387 0 50 DEAA Cc1nccnc1N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91475221 ZSHPPLYBUSATOT-GOSISDBHSA-N 314.433 2.404 0 50 DEAA CC(NC(=O)c1cc(S(C)(=O)=O)cs1)(C1CC1)C1CC1 620025993 IAHHLJOARCDEET-UHFFFAOYSA-N 313.444 2.460 0 50 DEAA C[C@H]1[C@H](NC(=O)Nc2ccnnc2)CCN1Cc1ccccc1 297373800 IRNQDJABLQTLNP-XJKSGUPXSA-N 311.389 2.261 0 50 DEAA O=C(CCO)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 91319967 HILTUZVYZTYXDP-CYBMUJFWSA-N 321.327 2.027 0 50 DEAA CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239306033 GIGSGDYORBGHQR-KBCNZALWSA-N 323.348 2.169 0 50 DEAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)CCc1csc(N)n1 96162294 OUSKWNMGMCGCIJ-GFCCVEGCSA-N 321.450 2.086 0 50 DEAA C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCCO1 299158491 QCZWPKDHRWAMRB-BHYGNILZSA-N 302.418 2.335 0 50 DEAA COc1ccccc1OCC(=O)N1CCCC[C@H]1CCC(=O)O 299743872 PQJDATOBUUSOPE-ZDUSSCGKSA-N 321.373 2.320 0 50 DEAA CN(C(=O)c1ncc(F)cc1F)[C@H]1CCO[C@@H]1c1cccnc1 299746452 XLVHAIHLOQMAAL-DZGCQCFKSA-N 319.311 2.357 0 50 DEAA O=C(N[C@@H](C(=O)O)[C@@H]1CCCOC1)c1ccc2ccccc2c1 262720695 DULCPBRDXMVVCH-HZPDHXFCSA-N 313.353 2.449 0 50 DEAA COc1cccc2ncn(CCN3CCCCCC3)c(=O)c12 584896456 MIBMVWGYDZTZAM-UHFFFAOYSA-N 301.390 2.281 0 50 DEAA CC[C@H](C)N(CCO)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 585137271 QAXODWBXCOHPKY-DOTOQJQBSA-N 319.449 2.063 0 50 DEAA CC[C@H](NC(=O)c1cccn1C)c1ccc(S(C)(=O)=O)cc1 670453466 YXYIXUZKGOTEII-AWEZNQCLSA-N 320.414 2.310 0 50 DEAA Nc1nc(N)c2c(n1)NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 670416206 ZINIYDSBOAQBLV-MRVPVSSYSA-N 323.278 2.134 0 50 DEAA CNC(=O)C[C@H]1CCN(Cc2cnn(-c3ccccc3C)c2)C1 670466078 ZMXIWPURWNGNHX-OAHLLOKOSA-N 312.417 2.139 0 50 DEAA CON1CCC(c2nc(-c3ccc4c(c3)CCO4)no2)CC1 864091353 STPMKDYBEZUTSP-UHFFFAOYSA-N 301.346 2.412 0 50 DEAA COC(C)(C)c1noc(CN2CCc3ccc(O)cc3C2)n1 1875281444 BHZAZQCZJSIXKF-UHFFFAOYSA-N 303.362 2.215 0 50 DEAA O=C(c1cccc2cccn12)N1CCC(c2nnc(O)o2)CC1 1875310187 HZEGRSDCJSZJLG-UHFFFAOYSA-N 312.329 2.048 0 50 DEAA CCn1ccc(=O)c(NC(=O)c2cc3n(n2)[C@H](C)CCC3)c1 1875306989 SGYVDTDFRJDRGV-LLVKDONJSA-N 300.362 2.214 0 50 DEAA Cc1nnc(CN2CCC(CNC(=O)c3ccccc3)CC2)o1 952974062 ITEGFTXPJJQITA-UHFFFAOYSA-N 314.389 2.020 0 50 DEAA O=C(/C=C/c1cc(CO)cs1)N[C@H]1c2ccccc2C[C@@H]1O 952962245 BLYMUSYHJFMIFV-KAWBWNIXSA-N 315.394 2.028 0 50 DEAA Cc1cc(C)cc([C@H](O)CN2CCC[C@H](c3nnc(N)o3)C2)c1 878945685 QJEZDNIHNXRXTH-DZGCQCFKSA-N 316.405 2.182 0 50 DEAA O=C(c1cccc2ncnn12)N1CCC[C@H](C2CCOCC2)C1 886152974 TUTUWIOJVYFXFU-AWEZNQCLSA-N 314.389 2.008 0 50 DEAA COc1cccc(-c2sc(N3CCOCC3)nc2C(=O)O)c1 1776005524 GISCOQNRWGCGHT-UHFFFAOYSA-N 320.370 2.354 0 50 DEAA O=C(Nc1ccc(Cl)c2ccccc12)N[C@H]1CNCC[C@@H]1O 1565531328 KJFHESGHTCZPSK-GJZGRUSLSA-N 319.792 2.338 0 50 DEAA NC[C@H]1CCCN(Cc2ccc(OCCN3CCCC3)cc2)C1 170597523 PYSVNDGGWCXRMX-GOSISDBHSA-N 317.477 2.332 0 50 DEAA COC(=O)c1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1 707987048 BCYOFJPBLQVXGV-LLVKDONJSA-N 309.318 2.124 0 50 DEAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(-c2nnc(S)o2)cc1 191433879 YTVMCOAWZVWOPS-GRYCIOLGSA-N 317.370 2.075 0 50 DEAA CCOC(=O)c1csc(C2CCN(Cc3cc[nH]n3)CC2)n1 192036617 SLNWCJVZOOXVFB-UHFFFAOYSA-N 320.418 2.423 0 50 DEAA Cc1ccn(CC(=O)N[C@@H]2CCCOc3ccccc32)c(=O)c1 194513716 YSFSZEQOTRUIBK-OAHLLOKOSA-N 312.369 2.187 0 50 DEAA O=C(c1snc(O)c1Cl)N1CCO[C@@H](C2CCC2)C1 333938138 MCLVIYKLSJNXTC-MRVPVSSYSA-N 302.783 2.143 0 50 DEAA CN1CCOC2(CCN(c3ccc(-c4ccccc4)nn3)CC2)C1 1772807654 QPGPIURQKBCELD-UHFFFAOYSA-N 324.428 2.445 0 50 DEAA COC[C@@H]1CCN(C(=O)c2cn(CCC3CCCCC3)nn2)C1 11843920 ZNAQGOPGAJOMQD-OAHLLOKOSA-N 320.437 2.357 0 50 DEAA CC(C)(C)c1ccc(/C=C/C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2693186 BGHCKGJSPYFXPS-PPYMECGQSA-N 321.442 2.301 0 50 DEAA C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 408069450 BLOHAFJECQLAHY-KBUPBQIOSA-N 315.479 2.484 0 50 DEAA Cc1cc(F)ccc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C 328608923 BSDKAJHMVGPRGX-JKSUJKDBSA-N 317.364 2.436 0 50 DEAA C[C@H](C(=O)N1CC[C@@]2(CN=C(O)C2)C1)c1ccc2c(c1)OCO2 329054861 HVVWLUXPALPAEN-APPDUMDISA-N 316.357 2.098 0 50 DEAA Cc1nnc(CCC(=O)N[C@H]2COc3ccc(Cl)cc32)o1 635688425 BRXZDUIZUOEVFI-NSHDSACASA-N 307.737 2.214 0 50 DEAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1noc2c1CCCC2 252551369 UDFSDXUHOFKILU-UHTWSYAYSA-N 318.373 2.411 0 50 DEAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1[nH]nc(CC)c1C)C2 253599843 YGYSRPLSOPKOOK-KBPBESRZSA-N 304.438 2.227 0 50 DEAA O=C1c2ccccc2CN1CC(=O)N1CCC[C@H]1c1cccnc1 592014166 OGNRWETXFRJYGX-KRWDZBQOSA-N 321.380 2.401 0 50 DEAA CCOc1cc2c(cc1CNC(=O)/C=C/CN(C)C)O[C@@H](C)C2 265623485 HXCZSAXCEOKBLH-YBJDMEARSA-N 318.417 2.143 0 50 DEAA CN(C)c1ccccc1CN[C@H]1CCC[C@H](S(C)(=O)=O)C1 265910556 XMSYNOVPUSICNY-GJZGRUSLSA-N 310.463 2.198 0 50 DEAA C[C@@H](CC(C)(C)C)NCc1cn(CC(F)(F)F)c(=O)nc1O 903237008 SSSVXMOVDOSWDK-VIFPVBQESA-N 321.343 2.426 0 50 DEAA C[C@@]1(c2nc(-c3ccccc3-n3cccn3)no2)CCNC(=O)C1 903995911 UNOKORTXGWSYLU-QGZVFWFLSA-N 323.356 2.090 0 50 DEAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccnn1C1CCC1 933509485 RWWOVCACAXIXDW-LLVKDONJSA-N 315.421 2.319 0 50 DEAA Cc1ccc([C@H](O)CN2CCC3(CCC3)S(=O)(=O)CC2)cc1 839657135 GAKDFZNVKBSJBF-MRXNPFEDSA-N 323.458 2.072 0 50 DEAA Cc1cc(C)n(-c2cccc(-c3nc(N4CCOCC4)n[nH]3)c2)n1 2100556381 LMKOCCHWQCNKQR-UHFFFAOYSA-N 324.388 2.111 0 50 DEAA Cn1[nH]c(=NC(=O)NCCc2ccc(C3CC3)cc2)cc1F 2325797833 WUVCYMQGPQLAOG-UHFFFAOYSA-N 302.353 2.223 0 50 DEAA Cn1cc(C2CCN(C(=O)CS[C@@H]3CCCCO3)CC2)cn1 2325804388 JRGHQIBAUMISIM-MRXNPFEDSA-N 323.462 2.386 0 50 DEAA O=C(OCn1nnc2ccccc2c1=O)c1cccc(Cl)c1 236470 NCFAIXJHSVMMMU-UHFFFAOYSA-N 315.716 2.259 0 50 DEAA CON1C(=O)CN(C(C)=O)[C@H]1c1ccc(Cl)cc1Cl 257953 WPERESUGKHUSSX-GFCCVEGCSA-N 303.145 2.244 0 50 DEAA Cc1ccc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1 307078 WTWALLXZYGRDLB-UHFFFAOYSA-N 324.446 2.020 0 50 DEAA CCOc1ccc(C)cc1S(=O)(=O)n1nnc2ccccc21 528098 CLEMMGWOZKXUQW-UHFFFAOYSA-N 317.370 2.375 0 50 DEAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccnc1 1054453 VZNLIBBSIJPQQA-UHFFFAOYSA-N 316.313 2.138 0 50 DEAA Cc1cc(-c2ccccc2)nc(NC(=O)c2ccn(C)c(=O)c2)n1 2356145569 QKPRGOPNRWWZDU-UHFFFAOYSA-N 320.352 2.403 0 50 DEAA COc1ccc2c(C)c(CC(=O)N3CCCC3)c(=O)oc2c1 4540636 UDUVROIOQKVJFG-UHFFFAOYSA-N 301.342 2.275 0 50 DEAA Cc1nc([C@H](C)[S@@](=O)c2ccc3c(c2)OCCCO3)n[nH]1 414243064 QOPDSHBPCRBTQB-JLTPVHFHSA-N 307.375 2.143 0 50 DEAA O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1ccccc1 8016795 OCDVBEXRDURCEU-UHFFFAOYSA-N 315.398 2.380 0 50 DEAA CNC[C@@H]1CCN(C(=O)CCN2c3ccccc3CC[C@H]2C)C1 246742103 GZHIHHYEUKXUPC-CVEARBPZSA-N 315.461 2.286 0 50 DEAA O=C([C@@H]1COc2ccccc2O1)N1CCCC[C@H]1c1cn[nH]c1 113898338 UGNLXWMANBHHJQ-BBRMVZONSA-N 313.357 2.303 0 50 DEAA CC[C@@H](CO)N(Cc1ccco1)C(=O)c1cccnc1NC 55370970 POYVVDDFERIHCM-LBPRGKRZSA-N 303.362 2.130 0 50 DEAA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 248101964 FAYXMHNIRYKKKP-MWDXBVQZSA-N 324.465 2.046 0 50 DEAA COCc1ccc(CN2CCC[C@H](N3CCC(CO)CC3)C2)o1 23359475 FJHRLMHMOUGONO-INIZCTEOSA-N 322.449 2.095 0 50 DEAA CCn1cc(C2=NO[C@H](C(=O)NC3CCCCC3)C2)c(C)n1 6804909 ZDHUKSQQDZWDLV-HNNXBMFYSA-N 304.394 2.153 0 50 DEAA CCCn1cnnc1CN(C)C(=O)c1nc2c(s1)CCCC2 67460338 NBWFKQCSKMZNTF-UHFFFAOYSA-N 319.434 2.296 0 50 DEAA CCC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@@H]1c1ccc(OC)cc1 20386072 VLFNEQHOBNSSAI-ROUUACIJSA-N 313.401 2.439 0 50 DEAA Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCN2CCCC[C@@H]12 229356758 CGZPDVQMKHAYJQ-CVEARBPZSA-N 312.417 2.088 0 50 DEAA CN(C)C[C@@H]1CN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)c2ccccc2O1 252511674 JIHQOKVUHNRGGP-WVZRYYJFSA-N 300.402 2.388 0 50 DEAA O=C(N[C@H](CO)c1ccccc1)N[C@H]1[C@@H]2c3ccccc3C[C@H]21 230133669 QVSHEMVCMPZLSH-BRSBDYLESA-N 308.381 2.358 0 50 DEAA CCOC(=O)C[C@@H]1CCCCN1C(=O)Cc1c(C)noc1C 77321773 NMIABSYECONTRQ-ZDUSSCGKSA-N 308.378 2.168 0 50 DEAA C[C@@H]1OCC[C@@H]1NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 328627679 GMCACEDVTRHXPC-AXFHLTTASA-N 303.328 2.231 0 50 DEAA CCc1cc(NCCOc2nonc2C)n2nc(C)c(C)c2n1 72427333 UCPAXQOAHAJBOK-UHFFFAOYSA-N 316.365 2.091 0 50 DEAA CCOC(=O)C1CCN(Cc2ccc3nsnc3c2)CC1 8730052 HMRNIHRDRVTEQR-UHFFFAOYSA-N 305.403 2.466 0 50 DEAA CCCc1occc1C(=O)N1CCC(N2CCCNC2=O)CC1 282660144 IABXSRZBJHNYTH-UHFFFAOYSA-N 319.405 2.252 0 50 DEAA N[C@@H]1CC[C@H](C(=O)N(C/C=C/c2ccccc2)CCCO)C1 215993260 DXFFKFBIGJJPRH-ACISRZNPSA-N 302.418 2.038 0 50 DEAA O=C([C@H]1CNCCO1)N(Cc1ccc(F)cc1)C1CCCCC1 215329699 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2356142040 ASXRARBJALRYQT-WNKDZCFJSA-N 303.402 2.211 0 50 DEAA COC1(c2ccccc2)CCN(C(=O)Cc2[nH]cnc2C)CC1 2356143753 VTENQIMKHVHUHT-UHFFFAOYSA-N 313.401 2.425 0 50 DEAA CCCCN1C[C@@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O 8271278 ODMJJVKFERHCRR-JTQLQIEISA-N 310.423 2.249 0 50 DEAA CN(CCNS(=O)(=O)Cc1ccccc1F)c1ccccc1 10113752 OMCIBORMFZKAAJ-UHFFFAOYSA-N 322.405 2.382 0 50 DEAA Cc1c(C)n(Cc2ccccn2)c2ncnc(NCCN(C)C)c12 9422811 UQXVAZWIUAUMCK-UHFFFAOYSA-N 324.432 2.465 0 50 DEAA Cc1cc(C(=O)N2CC[C@H](N)C2)c(NC(=O)C(C)(C)C)s1 55242702 ORKQYPHNEFOKPQ-JTQLQIEISA-N 309.435 2.214 0 50 DEAA Cc1nc(CCN(C)C(=O)c2cc(-c3ccsc3)n[nH]2)no1 20854783 ITFBNRVLGJGFLZ-UHFFFAOYSA-N 317.374 2.144 0 50 DEAA CCCc1noc(CN2CCN(c3ccccc3O)CC2)n1 55166410 GHIMOTQNHJIGCJ-UHFFFAOYSA-N 302.378 2.050 0 50 DEAA Cc1cc(C(=O)Nc2cc(C)c3nc(N)sc3c2)n(C)n1 1506410381 KQKYBVNFFGRTOQ-UHFFFAOYSA-N 301.375 2.481 0 50 DEAA CCOCCCn1ccnc1-c1ccc(S(C)(=O)=O)cc1 67726453 DEIGWMOYWDRHIT-UHFFFAOYSA-N 308.403 2.380 0 50 DEAA Nc1nc2c(s1)CN(C(=O)c1cc3sccc3[nH]1)CC2 67975828 VDOVHWNSCYHCIA-UHFFFAOYSA-N 304.400 2.467 0 50 DEAA Cc1cnc(CN2CCN(c3nc(C)cs3)[C@@H](C)C2)cn1 229370746 WYNSFIXVCRCWIG-ZDUSSCGKSA-N 303.435 2.261 0 50 DEAA CN(CCc1cnn(C)c1)c1nncc(-c2ccccc2F)n1 11661437 KMOPOHDZIUYMCI-UHFFFAOYSA-N 312.352 2.090 0 50 DEAA CC1(C)[C@H](NC(=O)NC[C@H](O)c2ccsc2)[C@@H]2CCCO[C@H]21 230148343 GORVZXTZBBBBDV-IGQOVBAYSA-N 324.446 2.284 0 50 DEAA CC[C@H](C)[C@H](NC(=N)O)C(=O)N1Cc2ccccc2OC[C@H]1C 328586993 HRPQEZBDLQJSSN-ZOWXZIJZSA-N 319.405 2.293 0 50 DEAA Cc1oc2ccccc2c1CN1CCO[C@H](c2nncn2C)C1 328651579 WAKXIHCNDIAWQZ-INIZCTEOSA-N 312.373 2.443 0 50 DEAA CS(=O)(=O)N1C[C@@H]2CCCN2c2ccc(C(F)(F)F)cc21 4050349 YTVZTDLNFGFDJY-JTQLQIEISA-N 320.336 2.454 0 50 DEAA Cc1cc(NC(=O)[C@H]2CCCN(C)C2)ccc1N1CCCC1=O 72117628 KLGJSSRMYXYIAC-AWEZNQCLSA-N 315.417 2.402 0 50 DEAA CCn1nncc1C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 329054489 AOGRKIJRBFSLKO-NSHDSACASA-N 316.327 2.493 0 50 DEAA CCc1cc(NCCC(F)(F)F)nc(N2CCOCC2)n1 32529710 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CC(C)[C@H]1OCCC[C@@H]1C(=O)NCCOc1ncccc1F 408474916 YDXPQCVWDGFVEZ-GXTWGEPZSA-N 310.369 2.167 0 50 DEAA O=C(NCc1ncccn1)[C@@H]1CCN(c2ccccc2Cl)C1 1361886467 OWCFDTZAWFQUNG-GFCCVEGCSA-N 316.792 2.273 0 50 DEAA O=C(Cc1ncc[nH]1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 1466441024 ASVGDUDAYPBBGK-SNVBAGLBSA-N 322.771 2.140 0 50 DEAA CO[C@]1(C)C[C@H](N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)C1(C)C 408069062 BXHLTEACKBNJBE-SFDCQRBFSA-N 303.468 2.135 0 50 DEAA CN(C)[C@@H](CN1C(=O)[C@H]2CCCCN2C1=O)c1cccs1 170592403 RBCAEDUTMPWZPL-NEPJUHHUSA-N 307.419 2.168 0 50 DEAA CCc1cnc(CN2CC[C@H](C(=O)NCc3ccccc3)C2)o1 646055548 LVAAFGRVNZWTCI-HNNXBMFYSA-N 313.401 2.375 0 50 DEAA C[S@@](=O)c1cccc(NC(=O)C2(C(=O)O)CC3(CCC3)C2)c1 595244380 KDFCXZKEUOALLM-JOCHJYFZSA-N 321.398 2.398 0 50 DEAA Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)[C@H]2C)ccc1Cl 656159334 PXBFVIJMKPNYBN-MWLCHTKSSA-N 317.794 2.132 0 50 DEAA C[C@](O)(CN1Cc2ccccc2[C@H](c2ccccc2)C1)C(=O)O 581315660 MOZZBPQJBMUDHY-HKUYNNGSSA-N 311.381 2.470 0 50 DEAA 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COC(=O)c1cccc(CN2CC[C@](C)(O)[C@H](CC(C)C)C2)n1 248290059 SAAZBBIRXMQJFP-KDOFPFPSSA-N 320.433 2.487 0 50 DEAA CCO[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 252679163 IUIUDRNICIZQPO-AXAPSJFSSA-N 324.371 2.332 0 50 DEAA COc1ccccc1N1CC[C@H](Nc2ncc(C)c(C)n2)C1=O 253417096 PGISZZYHRMMBLO-ZDUSSCGKSA-N 312.373 2.319 0 50 DEAA Cn1cc(CN2CC[C@@H](C(F)(F)F)C2(C)C)c(C(=O)O)n1 902530707 OYPYZCKJOVNMTO-SECBINFHSA-N 305.300 2.281 0 50 DEAA CC(C)NC(=O)c1nnc2n1CCCC[C@@H]2C1CCOCC1 952883956 UJKVWBVKRCMRBJ-CYBMUJFWSA-N 306.410 2.110 0 50 DEAA C[C@H](NS(=O)(=O)c1ccccc1)[C@H]1COc2ccccc2O1 270935 BIVMEGGPGLDKAG-BLLLJJGKSA-N 319.382 2.193 0 50 DEAA CC[C@]1(O)CCC[C@H]2CN(Cc3cccc(C(=O)OC)n3)C[C@H]21 2356133805 FIAZTJZDBFJTIR-JOQOYGCGSA-N 318.417 2.241 0 50 DEAA CCc1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)n1 2356138699 FSVGXXHROWCBKA-UHFFFAOYSA-N 304.371 2.300 0 50 DEAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccncc3)C1)CC2 2356147308 QMCPJCVENXTJGY-GOSISDBHSA-N 308.385 2.300 0 50 DEAA 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0 50 DEAA O=c1[nH]cnc2ccc(-n3c(CCCO)nc4ccccc43)cc12 67714192 DVOKNCNEBIWXNW-UHFFFAOYSA-N 320.352 2.187 0 50 DEAA O=C1CCCN1C[C@H]1CCCN(Cc2cccc3c2OCO3)C1 65457598 ACBNVVQQEGEBIK-AWEZNQCLSA-N 316.401 2.250 0 50 DEAA CN(C[C@@H]1CCCCO1)c1cc(N[C@@H]2CCCOC2)ncn1 328622354 BEZDMTGNPZVQAH-KGLIPLIRSA-N 306.410 2.073 0 50 DEAA Cc1noc([C@@H](C)N2CCN(Cc3ccncc3Cl)CC2)n1 173684216 RYEZCTWKHOERQW-LLVKDONJSA-N 321.812 2.305 0 50 DEAA Cc1cccc2nc(C(=O)N3CCC4(CCNCC4)CC3)cn12 71754153 GRLJROBNKXDSBK-UHFFFAOYSA-N 312.417 2.249 0 50 DEAA Cc1nc(C)n(C[C@@H]2CCCCN2[C@H](C)c2nnc(C)o2)n1 257365749 KALJHJGAWPTJOS-YGRLFVJLSA-N 304.398 2.202 0 50 DEAA Cc1cc(F)ccc1-c1nccn1CCN1CCC[C@@H](O)C1 71761127 IHEJALLFKWJXKN-OAHLLOKOSA-N 303.381 2.454 0 50 DEAA CSc1cc(C(=O)N2CCOC[C@@H]2c2cccn2C)ccn1 127065068 LUMVKTFELKCZCR-CQSZACIVSA-N 317.414 2.356 0 50 DEAA Cc1c[nH]c(CNC(=O)c2ccc(CCC(C)(C)O)cc2)n1 72473653 NFCVONLTJPQRFR-UHFFFAOYSA-N 301.390 2.352 0 50 DEAA CN(C)Cc1nc(C(=O)N(C)C2Cc3ccccc3C2)cs1 71388794 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O=C1NC[C@H]2CN(C(=O)c3ccc(-c4cccc(F)c4)cc3)C[C@@H]12 2356166287 RDIDQVSZYDVVPN-DOTOQJQBSA-N 324.355 2.311 0 50 DEAA Cc1cc2c(=O)n(C)c(SCc3cc(O)n[nH]3)nc2s1 4911296 XWBJHKSPXDAGCV-UHFFFAOYSA-N 308.388 2.024 0 50 DEAA CCSc1nc(CC(=O)NCc2snnc2C)cs1 55387120 UVCZLROTNLZUAY-UHFFFAOYSA-N 314.461 2.274 0 50 DEAA O=C1CSC(NC(=O)CSc2nc3ccccc3s2)=N1 9348922 QQDZHUVANGBZFU-UHFFFAOYSA-N 323.424 2.134 0 50 DEAA CCCOC[C@H]1CCN(C(=O)c2ccccc2NCC(=O)O)C1 55308952 GSCRZRVUVXNLPG-ZDUSSCGKSA-N 320.389 2.072 0 50 DEAA Cc1ccn(C)c(=O)c1NC(=O)c1ccnn1-c1ccccc1 348338608 IGFUYIDKXSSECT-UHFFFAOYSA-N 308.341 2.132 0 50 DEAA CCN(Cc1nc(C(C)C)no1)C(=O)CCc1csc(N)n1 1506406913 KLPRNLFHHDHSFY-UHFFFAOYSA-N 323.422 2.213 0 50 DEAA O=C1NCC2(CCN(C(=O)C[C@H]3CCc4ccccc43)CC2)O1 65435760 IGOGADFROHKSKQ-CQSZACIVSA-N 314.385 2.208 0 50 DEAA COc1cc(Br)ccc1C(=O)NCc1ccno1 230723359 CDPNYCQIECEAJK-UHFFFAOYSA-N 311.135 2.376 0 50 DEAA O=S(=O)(N1CCCCC1)N1CCC[C@@H]1c1nccs1 364265519 ULZKBDVLMKFZRZ-LLVKDONJSA-N 301.437 2.011 0 50 DEAA 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CC(C)(C)c1ccc(=NC(=O)N2CC[C@H](OC(F)F)C2)[nH]n1 606442647 VGZORNPFWSILAE-VIFPVBQESA-N 314.336 2.041 0 50 DEAA CCCOc1ccc(/C=C/C(=O)N2CC[C@@H](N)C2)cc1OC 132532171 VIDCFXLTOODVQJ-HZRUHFOJSA-N 304.390 2.057 0 50 DEAA COc1ccc(CNC(=O)N[C@@H](C(C)C)[C@H](CO)C(C)C)nc1 458708378 SRIBGUQYSIMOHH-CVEARBPZSA-N 323.437 2.179 0 50 DEAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc(Oc2ccccc2)o1 286949961 RFRPCGVVZLBKCE-PWSUYJOCSA-N 318.304 2.110 0 50 DEAA O=C([C@@H]1CC=CCC1)N1CCN(c2ccc3[nH]ncc3c2)C(=O)C1 82137249 WBGLNDBYOBEBFI-CYBMUJFWSA-N 324.384 2.094 0 50 DEAA Cc1cc(C(=O)N[C@@H](Cc2ccncc2)C2CC(O)C2)c(C)o1 222280183 OGUWOGKHLOYYGB-DQPZFDDXSA-N 314.385 2.403 0 50 DEAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1csc(C(C)=O)c1)CC2 426430705 KLSLGUWNWUNVFP-CWRNSKLLSA-N 309.431 2.455 0 50 DEAA CC[C@H](NC(=O)c1nn(C)cc1C(=O)O)c1ccc(C)cc1 20614569 SLJRTTDDCYLWRO-ZDUSSCGKSA-N 301.346 2.308 0 50 DEAA Cn1ncc2c(N(Cc3ccco3)C[C@H]3CCCO3)ncnc21 178423250 JYZVNCUOHYZRKR-CYBMUJFWSA-N 313.361 2.142 0 50 DEAA 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CCCn1cc(C(=O)Nc2cccc(-c3nncn3C)c2)cn1 180773440 JWYIFJYZOWVGOF-UHFFFAOYSA-N 310.361 2.341 0 50 DEAA CC1(C)C[C@@]1(C(=O)N1C[C@@H]2CNC[C@@H]2C1)c1ccccc1F 96159901 KGJIRRLTQBECAZ-JCGVRSQUSA-N 302.393 2.171 0 50 DEAA COCCN(Cc1ccccn1)C(=O)Nc1c(C)noc1C 96140277 NURIWUZPNLRKMU-UHFFFAOYSA-N 304.350 2.367 0 50 DEAA O=C1CC[C@]2(CCOC2)CN1CCc1nc2c(s1)CCC2 91986095 AIODJOQNWGQDOT-INIZCTEOSA-N 306.431 2.203 0 50 DEAA Cc1c(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cnn1C(C)(C)C 181364276 HMLSQPVZGPGCNV-ZDUSSCGKSA-N 316.409 2.432 0 50 DEAA O[C@H]1C[C@@H]([C@H](Cc2ccncc2)NC2CSCCSC2)C1 244874534 XCYLDXSQSUTCTN-IMJJTQAJSA-N 324.515 2.202 0 50 DEAA COC[C@@H](c1ccccn1)N(C)CC(=O)NCc1ccccc1 244866583 VYPUHIQFUMAWQH-KRWDZBQOSA-N 313.401 2.017 0 50 DEAA Cc1nc(C)c2c(n1)O[C@@H](CN(C)Cc1c(C)noc1C)C2 243902058 BFMYXVQVMXWKQC-CYBMUJFWSA-N 302.378 2.134 0 50 DEAA C[C@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1C2 245239696 LTAOCZHNULTUGQ-DEDCOGGESA-N 303.402 2.450 0 50 DEAA 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1875270275 PINUVVXVZAMKHI-GFCCVEGCSA-N 303.406 2.401 0 50 DEAA Cc1ccc(C)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)n1 1875284083 KRZCFRIRTCUABD-QAPCUYQASA-N 323.396 2.448 0 50 DEAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC4(CCOC4)CC3)n[nH]c21 1875298275 VPAOXQZIDIAXQT-NEPJUHHUSA-N 319.405 2.075 0 50 DEAA C[C@@]1(c2ccccc2)C[C@H]1C(=O)NCC(=O)Nc1cccnc1 1875317476 YJNSHKWYNMXFDT-YJBOKZPZSA-N 309.369 2.114 0 50 DEAA COCCN(Cc1sccc1C)C(=O)c1c[nH]c(C)cc1=O 952967867 CHMBLSYHFZYIEN-UHFFFAOYSA-N 320.414 2.342 0 50 DEAA Cc1cc(C)n(CCN2CCC[C@H](c3nnc(C)o3)[C@@H]2C)n1 886077625 AOMOKSLYZAQOGB-ZFWWWQNUSA-N 303.410 2.459 0 50 DEAA Cc1cc(C(=O)N2CCC[C@H](c3nnc(C)o3)[C@@H]2C)cc(O)n1 886084739 DLVLVUORFKYYEL-GWCFXTLKSA-N 316.361 2.195 0 50 DEAA COCc1cccc(C(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)c1 888077656 NWKBBVDWHFHENM-HUUCEWRRSA-N 315.373 2.158 0 50 DEAA O=C(OCC1CCOCC1)c1cc(-c2ccccc2O)[nH]n1 888097564 RRDVZNUMPCUARD-UHFFFAOYSA-N 302.330 2.366 0 50 DEAA CO[C@@H]1C[C@@H](COc2cccnc2)N(c2ccc(F)cn2)C1 1775957041 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314.393 2.380 0 50 DEAA Cc1cc(=O)c(COC(=O)COc2ccc3ccccc3c2)n[nH]1 170609327 UOODIEGDVFMOOR-UHFFFAOYSA-N 324.336 2.354 0 50 DEAA O=C(O)c1ccc(C(=O)N2CCO[C@H](c3ccsc3)C2)nc1 191137622 KUQKNVZQZYEIRK-ZDUSSCGKSA-N 318.354 2.055 0 50 DEAA COCC[C@@H]1CCCCN(C(=O)[C@H]2CCc3ncncc3C2)C1 648358329 UTAGEAVRVPSHLM-GJZGRUSLSA-N 317.433 2.247 0 50 DEAA O[C@@]1(c2cnn[nH]2)CCN(Cc2ccc(Cl)c(Cl)c2)C1 794016643 QTNMXJORKDUHKH-ZDUSSCGKSA-N 313.188 2.205 0 50 DEAA CC(=O)N[C@@H](C(=O)Nc1nnc(SC(C)C)s1)C(C)C 1506415537 YTXLNLQOJJKLNV-SECBINFHSA-N 316.452 2.138 0 50 DEAA Oc1n[nH]c(CNCc2ccc(OCCc3ccccc3)cc2)n1 1506419358 AXRKRLCGOKWPJE-UHFFFAOYSA-N 324.384 2.422 0 50 DEAA CN(C)c1nc(NCc2nncn2C2CCCCC2)ncc1F 1529114987 WVKJZXVWFLXIKJ-UHFFFAOYSA-N 319.388 2.391 0 50 DEAA CCc1nn(C)c(NC(=O)c2cc(C)n3nc(C)cc3n2)c1C 1529158838 NXJFUAWCYMWPPE-UHFFFAOYSA-N 312.377 2.203 0 50 DEAA N[C@H]1CC12CCC(NC(=O)N1CCC3(CC1)CC3(F)F)CC2 1615591508 YQTMTGKESMOVNA-LXVYMNJGSA-N 313.392 2.477 0 50 DEAA 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320.422 2.260 0 50 DEAA O=C(NS(=O)(=O)CC1CCC1)C(F)(F)Cc1ccccc1 796789302 RRGUKOGOVSMAPM-UHFFFAOYSA-N 317.357 2.111 0 50 DEAA CN(C)c1nccnc1NC1CCN(C(=O)C2CCCC2)CC1 1704302538 OREJRNACVFGWOA-UHFFFAOYSA-N 317.437 2.136 0 50 DEAA Cc1cnn(-c2cccc(N3CCC[C@H](CC(=O)O)C3)n2)c1 1614994246 YUZPNVITODSXEQ-CYBMUJFWSA-N 300.362 2.267 0 50 DEAA Cc1cc(=NC(=O)N[C@H](c2cnn(C)c2)C(C)C)cc(C)[nH]1 1615002334 VKNFXIQRDCCNTF-HNNXBMFYSA-N 301.394 2.373 0 50 DEAA C[C@@H]1CN(Cc2nc3ccccc3s2)C[C@@]2(CCNC2)O1 1616040733 VEIZRTSLXAFELL-WBMJQRKESA-N 303.431 2.249 0 50 DEAA COC1(OC)CCOC[C@H]1CCNCc1c(F)cccc1F 1616038919 OOUYFEKJEBJQHM-GFCCVEGCSA-N 315.360 2.470 0 50 DEAA CN(Cc1ccc(Br)c(F)c1)C(=O)C(C)(C)O 390835026 BASIBYHUAYGZQS-UHFFFAOYSA-N 304.159 2.318 0 50 DEAA O=C(O)c1ccccc1[S@](=O)[C@H](C(=O)O)c1ccccc1 5378202 WYNAJJHJBCTMRU-YEJXKQKISA-N 304.323 2.318 0 50 DEAA CCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C 12274299 CRZJCZFYAOCLFZ-UHFFFAOYSA-N 323.194 2.478 0 50 DEAA COc1ccc(CCN2C[C@H](NC3CCCC3)CC2=O)cc1 12713148 VNILENUFZWZPNT-MRXNPFEDSA-N 302.418 2.371 0 50 DEAA CNS(=O)(=O)c1ccc(NC(=O)c2cc(C)oc2C)cc1 15810622 WQDFGQVWDBIUEA-UHFFFAOYSA-N 308.359 2.057 0 50 DEAA CCn1cc(C(=O)NC2CCN(c3ccccc3F)CC2)cn1 19742718 BYWCSNZIPPKVQD-UHFFFAOYSA-N 316.380 2.441 0 50 DEAA COc1ccc(CN2CCN(C(C)C)C[C@@H]2CCO)cc1C 19792911 AJHSBYVYXWSFTC-KRWDZBQOSA-N 306.450 2.281 0 50 DEAA CO[C@@H]1C[C@@H](CO)N(Cc2ccn(-c3ccc(Cl)cc3)n2)C1 344707698 JOAPIDNUKCJAIA-JKSUJKDBSA-N 321.808 2.107 0 50 DEAA COc1ncc(Cl)c(N2CCC[C@H]2Cn2ccnc2C)n1 225597908 NPTYRHCRSKYVJB-NSHDSACASA-N 307.785 2.313 0 50 DEAA Cc1cccc(CNC(=O)NCc2cc[nH]n2)c1Br 225531560 WMQNTVOEOGWXCA-UHFFFAOYSA-N 323.194 2.480 0 50 DEAA Cc1ccc(NC(=O)N2CCCN(C(=O)C3CC3)CC2)c(C)n1 122176741 QREIRFSFGYCYLD-UHFFFAOYSA-N 316.405 2.175 0 50 DEAA CCOc1ccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cn1 236960086 NWUNSLHTLBUMDZ-XBFCOCLRSA-N 318.373 2.338 0 50 DEAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NC/C=C/c1cccnc1 496735246 GIWODFBUTIXQPX-HZRUHFOJSA-N 317.389 2.220 0 50 DEAA COCc1ccc(-c2cnc(N3CC[C@@H](O)C3)nc2C)cc1F 1650146227 JRNQKYXAXXPWFV-CQSZACIVSA-N 317.364 2.309 0 50 DEAA O=C(O)Cc1ccccc1CN1CCOC[C@H]1C[C@H]1CCCO1 903943770 FHDXFGQVXHVUKP-IAGOWNOFSA-N 319.401 2.084 0 50 DEAA CN[C@H]1CCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)C1 911657712 YAHXAVNVEGYBTP-QMMMGPOBSA-N 307.703 2.188 0 50 DEAA CC[C@H]1CCc2nc(O)c(C(=O)NC3CCC(N)CC3)cc2C1 911727331 KAORLUDKZNVCCF-XGNXJENSSA-N 317.433 2.302 0 50 DEAA CN1CCC(CCO)(NC(=O)c2ccsc2C(F)F)CC1 935270253 TVJONOYGFJFCTF-UHFFFAOYSA-N 318.389 2.262 0 50 DEAA CC(=O)N1CC[C@@H]2CN(Cc3c(C)nsc3C)C[C@@H]2CC1 946418720 HYXDJPXBJWXXQE-GASCZTMLSA-N 307.463 2.450 0 50 DEAA COC(=O)c1ccnc(NC(=O)c2ccc3c(c2)ncn3C)c1 338045204 JTIYIWLTBYCDOF-UHFFFAOYSA-N 310.313 2.007 0 50 DEAA Oc1cccc(OCc2cn(Cc3ncoc3C3CC3)nn2)c1 2325787165 GPMVSODOBIKCIA-UHFFFAOYSA-N 312.329 2.476 0 50 DEAA O=C(NCCNc1ccc2ccccc2n1)[C@H]1C[C@H]2CC[C@H]1O2 110636424 GAUFTZFHKVCNGU-IJEWVQPXSA-N 311.385 2.330 0 50 DEAA COC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1 47238 AORWTQIJGXDDSA-UHFFFAOYSA-N 315.325 2.499 0 50 DEAA biogenic COc1ccc(CCNC(=O)C(=O)Nc2ccc(C)cc2)cc1 2860352 NYSPDJYXPWFTNR-UHFFFAOYSA-N 312.369 2.301 0 50 DEAA biogenic O=C(/C=C/c1ccccc1)N1CCc2nc(C3CC3)nn2CC1 2356166907 OFIWGIWMLBNTCM-RMKNXTFCSA-N 308.385 2.254 0 50 DEAA CC(=O)NCCC(=O)N1CCC[C@@H](COc2ccc(C)cc2)C1 55074195 XQHPZFLNORWCGF-MRXNPFEDSA-N 318.417 2.139 0 50 DEAA CN1CCC[C@@H](CNC(=O)c2cnns2)[C@H]1c1cccs1 247203578 BXXAXXMMXFJJJC-GWCFXTLKSA-N 322.459 2.413 0 50 DEAA CCCNC(=O)[C@@H](C)N1CCc2cc(OC)c(OC)cc2CC1 138737301 IPSWKQHWTWSVHY-CYBMUJFWSA-N 320.433 2.019 0 50 DEAA C[C@H](CNc1nccc(C(F)(F)F)n1)N1CCOC[C@H]1C 248024206 VNIRPRSIKQGGNG-NXEZZACHSA-N 304.316 2.017 0 50 DEAA Cc1cnccc1C(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 67490057 GJVWPYUVQQOXKQ-INIZCTEOSA-N 324.428 2.427 0 50 DEAA CC(=O)CCN(C)C(=O)c1ccc(-c2nnc(S)o2)cc1 135177812 QZOUGDKLEIBYFB-UHFFFAOYSA-N 305.359 2.076 0 50 DEAA CC[C@@H](NC(=O)c1ccc(Br)c(C)c1)C(=O)O 137443225 QMQACQAWJKWFOU-SNVBAGLBSA-N 300.152 2.351 0 50 DEAA Cc1ccc(OCCN2CCOCC2)c(Br)c1 20077771 ALGNKRWHTKTOBB-UHFFFAOYSA-N 300.196 2.469 0 50 DEAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2c(O)cccc2O)C1 67946249 FOXHWNWVFXBKPL-GOSISDBHSA-N 313.353 2.140 0 50 DEAA CC(C)Cn1c(CN2CCC(=O)NC[C@H]2C)nc2ccccc21 65526809 XMQHEBKVIRRNGG-CQSZACIVSA-N 314.433 2.403 0 50 DEAA Cc1ccc(C)c(NC(=O)N2CC[C@@H](CN3CCOCC3)C2)c1 119648242 JYCDKUASINXAJA-INIZCTEOSA-N 317.433 2.489 0 50 DEAA CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1nc2ccccc2[nH]1 252485822 ATVGIRGKQLBYCX-OXIWPEFWSA-N 315.373 2.487 0 50 DEAA COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cccnc1 252488483 ISWISAWGDFAYRV-CZUORRHYSA-N 312.369 2.232 0 50 DEAA C[C@H](Oc1cccc(-c2ccc(C(=O)N(C)C)cc2)c1)C(N)=O 67786536 KKSYZFPZEFACMZ-LBPRGKRZSA-N 312.369 2.308 0 50 DEAA CN1CCC2(CCN(C(=O)CSc3ccncc3)CC2)C1 65404949 GOSLZCZBZIDJQL-UHFFFAOYSA-N 305.447 2.118 0 50 DEAA Cc1cccc(NC(=O)[C@H]2CCCN(Cc3csnn3)C2)n1 122006643 WGPFWALIPIVDOI-LBPRGKRZSA-N 317.418 2.092 0 50 DEAA CCOC(=O)[C@@H]1CCCN(c2nncc(-c3ccc(C)o3)n2)C1 11933941 RPHBUQUCPMFKQF-GFCCVEGCSA-N 316.361 2.220 0 50 DEAA CCO[C@H]1C[C@H](O)C12CCN(c1cncc(OC(C)C)n1)CC2 125384632 HINPZSJHQGMWCS-KBPBESRZSA-N 321.421 2.020 0 50 DEAA CN(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CC1 72123982 OULMFEASNCURPL-OAHLLOKOSA-N 313.405 2.028 0 50 DEAA CCn1nc(C(C)C)cc1C(=O)N1CCC(F)(F)[C@H](CO)C1 330922011 QXPMIISRLSDTIA-NSHDSACASA-N 315.364 2.116 0 50 DEAA Cc1[nH]nc(C(C)C)c1C(=O)N1C[C@@H](C)OC2(CCOCC2)C1 365549800 FJOAISQDJDZSEG-GFCCVEGCSA-N 321.421 2.252 0 50 DEAA Cc1cc(=O)c(C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)nn1-c1ccccc1 174058654 YZXZETJDIGTSGW-GASCZTMLSA-N 323.396 2.269 0 50 DEAA Cc1nc2ccnn2cc1C(=O)N1CCC[C@H]1[C@H]1CCCC1=O 333711940 QADTVUGMIMTJOY-OCCSQVGLSA-N 312.373 2.012 0 50 DEAA Cc1ccc([C@@H]2CN(C(=O)c3cccnc3S)CCO2)o1 127408159 NHYILRCISVGJNR-ZDUSSCGKSA-N 304.371 2.485 0 50 DEAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(Oc3ccccc3)o2)C1 284641670 UNXLOUFOTVQQRG-GJZGRUSLSA-N 316.357 2.147 0 50 DEAA CC(=O)C1(c2ccccc2)CCN(C(=O)c2cncn2C)CC1 72431878 KDPFODXOXHHSFL-UHFFFAOYSA-N 311.385 2.183 0 50 DEAA CC(C)n1cc(C(=O)N[C@@H](C)c2cn3ncsc3n2)cn1 77472131 BGMPBRRCTRKVQO-VIFPVBQESA-N 304.379 2.059 0 50 DEAA CCCO[C@@H]1CCCN(C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)C1 220227107 WHQVWKLSMKKFGQ-GFCCVEGCSA-N 321.421 2.099 0 50 DEAA O=S(=O)(CC[C@H]1CCCO1)N1CCCc2ccc(F)cc21 177523728 SBFFJZHOMAEQRJ-CQSZACIVSA-N 313.394 2.477 0 50 DEAA Cc1nc(C)c(C(=O)N2CCCC[C@H]2CCC(=O)O)nc1C 263462239 VWMDPYBRCLDTPT-ZDUSSCGKSA-N 305.378 2.261 0 50 DEAA O=C(c1cccc(-c2ccccc2F)c1)N1CCOC[C@@H]1CO 223141315 KUKNISFNAKJXRB-HNNXBMFYSA-N 315.344 2.326 0 50 DEAA Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H](n3cncn3)C2)o1 179465053 UZGDFTHEZKUUEB-CQSZACIVSA-N 312.377 2.407 0 50 DEAA Cc1nccn1CCNC(=O)N1Cc2ccccc2O[C@H](C)C1 291988789 XTOWEYSMRQRQKR-CYBMUJFWSA-N 314.389 2.184 0 50 DEAA Cn1cc(C(=O)N[C@H]2COC(C)(C)C2)c(-c2cccs2)n1 617051158 FJQBQGYGZWNSTN-SNVBAGLBSA-N 305.403 2.446 0 50 DEAA COc1ccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)o1 82091283 ASGBOZOJPMHLAA-UHFFFAOYSA-N 314.341 2.086 0 50 DEAA CC(C)[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)O 236638203 DYHAROWRQFPDDT-HZPDHXFCSA-N 318.417 2.124 0 50 DEAA O=C(Nc1cc(C(F)(F)F)ccn1)N1CCC[C@H](O)CC1 296479023 ACVQBDRCHVYRBJ-JTQLQIEISA-N 303.284 2.479 0 50 DEAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2cc(C)c(C)[nH]c2=O)C1 91694325 CGIHXDKMLYJEND-KRWDZBQOSA-N 320.389 2.099 0 50 DEAA CCN1C[C@@H](C(=O)N(C)Cc2cccc(SC)c2)CC1=O 91494671 JUTCPHYDPGVHMY-ZDUSSCGKSA-N 306.431 2.235 0 50 DEAA c1ccc2c(c1)C[C@H](CN1CCN(c3cnccn3)CC1)CCO2 95496663 BCYOLTWXVKBDTA-MRXNPFEDSA-N 324.428 2.240 0 50 DEAA Cc1c(F)cccc1CN1C[C@H](CO)[C@H](CN2CCCC2)C1 92001801 ASVQZXKAGORHCU-IAGOWNOFSA-N 306.425 2.270 0 50 DEAA COc1ccc(CCc2nc([C@H]3CCOC3)no2)cc1OC 96141355 FDBPRSAPQXZBRI-LBPRGKRZSA-N 304.346 2.376 0 50 DEAA CC[C@H](NC(=O)C1(c2ccc(OC)cc2)CC1)[C@H]1C[C@H](O)C1 244678984 INLAQNAPFJOZPT-NOLJZWGESA-N 303.402 2.393 0 50 DEAA CCc1nnc(NC(=O)CCN(C)Cc2c(C)noc2C)s1 244884182 YGXLBKLMCSHBPT-UHFFFAOYSA-N 323.422 2.166 0 50 DEAA Cc1oc2c(c1C(=O)N1CCCC[C@H]1C(=O)O)C(=O)CCC2 299761897 ZSZXAPIGPOMCAL-JTQLQIEISA-N 305.330 2.186 0 50 DEAA Cc1nc(C)c(C(=O)NCc2noc(-c3cccs3)n2)o1 562297899 QNSREYAXLNLJHU-UHFFFAOYSA-N 304.331 2.333 0 50 DEAA Cc1ccc2nc([C@@H](NC(=O)NCCC(=O)O)C(C)C)[nH]c2c1 828000911 MYUSIRZMXJDNSB-AWEZNQCLSA-N 318.377 2.342 0 50 DEAA CCn1c(CNC(=O)N2CCCC[C@@H]2CO)nc2ccccc21 584884338 RTQORBGXIJZUMB-CYBMUJFWSA-N 316.405 2.113 0 50 DEAA CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](O)C2 823033137 RDNGKQYQANWPFH-ZDUSSCGKSA-N 305.422 2.159 0 50 DEAA CCCCc1ncc(CN2CCN(C(=O)CC(C)C)CC2)[nH]1 670467215 DKOGNKBAYTVZDW-UHFFFAOYSA-N 306.454 2.443 0 50 DEAA Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](O)c2cnc[nH]2)o1 866210544 MABHKXOAQNJUIU-RIEGTJTDSA-N 303.362 2.344 0 50 DEAA C=CC(=O)NCC(=O)NC(C)(C)c1nc2ccc(Cl)cc2o1 1875302893 LNMNMEBQYNEXAE-UHFFFAOYSA-N 321.764 2.135 0 50 DEAA CCc1n[nH]c(=NC2CCN(Cc3ccc(F)c(F)c3)CC2)o1 1875275456 WLDKVYHFPKPUDO-UHFFFAOYSA-N 322.359 2.409 0 50 DEAA O=C(CC1=CCCCC1)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 1875402664 JNXKOOLTNJYBKV-BZUAXINKSA-N 303.406 2.029 0 50 DEAA FC(F)(F)c1cc(NCCc2ccns2)n2ncnc2n1 882762539 GPDPNAPPEMQVEB-UHFFFAOYSA-N 314.296 2.254 0 50 DEAA C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCC(C)(C)CC1 407994825 FDSPDSYFZBNZKU-CYBMUJFWSA-N 315.417 2.482 0 50 DEAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H](C)C(F)(F)F 408042676 HTWRQPYTCNHREA-XCBNKYQSSA-N 305.300 2.125 0 50 DEAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(O)cc1F 170068702 SVAZVKRCLSZXDT-VIFPVBQESA-N 305.353 2.243 0 50 DEAA C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)c1ccc(F)c(Cl)c1 170619093 ZNAUJHOPCRLBDI-WDEREUQCSA-N 314.788 2.006 0 50 DEAA CN(CCOc1cccc(Cl)c1)C(=O)c1cnccc1N 187280065 XUNSVSCXMMVMHQ-UHFFFAOYSA-N 305.765 2.468 0 50 DEAA C[C@@H](O)C1CCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)CC1 668896310 TYNDIBAHYNYWKB-KBRIMQKVSA-N 303.402 2.179 0 50 DEAA O=C([C@H]1COCCN1CC1CCC1)N1CCc2ccc(F)cc21 192191040 DJKCTMGZXFGQTJ-QGZVFWFLSA-N 318.392 2.216 0 50 DEAA COC[C@H]1[C@@H](NC(=O)c2ccc(Cl)c(F)c2)[C@H]2CCO[C@H]21 1074544768 MNKGXKCZJVGVKH-XXSPCDMZSA-N 313.756 2.259 0 50 DEAA Cc1nc(N)sc1C(=O)N(C)Cc1ccc2nsnc2c1 1506397450 VGDZNDGUKKYPDG-UHFFFAOYSA-N 319.415 2.311 0 50 DEAA O=C(O)c1ccc(NC(=O)C2CCN(CC(F)F)CC2)cc1 1608899522 CCDSVHNRXNJSAI-UHFFFAOYSA-N 312.316 2.300 0 50 DEAA O=C(NC[C@@H]1C[C@@H]2C=C[C@@H]1C21CC1)c1cnc2ccccn2c1=O 209909130 JBGZAYMGBKYSTR-YDHLFZDLSA-N 321.380 2.027 0 50 DEAA O=C(Nc1cccc(-n2cnnc2)c1)[C@@H]1CSCCS1 1616018341 HAPDAXAWXVKREX-LBPRGKRZSA-N 306.416 2.054 0 50 DEAA CCC[C@H](C)CCCN[C@@H]1C[C@H](C(=O)O)C[C@@H]1n1ccnn1 1616039923 ZLOPMHDTSRMFCG-XQLPTFJDSA-N 308.426 2.488 0 50 DEAA NC[C@@H]1CCN(C(=O)c2c(F)cccc2Br)C1 122419695 KBEJWEVFAUQTKC-QMMMGPOBSA-N 301.159 2.009 0 50 DEAA CN(CCC(=O)O)C(=O)Cc1ccc(F)c(Br)c1 242263396 XYSRMCSFJKIXRW-UHFFFAOYSA-N 318.142 2.064 0 50 DEAA CN1Cc2nnc(-c3cc(C4CC4)[nH]n3)n2-c2ccccc2C1=O 1772817705 VHJGRQXBVNMFSX-UHFFFAOYSA-N 320.356 2.120 0 50 DEAA CSCC(=O)N1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 12386956 SVDBFRDYNRJHDN-LBPRGKRZSA-N 324.421 2.157 0 50 DEAA COCCC(=O)NCc1cccnc1-n1cnc2ccccc21 12434906 RJPZCZBAMCLESB-UHFFFAOYSA-N 310.357 2.073 0 50 DEAA CN(Cc1ccn(C)n1)C(=O)c1cc(-c2ccc(F)cc2)on1 13642226 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Cc1ccc(Nc2cccc(C(=O)N3CCC[C@H]3CN)c2)nn1 237755899 WSGGDJDSBBUNFJ-HNNXBMFYSA-N 311.389 2.092 0 50 DEAA Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@@H]1C(=O)O 237752089 FOYIJWYPKZTNBP-MRXNPFEDSA-N 312.369 2.470 0 50 DEAA Cc1cc(C)nc(N2CCN(CC(F)(F)F)C[C@H](C)C2)n1 450866429 GDPKTSMFBSBNFU-JTQLQIEISA-N 302.344 2.414 0 50 DEAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)OC[C@@H]1CCCO1 157206519 QBPQFKZYCYIIBU-KKUMJFAQSA-N 321.421 2.274 0 50 DEAA Cc1cnc(C)c(N2CCN(Cc3c(C)noc3C)CC2)n1 215499262 GFNKJZOQPUQTQV-UHFFFAOYSA-N 301.394 2.020 0 50 DEAA Cc1ccc(F)c(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1 241644579 PRWPDPCCUAHUPP-CYBMUJFWSA-N 316.380 2.266 0 50 DEAA CN(Cc1nc(N)c2ccccc2n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 241774146 RNKQLENKNODXPN-DAXOMENPSA-N 312.417 2.457 0 50 DEAA C[C@@H]1CCCN1c1ncnc2c1CCN(C(=O)c1cccnc1)C2 71753511 JKPMCCOLRLENKT-CYBMUJFWSA-N 323.400 2.059 0 50 DEAA CC(C)CN1CCN(C(=O)c2cc(Cl)ccc2O)[C@@H](C)C1=O 77337300 DWXJKILUSOGPAA-NSHDSACASA-N 324.808 2.375 0 50 DEAA CC1(C)CN(c2cc(N3CCSCC3)ncn2)CC(C)(C)O1 225490038 ZOZCQFMYLYOBET-UHFFFAOYSA-N 322.478 2.424 0 50 DEAA O=C(Cn1nc(C2CC2)ccc1=O)N[C@@H](c1ccccc1)C1CC1 289499593 ZXKIPXUSBFWTQL-IBGZPJMESA-N 323.396 2.388 0 50 DEAA Cc1cc([C@H]2CCCN2CC(=O)NCc2cccs2)on1 47273739 DNXNKNOOXLCAAW-CYBMUJFWSA-N 305.403 2.498 0 50 DEAA CCCc1nc(CNC(=O)Cn2nc3ccccc3n2)cs1 223656238 BPXGKFZOHFLORL-UHFFFAOYSA-N 315.402 2.157 0 50 DEAA O=C(c1ccc2nccn2c1)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 178571085 QVVPUSNSCLWEIA-RHSMWYFYSA-N 324.428 2.423 0 50 DEAA Cc1nccnc1N1CCC[C@@]2(CCC(=O)N(C(C)C)C2)C1 82161273 UGOGOEOKGPOUCZ-QGZVFWFLSA-N 302.422 2.402 0 50 DEAA O=C(O)c1ccc(/C=C/C(=O)N2CC[C@@]3(CCOC3)C2)cc1 237951631 NBIWTTYHAADCPU-ZNNBYXKUSA-N 301.342 2.037 0 50 DEAA CC(C)N1CCC(C(=O)N(C)CC(=O)c2ccc(O)cc2)CC1 95505742 ROUZCRIHWHAQJD-UHFFFAOYSA-N 318.417 2.154 0 50 DEAA COc1ccc([C@H]2CC(=O)c3cn[nH]c3C2)c(OC)c1OC 95117702 MOLBRHLCCHMUKD-SECBINFHSA-N 302.330 2.348 0 50 DEAA COc1ccc(-c2cn(CCSc3cnn[nH]3)nn2)c(F)c1 91586334 OQVCCIJXZMRHQA-UHFFFAOYSA-N 320.353 2.003 0 50 DEAA CCn1nc(C)c(CCN2C[C@@]3(CCOC3)CCC2=O)c1C 92061650 QCZIKTHGPCQXIL-KRWDZBQOSA-N 305.422 2.091 0 50 DEAA Cc1cccc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)c1 95497711 AMGBMAMASWCQSC-MRXNPFEDSA-N 300.402 2.323 0 50 DEAA CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCN(C)C(=O)C2)C12CCCC2 245316709 KGBBINVHKSKTCP-RRFJBIMHSA-N 322.449 2.051 0 50 DEAA CNC(=O)[C@@H]1CCCCN1Cc1cncn1Cc1ccccc1 244734698 NKFURTMBPVZVKN-KRWDZBQOSA-N 312.417 2.032 0 50 DEAA Cn1cnc(NC(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)n1 296610660 BJZNASCZNSCBLW-GFCCVEGCSA-N 321.768 2.154 0 50 DEAA CN(Cc1ccccc1C(F)(F)F)C(=O)[C@]1(F)CCNC1 299739908 SPZNJTXTEWQULK-ZDUSSCGKSA-N 304.287 2.365 0 50 DEAA COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c(OC)c1 299740808 BVVJFPSQFCGOKU-LBPRGKRZSA-N 321.373 2.421 0 50 DEAA CCNC(=O)[C@@H]1CCN(C(=O)NCc2cccc(Cl)c2C)C1 534637037 QLDCMAQMEVYZGD-CYBMUJFWSA-N 323.824 2.316 0 50 DEAA CO[C@H]1COC[C@@H]1NC(=O)Cc1c(Cl)cccc1Cl 290393957 KWXRVISRJUTLKS-RYUDHWBXSA-N 304.173 2.066 0 50 DEAA CC(C)(C)c1noc(CNC(=O)[C@H](O)c2cccc(Cl)c2)n1 299755201 BDMHHYDVAPZTJK-GFCCVEGCSA-N 323.780 2.370 0 50 DEAA CN(Cc1cc(Cl)ccc1OCC(=O)O)C[C@@H]1CCOC1 670440271 WKBPJPKOPGQKRF-NSHDSACASA-N 313.781 2.272 0 50 DEAA CNC(=O)C[C@@H]1CCN(Cc2cnn(-c3ccccc3C)c2)C1 670466077 ZMXIWPURWNGNHX-HNNXBMFYSA-N 312.417 2.139 0 50 DEAA CCc1nnc([C@H]2CCCN(C(=O)c3cnnc(C)c3)[C@H]2C)o1 952852625 ILZHJXRBDTUMBW-AAEUAGOBSA-N 315.377 2.139 0 50 DEAA O=C1COc2cccc(C(=O)OCc3cccn4nccc34)c2N1 1875320636 IMHFIFRBOPGTBI-UHFFFAOYSA-N 323.308 2.022 0 50 DEAA C[C@@H](COCc1ccccc1)Cn1cc(C[C@@H]2CCNC2)nn1 887461104 OXPRWXATWCOGHJ-WBVHZDCISA-N 314.433 2.283 0 50 DEAA Cc1c[nH]cc1C(=O)NC[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C 886079984 OOFYXWBJEVUOGA-CJNGLKHVSA-N 316.405 2.181 0 50 DEAA O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CC(c2cc(CO)on2)C1 886086732 ZKHNUMFWHFVGFS-LSDHHAIUSA-N 316.332 2.036 0 50 DEAA Cc1ccn(C2CCN(C(=O)[C@@H]3C[C@@H]4CCCCN4C3)CC2)n1 1776002596 JNUDVRHRPDQHKS-WBVHZDCISA-N 316.449 2.229 0 50 DEAA Cc1nnc(NCC2(n3cc(Br)cn3)CC2)nc1C 896160297 RYLFGIBMULAXNJ-UHFFFAOYSA-N 323.198 2.049 0 50 DEAA Cc1nc(C(=O)NCCc2c[nH]nc2C(F)(F)F)c(C)o1 585088204 OVMTZXPHOKNIQS-UHFFFAOYSA-N 302.256 2.006 0 50 DEAA Cc1nc(C(=O)NC2(c3nnc4n3CCCC4)CCC2)c(C)o1 585087616 VANCJIVGBAANRK-UHFFFAOYSA-N 315.377 2.028 0 50 DEAA O=C(Nc1cnc2c(c1)COCC2)[C@@H]1Cc2cc(F)ccc2O1 679078166 DWKNRIXADBVLAT-INIZCTEOSA-N 314.316 2.236 0 50 DEAA CC[C@H](Nc1cccnc1Cl)C(=O)NCc1cnn(C)c1C 585131632 BEXPMQNBZHSOCW-LBPRGKRZSA-N 321.812 2.284 0 50 DEAA C[C@@H]1CCNC(=O)[C@H]1Nc1ncnc2sc3c(c12)CCC3 193516430 KRPZJKHAQNBNKP-PELKAZGASA-N 302.403 2.117 0 50 DEAA CCc1noc(CC)c1CNC(=O)c1ccn(CC(F)F)n1 194295366 FDFYQSUSYUWWPQ-UHFFFAOYSA-N 312.320 2.191 0 50 DEAA CNc1ncccc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1529191153 SZPSNCIJWQNYDQ-NMWPEEMBSA-N 316.449 2.314 0 50 DEAA Cc1cccc(Cl)c1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529151890 GTBYBLVVUDHRKX-CXAGYDPISA-N 317.820 2.474 0 50 DEAA O=C(O)CN1CCN(CCCc2cccc3ccccc23)CC1 1602062022 DXRVPLUXORXCQZ-UHFFFAOYSA-N 312.413 2.475 0 50 DEAA N[C@@H]1C[C@@H]2C[C@H](C(=O)NC3CCC4(CCOCC4)CC3)C[C@@H]21 1615613823 CENHXXLMHWLZEF-DARAHFNDSA-N 306.450 2.215 0 50 DEAA O=C(CCc1cc(Cl)no1)NCc1cccn2nccc12 1772813806 VJOHDKDSXUYZQZ-UHFFFAOYSA-N 304.737 2.225 0 50 DEAA Cc1sc(-n2nnc(C(=O)O)c2C(C)C)c(C(=O)O)c1C 1775971687 YQJAGCJPFUPWAM-UHFFFAOYSA-N 309.347 2.465 0 50 DEAA CC(C)N1C[C@H](CN2CCN(c3ccccc3)CC2)CCC1=O 1772814365 VGLHMDVIIODNES-KRWDZBQOSA-N 315.461 2.456 0 50 DEAA O=C(Cc1ccsc1)N1CCCN([C@@H]2CCSC2)CC1 1772807501 OFSYGQQKLANRJW-CQSZACIVSA-N 310.488 2.330 0 50 DEAA O=C1CC[C@H](CCNCc2ccccc2F)N1[C@H]1CCOC1 11976313 HPUGQUJAASOELE-CABCVRRESA-N 306.381 2.085 0 50 DEAA COc1cccc(C(=O)NCCC(=O)N2CCC(C)CC2)c1 12866029 LHAHQQPHHFPTBB-UHFFFAOYSA-N 304.390 2.074 0 50 DEAA CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(F)cc1 19771573 KHGZKIMUQLITFB-VQHPVUNQSA-N 306.333 2.044 0 50 DEAA O=C1CCN(C(=O)c2ccc(Cl)cc2)CCN1CC1CC1 200568641 KWQOFUFTHBUTHT-UHFFFAOYSA-N 306.793 2.425 0 50 DEAA Cc1cc(NC(=O)[C@H](C)N(C)Cc2cc(Cl)cn2C)on1 120280600 KODLOISMEIINQZ-JTQLQIEISA-N 310.785 2.434 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@@H]32)C1 630154827 BXBWOYLSRCAGBX-SCLYENHESA-N 305.761 2.159 0 50 DEAA O=C(O)Cc1cccc(NC(=O)c2ncn(-c3ccccc3)n2)c1 431783027 GFDGATFYNQZIQS-UHFFFAOYSA-N 322.324 2.147 0 50 DEAA CC[C@H](NC(=O)CN1CCC[C@H]1C(=O)O)c1ccc(Cl)cc1 237000751 FVLCSHFLZQOMBE-KBPBESRZSA-N 324.808 2.456 0 50 DEAA O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc(F)cc1O 135857106 QKZNEXNNVVDGJV-UHFFFAOYSA-N 316.336 2.265 0 50 DEAA CC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCC(C)C)n1C 364531193 PMOLYBQOFBAWDG-HNNXBMFYSA-N 305.422 2.484 0 50 DEAA C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1cccc2cnccc12 261985690 SFGNBSBZJJAFAG-SWLSCSKDSA-N 319.430 2.125 0 50 DEAA Cc1csc(CC2(O)CCN(C(=O)N(C)C(C)C)CC2)n1 585138155 RWTAZHSIPYJYSG-UHFFFAOYSA-N 311.451 2.281 0 50 DEAA CC(C)Oc1cccnc1C(=O)NCc1ccc(C(=O)O)o1 262780510 NZLHOXCWARNTMN-UHFFFAOYSA-N 304.302 2.090 0 50 DEAA Cn1ncc(CCC(=O)NCC(C)(C)c2ccccc2Cl)n1 823065463 NTKDWWNTSXRJAZ-UHFFFAOYSA-N 320.824 2.495 0 50 DEAA O=C(Cc1cccc(C(F)(F)F)n1)N1CCOc2ccncc21 934249118 HNBKPNXRDRDINZ-UHFFFAOYSA-N 323.274 2.464 0 50 DEAA CNC1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 237098814 OFWRQHNYTDPLGT-UHFFFAOYSA-N 323.245 2.366 0 50 DEAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)c1occc1Br 263256073 UCNNJFPWXRFHRS-HTQZYQBOSA-N 316.151 2.367 0 50 DEAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(Cl)cn2)C1 379176894 FOHGJUZGIGYUPX-PSASIEDQSA-N 307.703 2.229 0 50 DEAA COC[C@@]12COC[C@@H]1CN(C(=O)CCCc1ccc(F)cc1)C2 2100540264 GIZQGHHYPOTRIX-YJBOKZPZSA-N 321.392 2.270 0 50 DEAA CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1ccn3c1CSCC3)C2 2325792835 PETUMEJYQBPZLE-ZSOGYDGISA-N 319.474 2.480 0 50 DEAA CN(Cc1cnn(C)c1)C(=O)CNc1ccc2cnccc2c1 2325859837 MLZMCVBQVPNGLL-UHFFFAOYSA-N 309.373 2.039 0 50 DEAA Nc1nc(Oc2ccccc2F)c(Br)c(=O)[nH]1 300345 PSIMAVDTCDEORA-UHFFFAOYSA-N 300.087 2.046 0 50 DEAA O=C(O)[C@@H]1CCC(=O)N1Cc1ccsc1Br 395955 LUTAUIUJHFZIPL-ZETCQYMHSA-N 304.165 2.086 0 50 DEAA Cc1cc(=O)oc2c(I)c(O)ccc12 449246 QVRPVXDKAYTMOT-UHFFFAOYSA-N 302.067 2.412 0 50 DEAA biogenic COc1cc(NC(=S)N2CCC[C@@H](CO)C2)cc(OC)c1 541917 OCSOSJWUDAYPPR-LLVKDONJSA-N 310.419 2.105 0 50 DEAA Cc1cc(C)cc(NC(=O)C[C@@H]2N[C@H]3CCCC[C@@H]3NC2=O)c1 4223153 FHPVBAPVNSIQMX-JYJNAYRXSA-N 315.417 2.031 0 50 DEAA O=C(NCCCNC(=O)c1ccc(Cl)cc1)c1ccncc1 4487350 NHWXKWKAJWODIF-UHFFFAOYSA-N 317.776 2.285 0 50 DEAA O=C(Cn1nnc(-c2cccs2)n1)NCCC1=CCCCC1 4943233 NFFIZWWYHJZXGO-UHFFFAOYSA-N 317.418 2.408 0 50 DEAA COc1ccc(NC(=O)C[C@@H]2Nc3ccccc3OC2=O)cc1 9668934 OYZLKUYHTITSMU-AWEZNQCLSA-N 312.325 2.424 0 50 DEAA CC[C@@H]1CN(Cc2ccc(OC)c(OC)c2OC)CCN1C 20204609 VIGYCYCEEXAUBN-CQSZACIVSA-N 308.422 2.238 0 50 DEAA CCN1CCN(CCOCCOc2ccc3c(c2)CCC3)CC1 20406535 VOCQSKMECPPGGP-UHFFFAOYSA-N 318.461 2.208 0 50 DEAA CC[C@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)CC[C@@]1(C)O 67489481 HFVIFCZGMICPRP-KPZWWZAWSA-N 315.369 2.416 0 50 DEAA Cc1ccsc1CN1CCC(CNC(=O)c2cnon2)CC1 67655002 KCVRDINXLIRIIQ-UHFFFAOYSA-N 320.418 2.082 0 50 DEAA Cc1nn(C)c(C)c1CCc1nc(-c2cccc(CO)c2)no1 20351246 XJIGYJYZXNMNIU-UHFFFAOYSA-N 312.373 2.364 0 50 DEAA Cc1cc(N2CC[C@@H](n3ccnc3)C2)nc(-c2cccnc2)n1 65466576 PHRATESRMCJBAJ-OAHLLOKOSA-N 306.373 2.495 0 50 DEAA Cc1ccc(N2CCC[C@@H](N[C@H](C)c3ncc(C)o3)C2)nn1 331631494 NPGKJOCJRYSVLY-ZIAGYGMSSA-N 301.394 2.401 0 50 DEAA CCc1nccn1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67842404 RHIJJVDPRRTULY-UHFFFAOYSA-N 313.405 2.075 0 50 DEAA Cc1cccn2c(CC(=O)NCc3ccc4c(c3)OCO4)cnc12 65490154 LAVNWJYGHYUZQJ-UHFFFAOYSA-N 323.352 2.230 0 50 DEAA C[C@H]1CNCCN1C(=O)CCc1ccc(Br)cc1 126322869 KYNHCGKERDLSBH-NSHDSACASA-N 311.223 2.202 0 50 DEAA COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)[C@H]2CC=CCC2)O1 252488144 ILOYDMFCDRLCJV-RMEBNNNOSA-N 307.390 2.053 0 50 DEAA C[C@@H]1CCO[C@@]2(O1)C(=O)N(CN1CCCCC1)c1ccccc12 4727782 YYCVQZOWACJDPU-KDOFPFPSSA-N 316.401 2.455 0 50 DEAA CCNC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC(C)(C)C 5472046 FSNBUJGVCQRPIW-CQSZACIVSA-N 303.406 2.058 0 50 DEAA CC(C)NC(=O)CNc1cc(-c2ccccc2)nc2ccnn12 72458427 FMGMKKBJCPXZRM-UHFFFAOYSA-N 309.373 2.333 0 50 DEAA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2occc2C)C1 330570014 MJBUTZXSPQXYGT-WDEREUQCSA-N 318.295 2.260 0 50 DEAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1n[nH]c(N)c1Cl 219696239 KPVUXCZRWVQAJE-LURJTMIESA-N 311.798 2.218 0 50 DEAA Cc1cc(NC[C@H](O)COC2CCCCC2)n2nc(C)cc2n1 72430120 YMZJWCLBVOHGEI-AWEZNQCLSA-N 318.421 2.468 0 50 DEAA Cc1occc1CN(C)C(=O)[C@H]1CN(C)C(=O)c2ccccc21 365345099 MRYDGSUBCMFHDE-INIZCTEOSA-N 312.369 2.416 0 50 DEAA CCC(CC)(CNC(=O)c1cc(F)cc2[nH]cnc12)C(=O)OC 128010852 YOVUPWAVKZQTDG-UHFFFAOYSA-N 321.352 2.411 0 50 DEAA COc1ccc(/C(C)=C/C(=O)N2CCC(C(=O)O)CC2)cc1 237333305 MIFVWLFFOLVBGN-VAWYXSNFSA-N 303.358 2.422 0 50 DEAA O=C(c1cc2c(F)cccc2[nH]1)N1CCC[C@@H](c2nc[nH]n2)C1 364015951 WJJQLNMGIABTRY-SNVBAGLBSA-N 313.336 2.445 0 50 DEAA O=C(NCc1ccc2c(c1)OCO2)c1ccccc1[C@@H]1CCNC1 72166665 GOFKWXTXUUCZNM-CQSZACIVSA-N 324.380 2.422 0 50 DEAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc(C2CC2)no1 375585845 VJXHHKNPQGGYJZ-ZDUSSCGKSA-N 316.361 2.106 0 50 DEAA CC(C)NC(=O)c1ccc(NC(=O)CCc2ccnn2C)cc1 132286844 FUAFHMWJTNAWNG-UHFFFAOYSA-N 314.389 2.130 0 50 DEAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)NCc1ccc(Cl)cc1 219677336 OGKBAQJXOCYMLU-YJNKXOJESA-N 324.808 2.189 0 50 DEAA CCc1nc2nnc3c(=O)n(-c4cccc(C)c4C)ccc3n2n1 71385178 INIVTFNZEDTHNO-UHFFFAOYSA-N 320.356 2.003 0 50 DEAA CCN(CCCN1CCCC1)C(=O)NCCN(C)C1CCCC1 241911260 UBARUWKCJJNHSV-UHFFFAOYSA-N 324.513 2.378 0 50 DEAA COc1cccc2c1N(S(=O)(=O)C[C@@H](C)OC)CC[C@H]2C 242001122 VDCHCWFNIROYHX-VXGBXAGGSA-N 313.419 2.374 0 50 DEAA Cc1c[nH]cc1C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 456674757 XRTBSQHIXOXDRD-OLZOCXBDSA-N 311.385 2.419 0 50 DEAA CCn1ncc(-c2nn3c(C(F)(F)F)nnc3s2)c1C 20606026 KDEPBQKRGTXVQR-UHFFFAOYSA-N 302.285 2.396 0 50 DEAA Cc1cc(C(=O)N2CCCN(c3ccncc3C)CC2)no1 82148130 HQKPKARTKJRSPY-UHFFFAOYSA-N 300.362 2.039 0 50 DEAA Cc1cc(C(=O)N(C)[C@@H]2CCN(C)C2)c2ccc(F)cc2n1 82121363 UXTSDSULIFVWBD-CYBMUJFWSA-N 301.365 2.458 0 50 DEAA Cn1cc(C(=O)Nc2ccc(-c3nnc[nH]3)cc2)c(C2CC2)n1 292182579 ZJTMJMXMMTYTOG-UHFFFAOYSA-N 308.345 2.335 0 50 DEAA Cc1ncsc1CCCNC(=O)NCC1(O)CCCCC1 426584628 GJTSBLWNFOHUPJ-UHFFFAOYSA-N 311.451 2.379 0 50 DEAA CC[C@H](C)[C@@H](CO)NC(=O)CCc1nnc(-c2ccccc2)o1 230210526 LHDJZLPAKPHKLO-GXTWGEPZSA-N 317.389 2.192 0 50 DEAA CC[C@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1nccs1 95359805 JLRNPUWYWGNGAS-ZDUSSCGKSA-N 321.446 2.359 0 50 DEAA O[C@H]1C[C@@H](c2cc(N3CCCN(C4CCCC4)CC3)ncn2)C1 244701154 KBEJQHQJTCYCKG-FZNQNYSPSA-N 316.449 2.170 0 50 DEAA Cc1cnc([C@@H](C)CNC(=O)c2cccc(C(N)=O)c2)s1 184001768 VANWRWMKEVMTPK-VIFPVBQESA-N 303.387 2.084 0 50 DEAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2csnc2C)cn1 299746449 XLITVPRQLUIRIY-GXTWGEPZSA-N 319.386 2.115 0 50 DEAA COCCOc1ccc(-c2c(C)nn(CC(=O)O)c2C)cc1 534589978 PPEKUOOBVIABQG-UHFFFAOYSA-N 304.346 2.277 0 50 DEAA COC(=O)c1c(C)nc2c(cnn2-c2ccc(F)cc2)c1N 616591657 PQNIKNOQLROMEA-UHFFFAOYSA-N 300.293 2.237 0 50 DEAA O=C(CCCn1cccn1)N1CCCC2(CCNCC2)CC1 299764283 RFZMNTVIOHTBHZ-UHFFFAOYSA-N 304.438 2.046 0 50 DEAA C[C@H]1c2cccn2CCN1C(=O)c1cc(C(F)(F)F)nn1C 573890396 WBQWPJUPAJDLPR-VIFPVBQESA-N 312.295 2.457 0 50 DEAA O=C(NCC1CCN(Cc2cc[nH]n2)CC1)c1cccs1 828187342 KGRBCFKFKBLMMA-UHFFFAOYSA-N 304.419 2.113 0 50 DEAA Cc1noc(C)c1C(=O)Nc1ccc(CC(=O)NC2CC2)cc1 827848708 OLLMUXLSBAFACV-UHFFFAOYSA-N 313.357 2.365 0 50 DEAA CC(C)Cc1nc([C@@H](C)Cn2cncn2)n(CC(F)(F)F)n1 821477586 JXGNZMMGEACHEN-JTQLQIEISA-N 316.331 2.434 0 50 DEAA Cc1cc(S(=O)(=O)Nc2c(C)noc2C)cc(C(=O)O)c1C 268343749 HNZZWXAITGPQNG-UHFFFAOYSA-N 324.358 2.407 0 50 DEAA NC(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)CC1=CCCCC1 685942400 PHUCVUUQSXRBPQ-AWEZNQCLSA-N 316.405 2.453 0 50 DEAA COC(=O)c1nn(C)cc1NC(=O)N1CCCC(C)(C)CC1 1875289247 AWICEZLWCZQBTL-UHFFFAOYSA-N 308.382 2.251 0 50 DEAA CCn1cnc(C(=O)N2CCCC[C@H]2c2cccc(O)c2)n1 1875297320 LFDTXMZQEKKGRX-AWEZNQCLSA-N 300.362 2.371 0 50 DEAA Cc1ccc([C@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2(C)C)cc1 881657226 GAEHTXXUQXOCHB-GXTWGEPZSA-N 303.406 2.146 0 50 DEAA COC(=O)c1cccc(O)c1NS(=O)(=O)C1=CCCCC1 1775987971 JZTXWOOTJKTZQS-UHFFFAOYSA-N 311.359 2.378 0 50 DEAA COc1cc(CN2C[C@@H](C)OCC[C@H]2C)cc2c1OCCO2 1775994207 YKAWPFXYWLXGMM-CHWSQXEVSA-N 307.390 2.466 0 50 DEAA CC(C)Cn1ccnc(N2CCC[C@](CO)(C(C)C)C2)c1=O 1775986236 XDRAKLSPFHTLON-KRWDZBQOSA-N 307.438 2.134 0 50 DEAA COc1cc(NC(=O)N2CCO[C@H](c3ccccc3)C2)ncn1 272788362 AOJDVGJFEPBGRH-ZDUSSCGKSA-N 314.345 2.091 0 50 DEAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccn(Cc2ccncc2)n1 276984483 GAFKSBNFTXHUKZ-LSDHHAIUSA-N 314.389 2.470 0 50 DEAA COC[C@@H]1CN(C(=O)N[C@@H](C)Cc2ccccc2F)C[C@H](C)O1 187421224 XAKKDRJHFSXDAT-YDHLFZDLSA-N 324.396 2.202 0 50 DEAA COc1cccc([C@H](C(=O)O)N2[C@H]3CC[C@H]2[C@@H](C)[C@@H](O)C3)c1 634697807 SEAADCLQTJKSDS-FSQOXLJWSA-N 305.374 2.055 0 50 DEAA Cc1noc(C2CCN(CC3CCC4(CC3)OCCO4)CC2)n1 190197998 CRHCDKBFUMXRBT-UHFFFAOYSA-N 321.421 2.491 0 50 DEAA COC[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2C)CCO1 192040102 MQPZMXWEQFWUPT-KRWDZBQOSA-N 301.390 2.028 0 50 DEAA COC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2CCC[C@@H](C)O2)c1C 598213273 NOYGDYIJZWWGKT-BXKDBHETSA-N 308.378 2.106 0 50 DEAA O=C(N[C@@H]1CCO[C@H](c2cccnc2)C1)N1CCSCC1 657003752 RCLSQLOIUFZYFQ-KGLIPLIRSA-N 307.419 2.060 0 50 DEAA C[C@H](CC(=O)N[C@H](C)c1nnc(O)n1C)Cc1cccc(F)c1 585126539 BLRIGDQOZZDEJS-WDEREUQCSA-N 320.368 2.106 0 50 DEAA COc1nccc2c(NS(=O)(=O)C[C@H]3CCCO3)cccc12 585119169 VDBUWDMAXTZUEH-LLVKDONJSA-N 322.386 2.164 0 50 DEAA Cc1cc(C[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@@H]2O)n[nH]1 1529104850 VAYYMOSLZCGJKK-BEFAXECRSA-N 322.412 2.302 0 50 DEAA Cc1ccc(F)cc1C(=O)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529100077 NFACRBQXDCQYID-NVXWUHKLSA-N 318.392 2.069 0 50 DEAA CSc1ncc(C(=O)O)c(N(C)Cc2ncccc2C)n1 1529172783 OILZGOHTCZFCRG-UHFFFAOYSA-N 304.375 2.237 0 50 DEAA CC(=O)N[C@@H](CC(=O)Nc1nccnc1C)c1cccs1 1615613477 AOPVTSBUGNTKNZ-NSHDSACASA-N 304.375 2.053 0 50 DEAA CCS(=O)(=O)N1C[C@H](C)Oc2cc(Br)ccc21 1616043920 AJBSBEJUWJFDNT-QMMMGPOBSA-N 320.208 2.386 0 50 DEAA Cc1ccn(CC(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)n1 14965031 PRXBSHCFLAWMRN-MRXNPFEDSA-N 318.465 2.495 0 50 DEAA Cn1nc(-c2ccccc2)c2c1CCN(Cc1cncnc1)CC2 1857667400 VGZJAULEFBTLQJ-UHFFFAOYSA-N 319.412 2.478 0 50 DEAA CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ncc(C(C)(C)C)s1 408387338 WYGZOMPBNCVKOE-NSHDSACASA-N 324.450 2.429 0 50 DEAA N=C1Nc2nc3ccccc3n2[C@H](c2ccc3c(c2)OCO3)N1 1408210 OFPUKBLKYVMSFD-CQSZACIVSA-N 307.313 2.262 0 50 DEAA O=C(Cc1c[nH]c2cc(F)ccc12)N1CCC[C@](F)(CO)C1 367745707 HRZCNSWWEXXECK-MRXNPFEDSA-N 308.328 2.173 0 50 DEAA CN(C)C(=O)C1(CNC(=O)c2occ3c2CCC3)CCCC1 585081819 HWIYKQHJZDRJFJ-UHFFFAOYSA-N 304.390 2.147 0 50 DEAA Cn1cccc1-c1cc(C(F)(F)F)nc(NC(N)=S)n1 390825070 TWKOJBXTGXHLQG-UHFFFAOYSA-N 301.297 2.156 0 50 DEAA CS(=O)(=O)C1(c2noc(/C=C/c3cccnc3)n2)CCCC1 904082836 JDBRFQWCPJXHCG-VOTSOKGWSA-N 319.386 2.449 0 50 DEAA Cc1cn(-c2ccccc2)nc1NC(=O)[C@H]1CCCC(=O)N1C 906604249 BCIUOMZSTOENIX-CQSZACIVSA-N 312.373 2.130 0 50 DEAA Cc1cc(NC(=O)[C@H]2CCCC(=O)N2C)nn1-c1ccccc1 907212124 XJBJWECZVZHFIM-CQSZACIVSA-N 312.373 2.130 0 50 DEAA Cn1nnc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)n1 932274161 DAIGINGKCGBNBH-LLVKDONJSA-N 306.757 2.233 0 50 DEAA CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCc2cc[nH]n2)C12CCC2 404577717 NCUXJERIJSZGLR-CHWSQXEVSA-N 306.410 2.335 0 50 DEAA Sc1nnc(-c2cccnc2)n1-c1ccc2c(c1)OCCO2 6445288 XEZPAIUNLOFZKM-UHFFFAOYSA-N 312.354 2.389 0 50 DEAA CCN(C(=O)N1CCC([C@@H](OC)C(=O)O)CC1)c1ccccc1 2325789813 OXQHHEYAVJXNMV-OAHLLOKOSA-N 320.389 2.445 0 50 DEAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(N)=O 245289728 DSMOMHDACCQYJR-OKZBNKHCSA-N 322.408 2.311 0 50 DEAA COC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 540986 SKKPPXZXMHDBHA-UHFFFAOYSA-N 324.336 2.152 0 50 DEAA COc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 469009 OQURZPLYTYNDCR-UHFFFAOYSA-N 321.354 2.267 0 50 DEAA COc1cccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)c1 1057610 SXFGOODEWUZOPW-UHFFFAOYSA-N 309.251 2.401 0 50 DEAA Cc1cc(C)cc(NC(=O)C[C@@H]2N[C@H]3CCCC[C@H]3NC2=O)c1 4223151 FHPVBAPVNSIQMX-XHSDSOJGSA-N 315.417 2.031 0 50 DEAA CC(=O)Nc1c(Cl)c(Cl)c(NC(C)=O)c2n[nH]nc12 4646060 CPOIWYICYTVUBF-UHFFFAOYSA-N 302.121 2.182 0 50 DEAA CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCC[C@@H](O)C2)C1 225392624 HKNNSQXAIGTXKJ-LSDHHAIUSA-N 312.454 2.480 0 50 DEAA CCSc1nc(CC(=O)N(C)Cc2nc(C)c[nH]2)cs1 55182743 HMXAJFXUGHIRBA-UHFFFAOYSA-N 310.448 2.488 0 50 DEAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2ccc(CO)cc2)c1 225731190 QZCKZBWTPSLQBI-IEBWSBKVSA-N 313.397 2.495 0 50 DEAA CCCc1nc(C)cc(N2CCN(CC3CC3)[C@@H](CCO)C2)n1 106248835 WNNDRBDOTOKAKU-INIZCTEOSA-N 318.465 2.021 0 50 DEAA CCC(CC)NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 67601732 MTLGEEUFTLCSRK-UHFFFAOYSA-N 312.435 2.309 0 50 DEAA Cc1cc(C)c2ccc(C(=O)NC[C@@H]3CCN(C)C3)nc2c1O 67726097 BQZRBBARYADOEX-ZDUSSCGKSA-N 313.401 2.239 0 50 DEAA CC(C)(C(=O)N[C@@H](CO)C(C)(C)C)C1=N[C@@H](C(C)(C)C)CO1 23114929 WEXMWJMLADRXAH-NWDGAFQWSA-N 312.454 2.379 0 50 DEAA C[C@H]1CCN(C(=O)c2c[nH]c3c(Cl)cccc3c2=O)[C@@H]1CO 408522200 FIPQNTMVLIAAAR-TVQRCGJNSA-N 320.776 2.024 0 50 DEAA CC(C)(C)c1noc2ncc(C(=O)NCC3=CCNCC3)cc12 427566389 XMUUTBXBJWYCAO-UHFFFAOYSA-N 314.389 2.170 0 50 DEAA COCC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1cccnc1 65404761 QHLPXIAONISFJC-CQSZACIVSA-N 311.341 2.141 0 50 DEAA 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QRXVDCNTCWZYFB-MRXNPFEDSA-N 322.424 2.411 0 50 DEAA COCc1nccc([C@H]2CCCN(Cc3c[nH]nc3C)C2)n1 371410324 COXBDLJQQRQQTL-ZDUSSCGKSA-N 301.394 2.034 0 50 DEAA CC[C@](CNC(=O)[C@@H]1CCO[C@H](C)C1)(C(=O)O)c1ccccc1 262976585 KLBAOCMSLIXCJA-HBUWYVDXSA-N 319.401 2.350 0 50 DEAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C=C2CCC2)C1 372930650 KVSIQSDDNJWCGR-CYBMUJFWSA-N 302.378 2.184 0 50 DEAA O=S1(=O)CC[C@]2(CCCN(c3ncnc4ccsc34)C2)C1 333682514 LNKHKDHYRMLPQQ-AWEZNQCLSA-N 323.443 2.096 0 50 DEAA CCc1ccc([C@H]2COCCN2CC(=O)Nc2cc(C)on2)o1 126154091 DUEHOMICENVRCW-CYBMUJFWSA-N 319.361 2.150 0 50 DEAA O=C([C@@H]1C[C@H]1C(F)(F)F)N1CC[C@@H](Oc2ccccn2)C1 450131356 FRHFJMPGKDWUAU-GMTAPVOTSA-N 300.280 2.260 0 50 DEAA COc1cccc(CC(=O)N2C[C@@H](N)CC[C@@H]2C(F)(F)F)c1 379293550 WITXHITUVKFUCO-WCQYABFASA-N 316.323 2.118 0 50 DEAA Cc1cc(CC(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)on1 219919854 GLSBUDYOISHFFB-INIZCTEOSA-N 313.401 2.041 0 50 DEAA CC(C)c1nccc(-c2nccn2CC2(CO)CCOCC2)n1 72480835 HBZWESVVMHPWOG-UHFFFAOYSA-N 316.405 2.253 0 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CC[C@H](C(=O)NCCc1noc(C2CCCC2)n1)n1cccn1 91526904 WFPAJLIYVLESED-CYBMUJFWSA-N 317.393 2.234 0 50 DEAA OCC[C@H]1CN(Cc2ccon2)CCN1CC1CCCCC1 23358392 LVSAAUPSMIQRIO-KRWDZBQOSA-N 307.438 2.124 0 50 DEAA COC(=O)c1cc(I)c(O)cc1Cl 90513245 QXEBRCLTJSLHPL-UHFFFAOYSA-N 312.490 2.437 0 50 DEAA Cc1cc(C)c(C(=O)NC[C@H](C)N(C)c2ccccc2)c(=O)[nH]1 91932880 BFQWFPNLSJIPES-AWEZNQCLSA-N 313.401 2.246 0 50 DEAA Cc1ccc(-c2nc(CCNC(=O)[C@H]3C[C@@H]3C(=O)O)co2)cc1 268920511 SJRMOXNPOOZEJK-KBPBESRZSA-N 314.341 2.029 0 50 DEAA COC1CCN(C(=O)NC[C@H](c2ccccc2C)N(C)C)CC1 534639206 PWWWSMKXAUDHDI-QGZVFWFLSA-N 319.449 2.418 0 50 DEAA C[C@@H](CCC(=O)NCc1cccc(CO)c1)N1CCCCC1 534587886 IEMDTVXFYAOZDC-HNNXBMFYSA-N 304.434 2.450 0 50 DEAA Cc1nc(C(F)(F)F)ncc1CN1CC[C@@H](CN(C)C)C1 823690358 WIMGDOIUCRVIEH-NSHDSACASA-N 302.344 2.187 0 50 DEAA Oc1cnc(-c2nc(O)c3c4c(sc3n2)CCCC4)nc1 585137415 XUGNVIRFMLDWJT-UHFFFAOYSA-N 300.343 2.438 0 50 DEAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(CCN)cc1 584899819 QVZLYFBWQUUKED-UHFFFAOYSA-N 314.433 2.481 0 50 DEAA O=C(NCC[C@@H]1CCCOC1)N1CC(Oc2ccc(F)cc2)C1 584886718 OMBAOKNCNCFYGC-ZDUSSCGKSA-N 322.380 2.415 0 50 DEAA C[C@H](CN(C)c1cc(C(F)(F)F)ccn1)N1CCOCC1 670460769 FBHQTXUQESQAEX-LLVKDONJSA-N 303.328 2.257 0 50 DEAA Cc1nc(-c2ccccc2N2CCOCC2)n(-c2ccncc2)n1 670445137 ANBUKXXRNSYHGH-UHFFFAOYSA-N 321.384 2.474 0 50 DEAA C[C@H]1C[C@@H](CNc2ccc(C3CC(=O)NC(=O)C3)cc2)CCO1 1875265548 GNBXVOWDUNLSAG-STQMWFEESA-N 316.401 2.434 0 50 DEAA C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N[C@@H]1CCNc2ncccc21 1875292312 DCIYHFFQTGYFBQ-YVLXSGLVSA-N 311.389 2.144 0 50 DEAA CCc1cc(N2CCCC3(CNC3)C2)nc(-c2ccncc2)n1 1875313076 WFLKXRYRZADVQI-UHFFFAOYSA-N 309.417 2.291 0 50 DEAA CC(=O)N1CCC[C@H](c2nnc(/C=C/c3cnn(C)c3)o2)[C@@H]1C 886084493 BKMVWVIWIKDNSF-MEQIJJHFSA-N 315.377 2.088 0 50 DEAA Cc1cc(Cl)cc(CN[C@H]2COC[C@H]2Oc2cnn(C)c2)c1 886079516 DLZROMOXRQIVEG-JKSUJKDBSA-N 321.808 2.318 0 50 DEAA Cn1nc2c(c1C(=O)NCC[C@H]1CCC(C)(C)CO1)CCC2 887410598 RHLVLMIMKSYBPO-GFCCVEGCSA-N 305.422 2.234 0 50 DEAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)COC2CCC(C)CC2)C1 888077563 IVRLDLKSYFUWPT-NEXFUWMNSA-N 321.421 2.293 0 50 DEAA C[C@H]1CCCN(C(=O)c2ncnc(O)c2Br)[C@H]1C 1362138550 HVWAGGORVIVNGA-YUMQZZPRSA-N 314.183 2.205 0 50 DEAA O=C(c1ccc(Cl)o1)N1CCN(c2cc(C3CC3)n[nH]2)CC1 186248401 PDZAZOWVLMNWTJ-UHFFFAOYSA-N 320.780 2.496 0 50 DEAA CC(C)NCCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 170089302 DRYFXOMHXLAUIX-UHFFFAOYSA-N 307.413 2.474 0 50 DEAA CC(C)(C)C(=O)N=c1cc[nH]cc1C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 408215294 BPLWOVSRVIFCHI-BETUJISGSA-N 315.417 2.216 0 50 DEAA CC(=O)c1cccc(CNC(=O)c2ccc(N3CCCC3)nn2)c1 408518257 XZFDOFIWSQXLHM-UHFFFAOYSA-N 324.384 2.209 0 50 DEAA COC(OC)[C@H](NC(=O)c1nc(C)oc1C)c1ccccc1 408522446 JGIYTDDZDQWENH-CQSZACIVSA-N 304.346 2.381 0 50 DEAA Cc1ccc(/C=C/C(=O)NCc2nc(C(F)(F)F)n[nH]2)o1 170599775 VETIMXHCSMCXCL-SNAWJCMRSA-N 300.240 2.055 0 50 DEAA CC[C@H](C)[C@@H](NC(N)=O)C(=O)N1CCCc2ccc(C)cc21 280883390 BGYJUKHFSCKLSI-SWLSCSKDSA-N 303.406 2.357 0 50 DEAA Cc1nc(NC[C@@H](CO)[C@H]2CCOC2)ccc1Br 280992716 NLULHJKZQXOIEE-QWRGUYRKSA-N 315.211 2.209 0 50 DEAA COCc1cc(CNc2ccc(CN3CCOC3=O)cc2)no1 585118400 MXWNIPIZBARTOX-UHFFFAOYSA-N 317.345 2.385 0 50 DEAA Cc1cc(N)nc(SC[C@H]2CN(c3ccccc3)CCO2)n1 585119179 VKLFWKSXCHCSSA-CQSZACIVSA-N 316.430 2.365 0 50 DEAA Cc1ncc(CC(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)o1 640132426 LRSSTOLXZVFTFE-HNNXBMFYSA-N 322.311 2.404 0 50 DEAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(C)c(F)c2)C1 644118021 ZPSPRKWHTQWNQF-OCCSQVGLSA-N 303.337 2.459 0 50 DEAA CC(C)C(=O)N1CCC(C(=O)Nc2cc(C(=O)O)cs2)CC1 191339348 WODWLHAKTLJJGF-UHFFFAOYSA-N 324.402 2.279 0 50 DEAA Cc1cc(CC(=O)Nc2ccc(C[C@H](C)C(=O)O)cc2)no1 191404526 GPVZIJFSVKSPFM-JTQLQIEISA-N 302.330 2.427 0 50 DEAA O=C(O)c1coc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c1 193109345 GOJYMTFQNQXLIC-WFASDCNBSA-N 315.325 2.485 0 50 DEAA CN1C[C@@H](C(=O)NOCc2ccccc2)c2ccccc2C1=O 784763707 WSGAEIZKZBMFSH-MRXNPFEDSA-N 310.353 2.104 0 50 DEAA CCc1nn(C)c(NC(=O)c2cccc(-n3cnnc3)c2)c1C 1506420662 OXAAXRMPZFVROC-UHFFFAOYSA-N 310.361 2.124 0 50 DEAA CN(C)CCN(Cc1cnc[nH]1)C(=O)Cc1cccc(Cl)c1 1704327302 BYQBHMHKVXNXOW-UHFFFAOYSA-N 320.824 2.196 0 50 DEAA Cc1ccc(-c2noc([C@H]3CN4CCN3C[C@H]4C)n2)cc1F 1615587255 CTENZVUMJSPQCU-BXUZGUMPSA-N 302.353 2.245 0 50 DEAA COc1cccc(CCCN2C[C@H](C)O[C@]3(CCNC3)C2)c1 1616040877 GRCZVVLWGLCXFW-YJBOKZPZSA-N 304.434 2.081 0 50 DEAA Cc1cc(N2CCC([C@H](O)CO)CC2)c2cc(F)cc(F)c2n1 1772712319 OKFKAKIURQUHRM-MRXNPFEDSA-N 322.355 2.391 0 50 DEAA c1cncc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19370448 GTWIHPXXAWIOMH-UHFFFAOYSA-N 311.385 2.128 0 50 DEAA c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)co1 19537693 UFOPNSWQNWYXLF-UHFFFAOYSA-N 300.358 2.326 0 50 DEAA O[C@@H](CN1CCC2(CCc3ccccc32)CC1)C1CCNCC1 1857672200 BXJDEIIAAYTSJM-IBGZPJMESA-N 314.473 2.327 0 50 DEAA Cc1csc2c(N[C@@H]3C[C@H]4CO[C@H](C)CN4C3)ncnc12 1857722389 GNDIGVYCTDBLJZ-UTUOFQBUSA-N 304.419 2.273 0 50 DEAA O=C(NC1CC1)[C@@H]1CCCN1CCOc1cccc(Cl)c1 113505623 PZIAAQZZZQSZJM-HNNXBMFYSA-N 308.809 2.462 0 50 DEAA C[C@H](OCC(F)(F)F)C(=O)N1CCC[C@H](CCC(=O)O)C1 237561223 HAYNCEGTOMYULR-VHSXEESVSA-N 311.300 2.057 0 50 DEAA Cn1cc(CCNCc2cc(Cl)ccc2OC(F)F)nn1 585089159 QMWMAVPPXPEXJK-UHFFFAOYSA-N 316.739 2.402 0 50 DEAA COc1ccc(CN2CC[C@@H]2C(=O)Nc2nnc(C)s2)cc1 585140272 BBIWIXRWPJAQOE-CYBMUJFWSA-N 318.402 2.068 0 50 DEAA C[C@@H](C(=O)Nc1cccc(OCC(=O)O)c1)C1CCOCC1 262728105 AATLZFKYNQJCPG-LLVKDONJSA-N 307.346 2.151 0 50 DEAA Cn1ccnc1-c1cccc(NC(=O)NC[C@@H]2CCC[C@H]2O)c1 266459028 SFZBSOAOQADONG-DZGCQCFKSA-N 314.389 2.370 0 50 DEAA CC(C)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)O)nn1C 902728716 AFMZKRHLMBVABC-ZDUSSCGKSA-N 315.373 2.115 0 50 DEAA Cc1cc(Cl)cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)c1 1704312678 IFUUGYRABZTHLM-WFASDCNBSA-N 308.809 2.051 0 50 DEAA C[C@]1(C(=O)Nc2cccc(-n3cccc3)c2)CCCS1(=O)=O 905897871 FLLMOIGEVUSMNX-MRXNPFEDSA-N 318.398 2.383 0 50 DEAA CCc1ccc2ccccc2c1CN1CCOC[C@H]1CC(N)=O 930674253 CMYHJHVUXWBLEH-MRXNPFEDSA-N 312.413 2.478 0 50 DEAA O=C(Cc1ccsc1)N1CC[C@](C(=O)O)(C(F)(F)F)C1 111239584 LUQDZJOULHOCST-NSHDSACASA-N 307.293 2.156 0 50 DEAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(Cl)cn2)C1 379176896 FOHGJUZGIGYUPX-SCZZXKLOSA-N 307.703 2.229 0 50 DEAA CC(=O)NCC1(CC(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)CCCCC1 2325767737 OGNLGNGOUWJEHT-LOUJCGABSA-N 324.465 2.391 0 50 DEAA C[C@@H](N)c1ccc(CNC(=O)[C@](C)(O)c2ccc(F)cc2)cc1 2325795207 PEXDVLMKTBPJQU-KZULUSFZSA-N 316.376 2.369 0 50 DEAA Cc1cc(Br)ccc1S(=O)(=O)n1ccnc1 208699 YKRCNWNGOVYANL-UHFFFAOYSA-N 301.165 2.191 0 50 DEAA Cc1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1 352616 LCMSZFPDFOERMU-UHFFFAOYSA-N 309.373 2.020 0 50 DEAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC(C)C)cc1 449597 GVMZMFBTSFMFQQ-CQSZACIVSA-N 320.414 2.440 0 50 DEAA Cc1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl 452191 MLQZCCPZZMJOFB-UHFFFAOYSA-N 310.202 2.323 0 50 DEAA CN1CC[C@H](NC(=O)c2cc[nH]n2)[C@H]1c1ccc(Cl)c(F)c1 246428458 ILCHTSUMNADAPR-GXTWGEPZSA-N 322.771 2.377 0 50 DEAA COc1cc(CNCCO)ccc1OCc1ccc(F)cc1 2478127 RYXKXUCDRBYAMK-UHFFFAOYSA-N 305.349 2.495 0 50 DEAA Cc1cnc(N2CC[C@@H](c3ccccc3)[C@H](O)C2)nc1N(C)C 2356143574 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CC(C)CN1CCC(NC[C@H]2CC(=O)N(C3CCCC3)C2)CC1 67678962 LVUCOKDIBKSKEF-MRXNPFEDSA-N 321.509 2.488 0 50 DEAA CC[C@@H](Oc1ccccc1OC)C(=O)N1CCN(CC)CC1 20018662 FQUCZYIUUONSGD-CQSZACIVSA-N 306.406 2.017 0 50 DEAA CC[C@H](C)S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 24614056 CMDVJVDDWJJUBQ-NSHDSACASA-N 323.418 2.025 0 50 DEAA Cn1nc(C(=O)Nc2ccc3c(c2)OCO3)cc1C(F)(F)F 21806755 VABWMIZVXNAHEB-UHFFFAOYSA-N 313.235 2.420 0 50 DEAA O=C(O)c1ccc(-c2noc(CNCc3ccccn3)n2)cc1 67955343 UCXRCUQQRFIQKR-UHFFFAOYSA-N 310.313 2.120 0 50 DEAA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccn1 354404 ZHRQYCANWCGOLM-UHFFFAOYSA-N 309.325 2.097 0 50 DEAA biogenic CCc1ccc(OCC(=O)N2N=C(C)C[C@]2(O)C(F)F)cc1 1459818 NHJMDUVUWRDTJD-HNNXBMFYSA-N 312.316 2.190 0 50 DEAA COCc1cc(CN(C)C2CCC3(CCNCC3)CC2)n[nH]1 67673370 OUXVMWLVNZYWGU-UHFFFAOYSA-N 306.454 2.300 0 50 DEAA Cc1cnc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c(C)c1 822781337 KKTDYECZFXKGLJ-OAHLLOKOSA-N 315.417 2.316 0 50 DEAA Cc1n[nH]c(C)c1CN(C)C[C@@H]1CC(=O)N(C2CCCC2)C1 215666236 FDVUKOVRFCMEMB-AWEZNQCLSA-N 304.438 2.249 0 50 DEAA CNC(=O)O[C@@H]1CCN(CCCC(=O)c2ccc(F)cc2)C1 71769292 IISFPHYBOMXAGZ-CQSZACIVSA-N 308.353 2.219 0 50 DEAA Cn1cncc1[C@@H]1C[C@H](N=c2nc(C(C)(C)C)[nH]s2)CCO1 328633380 SOOIZXFHBPPHIM-PWSUYJOCSA-N 321.450 2.323 0 50 DEAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@@H]2CCO)cc1 72481440 GJJDXWJOCNZGRH-MRXNPFEDSA-N 305.418 2.377 0 50 DEAA O=S(=O)(c1ccc(OCc2ccon2)cc1)N1CCCCC1 332327110 XQYQTUPZKAXDRR-UHFFFAOYSA-N 322.386 2.428 0 50 DEAA C[C@@]1(c2ccccc2)CN(C(=O)NCC2=CCCOC2)CCO1 377073268 ROMFEEJYXHKPOE-SFHVURJKSA-N 316.401 2.290 0 50 DEAA O=C(O)C1(Oc2ccccc2F)CCN(C[C@H]2CCOC2)CC1 72453607 QAFGGHWZYRTLRR-CYBMUJFWSA-N 323.364 2.160 0 50 DEAA COC(=O)[C@@H]1C[C@H]1c1nc(-c2ccc(CN(C)C)cc2)no1 337309771 ZNEWEKMKPLRKCE-CHWSQXEVSA-N 301.346 2.075 0 50 DEAA Cc1ccc(C)c(CC(=O)N(CCC(=O)O)C[C@@H]2CCCO2)c1 237643358 GWULJORIRHSOKZ-INIZCTEOSA-N 319.401 2.328 0 50 DEAA O=C(c1cccnc1O)N1CCC[C@@H](Oc2ncccc2F)C1 242273768 YFSTWNUSOQIJPM-LLVKDONJSA-N 317.320 2.005 0 50 DEAA Cc1c(NCc2cccnc2)cccc1S(=O)(=O)NC1CC1 285660038 SXGXWKBQYHZMBY-UHFFFAOYSA-N 317.414 2.443 0 50 DEAA CO[C@H]1CCC[C@H]1NC(=O)c1cc(F)cc2nc(S)[nH]c12 130511120 HEACABBWJFNGRC-KOLCDFICSA-N 309.366 2.288 0 50 DEAA CSc1ncc(CNC(=O)CCc2scnc2C)n1C 82137405 QIFBCMUPUYMYCR-UHFFFAOYSA-N 310.448 2.156 0 50 DEAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 239173700 OLZRUUNVPMTXAG-CQJMVSDSSA-N 315.369 2.058 0 50 DEAA CCn1nc(CCSC)nc1-c1ccc(N(C)CCO)cc1 95508468 GDBXZDMMRVETOV-UHFFFAOYSA-N 320.462 2.299 0 50 DEAA CCn1nncc1C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 293390685 QVUFRIALXNBDTI-ABAIWWIYSA-N 318.352 2.039 0 50 DEAA COc1cc([C@H](O)CCC2OCCCO2)cc(OC)c1OC 95728602 VYAOVIOGLUKAAR-GFCCVEGCSA-N 312.362 2.289 0 50 DEAA CC(C)=CCN1CC2(CCN(Cc3nnc(C)o3)CC2)CC1=O 91468690 GOOHRRDFZNNHOL-UHFFFAOYSA-N 318.421 2.159 0 50 DEAA CCc1[nH]nc(C(=O)N(CCN(C)C)Cc2ccccc2)c1C 97636529 OUVZUKQACBOGKW-UHFFFAOYSA-N 314.433 2.485 0 50 DEAA O=C1CC2(CCN(Cc3cnc[nH]3)CC2)CN1Cc1ccccc1 95502745 LEMCBRLEAICCRT-UHFFFAOYSA-N 324.428 2.424 0 50 DEAA Cc1nc(NCc2ccc(OCc3noc(C)n3)cc2)n(C)n1 162443501 ZAOVWUXZIYUFKM-UHFFFAOYSA-N 314.349 2.006 0 50 DEAA O=C(O)CN(C(=O)c1cccc([C@H]2CCOC2)c1)C1CCC1 621581321 NLWBVDHMZCRCQF-AWEZNQCLSA-N 303.358 2.270 0 50 DEAA Cc1cc(C)c(C(=O)NCCCc2nc(C(C)C)no2)c(O)n1 252505145 VPQDYRFTQUOAGJ-UHFFFAOYSA-N 318.377 2.273 0 50 DEAA O=C(NCCCc1nc2ccccc2s1)[C@H]1C[C@H]1C(=O)O 299750019 MKIPVHCOFIFAHL-VHSXEESVSA-N 304.371 2.066 0 50 DEAA CN(Cc1ccc(-c2ccccc2)cc1)C(=O)[C@H]1C[C@@H](O)CN1 299753219 XHTAUYDUKOJPSX-QZTJIDSGSA-N 310.397 2.035 0 50 DEAA Cn1ncc2c1CN(C(=O)C(F)(F)c1cc(F)cc(F)c1)C2 823334081 JLMCHJALWCURDE-UHFFFAOYSA-N 313.254 2.333 0 50 DEAA c1ccc2c(c1)CCC(N1CC[C@H]3[C@H](C1)OCc1cnnn13)CC2 299765006 YHCSYXRWHIRFEJ-OALUTQOASA-N 324.428 2.371 0 50 DEAA CC(C)(C)N1CC[C@@H](NC(=O)N2CC(Oc3ccccc3)C2)C1 827897853 MMJRESFHMOHESS-CQSZACIVSA-N 317.433 2.332 0 50 DEAA Cc1csc([C@@H](C)CNC(=O)c2nnc3n2CCCCC3)n1 584893567 XCUQVSKMLKQJNK-JTQLQIEISA-N 319.434 2.303 0 50 DEAA CCCOC[C@H]1CCN(C(=O)COc2ccccc2OC)C1 584889804 AXXHTWRSABGHKN-AWEZNQCLSA-N 307.390 2.349 0 50 DEAA Cn1nc(C2CCCC2)cc1C(=O)N1C[C@H]2C[C@H](O)CC[C@H]2C1 1875309236 ZONINIOJMVURPF-RRFJBIMHSA-N 317.433 2.311 0 50 DEAA Cc1csc([C@@H]2CN(c3nccc4ncncc34)CCO2)n1 952876832 FWCSMGQSYQZHLH-ZDUSSCGKSA-N 313.386 2.368 0 50 DEAA CC(C)c1cc(C(=O)NCc2cc(C3CC3)nn2C)cc(O)n1 1875271788 YDPPCFNZDMSVJV-UHFFFAOYSA-N 314.389 2.452 0 50 DEAA COc1ccc(NC(=O)N2CC[C@@H](c3ccon3)C2)c(C)n1 1775993962 XZRDJOIMWBPENP-LLVKDONJSA-N 302.334 2.408 0 50 DEAA CCC(CC)C(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)O 1595103929 LXRNDTMOSRDBHN-KRWDZBQOSA-N 317.389 2.432 0 50 DEAA CO[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2)[C@](C)(C(=O)O)C1 630470310 UIRVBMGGIZBJFN-RBOXIYTFSA-N 306.362 2.021 0 50 DEAA C[C@@H]1C(=O)N(C[C@H](O)Cc2ccc3ccccc3c2)C(=O)[C@@H]1C 280292934 MTUXUQKMHMZUGU-IIYDPXPESA-N 311.381 2.384 0 50 DEAA COC(=O)[C@H]1C[C@H](O)CN1Cc1cc2cc(C)c(C)cc2o1 188614078 PWRCFNAAVSAMCF-DZGCQCFKSA-N 303.358 2.158 0 50 DEAA Cn1cc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cn1 189383776 CWHFXAJUEALLIL-ZFWWWQNUSA-N 300.362 2.319 0 50 DEAA O=S(=O)(c1c[nH]c2cccc(F)c12)N1CC[C@@]2(CCOC2)C1 189443596 LWUVQERNDSMJET-OAHLLOKOSA-N 324.377 2.108 0 50 DEAA Cc1cc(C)nc(-n2nccc2NC(=O)[C@H]2CCCO[C@H]2C)n1 189599595 OOWQBOKZCZDDSZ-STQMWFEESA-N 315.377 2.033 0 50 DEAA COc1cc(C(=O)NC[C@H](CC(=O)O)CC(C)C)sn1 585134790 JZAQWLAUQGFWMT-VIFPVBQESA-N 300.380 2.019 0 50 DEAA O[C@H](CN[C@H]1CCCN(c2cccc(F)c2)C1)CC1(O)CCC1 1615587572 HQWNYBDVFUHGDG-RDJZCZTQSA-N 322.424 2.050 0 50 DEAA COc1ccc2c(N3C[C@@H](C)[C@H](C(N)=O)C3)nc(Cl)cc2c1 1616038838 QKUNCQBQWXAJQK-NOZJJQNGSA-N 319.792 2.454 0 50 DEAA CC(C)(C)OC(=O)N1CCn2c(nnc2[C@]2(C)CCCO2)C1 1616039033 SPYHMSAEJZIGCR-HNNXBMFYSA-N 308.382 2.054 0 50 DEAA COc1ccccc1C(=O)Nc1cnc2sccn2c1=O 13999805 NDSCBSQHXRCCBM-UHFFFAOYSA-N 301.327 2.017 0 50 DEAA C[C@]1(CCC(=O)N[C@H](c2ccco2)C(F)(F)F)CCC(=O)N1 14972518 DYDOIWMXKMVLIV-OLZOCXBDSA-N 318.295 2.448 0 50 DEAA CC(C)(C)CN1C[C@H](NC(=O)CCc2ccsc2)CC1=O 15072611 ZEROBDFGYMSXLX-CYBMUJFWSA-N 308.447 2.444 0 50 DEAA COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 16246965 SGHJQVRLLNHPMX-AOOOYVTPSA-N 319.810 2.147 0 50 DEAA Cc1nnc(SCc2cnc(-c3ccccc3)o2)[nH]c1=O 18179418 YSBXRRSZGVUPOC-UHFFFAOYSA-N 300.343 2.421 0 50 DEAA COc1cccc(CN2CCN(C(=O)c3ccncc3)CC2)c1 19774067 XXQSAPDRNQQJEO-UHFFFAOYSA-N 311.385 2.048 0 50 DEAA CCCc1nc(NCc2ccc3c(c2)OCO3)ncc1C(=O)O 169751261 DYJNCXPLCUCXCK-UHFFFAOYSA-N 315.329 2.468 0 50 DEAA O=C1C[C@H]2N(Cc3cccc4ccccc34)CC[C@]23OCCN13 1857708377 QORUOXIZRZVPPU-MJGOQNOKSA-N 308.381 2.373 0 50 DEAA Cc1nn(C)c(C)c1NC(=O)NCc1cccc(C(=O)O)c1 669502013 OEEQQIPXPDKVTB-UHFFFAOYSA-N 302.334 2.057 0 50 DEAA CCc1cccc(OCCN2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 253396285 NCXJTAYQSJVUIF-GUDVDZBRSA-N 319.445 2.490 0 50 DEAA C[C@@H]1CN(C(=O)C2(c3ccccc3Cl)CCOCC2)CCN1 155156085 BEPOQRMIXGMFSL-CYBMUJFWSA-N 322.836 2.209 0 50 DEAA CN(C)C1(CNS(=O)(=O)c2csc3ccccc23)CC1 583651837 UFCKHHPLCGJEQI-UHFFFAOYSA-N 310.444 2.274 0 50 DEAA Cc1cccn2cc(C(=O)N3CCC[C@@H](n4ccnn4)C3)cc12 823244888 IRRFSILQPLSRTE-OAHLLOKOSA-N 309.373 2.317 0 50 DEAA COc1cc(C(=O)NCCc2nnc(-c3ccccc3)o2)ccn1 1116256396 JBIKEFUOYNDJKX-UHFFFAOYSA-N 324.340 2.113 0 50 DEAA O=C(c1c(F)ccc2c1OCO2)N1CCC[C@H](n2ccnc2)C1 931886116 MMBDDMJKDPBSPP-NSHDSACASA-N 317.320 2.228 0 50 DEAA Cc1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 264677 HOTLQAQONXIZQA-UHFFFAOYSA-N 310.202 2.323 0 50 DEAA O=C(Nc1ccsc1)c1nc(CN2CCOCC2)cs1 2325767618 DCEBEKGLWUVBGZ-UHFFFAOYSA-N 309.416 2.289 0 50 DEAA Cn1cc([C@H]2CCN(c3ccnc(CO)n3)C2)c2ccccc21 2325780518 OZMLIDNBJUCMHS-ZDUSSCGKSA-N 308.385 2.455 0 50 DEAA O=C1Cn2nnc(C(=O)c3ccccc3)c2C2(CCCCC2)O1 132494 XFCJNJBAUMMPFK-UHFFFAOYSA-N 311.341 2.225 0 50 DEAA O=C(O)c1ccc(F)c(S(=O)(=O)NCc2ccccc2)c1 258427 HPCZHVVNYKEXQR-UHFFFAOYSA-N 309.318 2.002 0 50 DEAA CCCN1Cc2nnc(CCc3ccc(O)cc3)n2[C@H](C)C1=O 2356141985 YTKWGZUGKJMMMR-GFCCVEGCSA-N 314.389 2.082 0 50 DEAA C[C@@H](NC(=O)CN1[C@H]2CCC[C@@H]1C[C@H](O)C2)c1ccccc1 2356164752 FVWQPQQAMHCVLL-SIXLDLHFSA-N 302.418 2.242 0 50 DEAA NS(=O)(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 3885123 PNALNXXHLWPHNQ-UHFFFAOYSA-N 310.762 2.240 0 50 DEAA C[C@@H]1CCC[C@@H](C(=O)O[C@H](C)C(=O)NCc2ccccn2)C1 225856633 ROVOKUVCYYJKGH-MGPQQGTHSA-N 304.390 2.456 0 50 DEAA CC[C@@H](CO)N(Cc1ccco1)C(=O)c1cccnc1OC 55099843 DXLMYTWRLHKEBS-LBPRGKRZSA-N 304.346 2.097 0 50 DEAA Cc1noc([C@@H]2CCCN(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)C2)n1 350140343 UELFEARINLZOQL-FQUUOJAGSA-N 304.394 2.456 0 50 DEAA CNC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1 10454558 BADTXUNGAQKVHF-UHFFFAOYSA-N 312.325 2.085 0 50 DEAA Cc1nnc2n1CCN(C(=O)c1ccc(CC(C)C)cc1)CC2 23145409 PVZRGYSSNRLUHH-UHFFFAOYSA-N 312.417 2.484 0 50 DEAA CCn1c(C2CCN(c3cccc(C(C)C)n3)CC2)n[nH]c1=O 67822142 INRHMMYSABKVNQ-UHFFFAOYSA-N 315.421 2.494 0 50 DEAA COc1ccc(CN(C)Cc2cnc(N)nc2)c2cccnc12 65527874 BAJZWFKBXSXLIN-UHFFFAOYSA-N 309.373 2.248 0 50 DEAA CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H](C)CN2CCN(C)CC2)C1(C)C 230257366 MJLLRDXWVCFBHU-GVDBMIGSSA-N 321.509 2.225 0 50 DEAA CC(C)c1nc(=N[C@H]2CCCO[C@@H]2c2cnn(C)c2)s[nH]1 328621556 HUMJLXDNDVIZPS-NWDGAFQWSA-N 307.423 2.149 0 50 DEAA CCOc1nc(C)ccc1C(=O)N1CC[C@@H](c2nc(C)no2)C1 332088426 UAKPVWHPYXGQFO-GFCCVEGCSA-N 316.361 2.110 0 50 DEAA CC(C)c1nnc(CN2C=Nc3ccccc3S2(=O)=O)o1 332005100 PTCGAYNMRZQKNZ-UHFFFAOYSA-N 306.347 2.057 0 50 DEAA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)[C@H]1CCOC1 253416908 OJJAVWHXEYLDHK-IHRRRGAJSA-N 313.442 2.085 0 50 DEAA Cc1nccc(N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)n1 71589497 HVUXXBFXWQLHJH-OAHLLOKOSA-N 302.422 2.258 0 50 DEAA C[C@@H]1CN(C(=O)c2ccc(F)c(Br)c2)C[C@@H](C)N1 154080202 FKKGSGHJWOOREW-RKDXNWHRSA-N 315.186 2.411 0 50 DEAA CC1(C)CN(C(=O)c2nnc3ccccc3n2)[C@@H]2CCC[C@H]2O1 365674226 KULLKQFMZHRTFL-ZIAGYGMSSA-N 312.373 2.197 0 50 DEAA COc1ccc2ncn(Cc3cn4ccccc4n3)c(=O)c2c1 32576533 FFEKGGDYJOGPQK-UHFFFAOYSA-N 306.325 2.101 0 50 DEAA CC(C)c1cc(C(=O)NCc2cccnc2-n2ccnc2)nn1C 174070189 HRNPZAMXVGRCRE-UHFFFAOYSA-N 324.388 2.054 0 50 DEAA O=C(c1ccon1)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 375991877 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CN(CCc1ccccn1)c1nc(CCN)nc2ccccc12 65508171 COBRQSMGCUOGGC-UHFFFAOYSA-N 307.401 2.205 0 50 DEAA O=C(CCN1CCCc2ccccc21)N[C@@H]1CCC[C@H]1CO 1875325011 GBMXNMSXAQATQD-JKSUJKDBSA-N 302.418 2.107 0 50 DEAA C[C@H](CNC(=O)c1cnc2[nH]cncc1-2)COCc1ccccc1 952993933 LVYXPIFEGQNNOU-CYBMUJFWSA-N 324.384 2.492 0 50 DEAA CC(C)(C(=O)N[C@H]1C[C@H](CO)C1)c1cccc(C(F)(F)F)n1 886881817 STYYFDSDLLORLJ-MGCOHNPYSA-N 316.323 2.265 0 50 DEAA CC(C)c1nc([C@@H]2C[C@@H](O)[C@@H](CNc3ccc(F)cn3)C2)n[nH]1 888097947 VDFHIKUIMCFYCD-DMDPSCGWSA-N 319.384 2.429 0 50 DEAA CC(C)n1c(CCNC(=O)C2(C)COC2)nc2ccccc21 273040027 HJTAJWSYOMUMTA-UHFFFAOYSA-N 301.390 2.312 0 50 DEAA NC(=O)C1(NC(=O)c2coc3ccc(F)cc23)CCCCC1 583323173 FVNSIVQGYYCNEI-UHFFFAOYSA-N 304.321 2.490 0 50 DEAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccc(C#N)cc2C)cn1 275386959 QYPQUNLOGLVBRU-DLBZAZTESA-N 324.384 2.343 0 50 DEAA CC(=O)N(C[C@@H]1CCCN1C[C@@H](O)Cc1ccccc1)C1CC1 276598374 VHMPSIYCEBJHRS-OALUTQOASA-N 316.445 2.065 0 50 DEAA CC1=C(C)C[C@@H](C(=O)NS(=O)(=O)c2c(C)noc2C)CC1 408498518 LGIUBHGODBFYDN-LBPRGKRZSA-N 312.391 2.233 0 50 DEAA CCCn1cc(CN2CCCN(c3nccs3)CC2)cn1 171545056 MVBDRSMDVNOENI-UHFFFAOYSA-N 305.451 2.462 0 50 DEAA CC[C@@H](C)N(CC)S(=O)(=O)c1cc(OC)ccc1C(=O)O 634653115 JKCPPELTLMWBTJ-SNVBAGLBSA-N 315.391 2.203 0 50 DEAA COCCn1ccc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)n1 187859777 XVXPEMVJIZNLLI-UONOGXRCSA-N 309.435 2.030 0 50 DEAA C[C@@H](O)[C@@H]1CCCN(C(=O)NCc2cccc3c2CCOC3)C1 637693250 RKLCCNMGXXDAJU-UKRRQHHQSA-N 318.417 2.062 0 50 DEAA CC(C)(C)n1nccc1NC(=O)N[C@@H]1c2ccccc2C[C@H]1O 190484380 ZIOWJEYZVYRIIW-UKRRQHHQSA-N 314.389 2.418 0 50 DEAA C[C@@H]1NCC[C@@H]1C(=O)N1CCC(OCc2ccc(F)cc2)CC1 649377881 BSSCPZCBVQIRPU-GUYCJALGSA-N 320.408 2.331 0 50 DEAA CCOc1ccc(NC(=O)N2CCOC[C@@H]2CCOC)nc1C 668136786 NMCMFGNCOBNLIK-ZDUSSCGKSA-N 323.393 2.058 0 50 DEAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(Cc2ccncc2Cl)C1 779898905 IBGJZSKWUWYDHV-DGCLKSJQSA-N 308.769 2.388 0 50 DEAA COc1ccc(C(=O)NC[C@@](C)(O)c2ccccc2Cl)nc1 1614997495 DEKIABHRNKAWBD-MRXNPFEDSA-N 320.776 2.381 0 50 DEAA Cn1nccc1C(=O)N1CCC[C@@H](Nc2ccc(F)cc2)C1 12022269 TVSMOFBWIFBATN-CQSZACIVSA-N 302.353 2.276 0 50 DEAA Cc1c[nH]c(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3)C2)n1 12305282 CGCGQEOUTPLCMY-QGZVFWFLSA-N 302.422 2.056 0 50 DEAA Cc1cc(N2CCCN(CCc3cc(C)no3)CC2)ccn1 19595491 AZUUYXMFLZDCPQ-UHFFFAOYSA-N 300.406 2.441 0 50 DEAA CC(C)CN1CC[C@H](CNC(=O)N(C)Cc2ccccn2)C1 150754428 FDINYBJHNZNRJG-OAHLLOKOSA-N 304.438 2.201 0 50 DEAA CC[C@@]12COC(=O)N1CCN(Cc1ccc(-c3cc[nH]n3)o1)C2 1857674762 XFXLMHUUJDWMFX-MRXNPFEDSA-N 316.361 2.086 0 50 DEAA NC(=O)c1ccc2cccc(OC[C@H]3CC4CCN3CC4)c2n1 1857683163 DPARLELWSOLIMX-CQSZACIVSA-N 311.385 2.197 0 50 DEAA CN(C)c1ccc(-n2ccnc2-c2cnsc2)cc1C(N)=O 1857684641 WIELSZPDIJHWIB-UHFFFAOYSA-N 313.386 2.161 0 50 DEAA CCn1cnnc1[C@@H]1CN(Cc2nc3ccccc3o2)CCO1 328620794 ACSZCOGCDLWBSI-AWEZNQCLSA-N 313.361 2.013 0 50 DEAA COc1ccc(C)nc1NC(=O)N1CCN2CCCC[C@H]2C1 127339126 HQNFQOMLMJKGNL-ZDUSSCGKSA-N 304.394 2.101 0 50 DEAA Cn1cncc1CNCC1(c2ccc(F)cc2)CCOCC1 237924646 SEXZZFZUWLSULE-UHFFFAOYSA-N 303.381 2.397 0 50 DEAA CCOc1ccc(CC(=O)N[C@H](CCC(C)(C)C)C(N)=O)cc1 239475403 AOBBLLQEDVHOQM-OAHLLOKOSA-N 320.433 2.424 0 50 DEAA O=C(Cc1cccnc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 348255467 GLAWCMZISMVFGQ-JKSUJKDBSA-N 300.333 2.098 0 50 DEAA COc1cc(C(F)(F)F)ncc1NC(=O)[C@H]1CCCOC1 252490654 KYPBWMXWBUGWQR-QMMMGPOBSA-N 304.268 2.474 0 50 DEAA Cc1cc(Cl)ccc1C(=O)NCCCCN1CCOCC1 151950223 KNBQHHIBCLFNPY-UHFFFAOYSA-N 310.825 2.491 0 50 DEAA COc1cc2ncn(Cc3ccc(C)o3)c(=O)c2cc1OC 32587309 OUUVIKCGAANCMC-UHFFFAOYSA-N 300.314 2.363 0 50 DEAA COc1ccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1F 1704336419 HOGCHCFNEVGCEN-QZTJIDSGSA-N 322.424 2.113 0 50 DEAA C1CCc2c(CN3CCC(N4CCCOCC4)CC3)noc2C1 931291041 UQSAPPBWANRCFA-UHFFFAOYSA-N 319.449 2.240 0 50 DEAA NC(=O)C[C@H](NC(=O)C(=O)C1CCCCC1)C1CCCCC1 2325811365 SEQLRQZDAZPOLB-AWEZNQCLSA-N 308.422 2.076 0 50 DEAA COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C=CO[C@H]1O2 402670 OQIQSTLJSLGHID-QPFGOUBPSA-N 312.277 2.277 0 50 DEAA endogenous,in-man O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccccc1 62111 SLOMPYYQQPCHNF-UHFFFAOYSA-N 309.321 2.116 0 50 DEAA Cc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 73848 FRCCOVWVDLDBBG-INIZCTEOSA-N 313.353 2.186 0 50 DEAA biogenic,in-vitro CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC 3860906 UYXTWWCETRIEDR-UHFFFAOYSA-N 302.367 2.385 0 50 DEAA endogenous,investigational Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)s1 4520220 YHOFWAOJFQFHKX-LLVKDONJSA-N 316.386 2.147 0 50 DEAA COc1ccc(NC(=O)C(=O)NCC2CCCCC2)cc1OC 6700791 VHVLJUGQELNSDQ-UHFFFAOYSA-N 320.389 2.339 0 50 DEAA CN(C(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 10112103 IUJKMDYJMCHFPH-UHFFFAOYSA-N 304.371 2.335 0 50 DEAA Cc1cc2[nH]c(CN3CCC[C@H]3c3ccccn3)cc(=O)n2n1 102324622 NWBRCEYLNPSTLC-HNNXBMFYSA-N 309.373 2.063 0 50 DEAA CCc1n[nH]c2c1CN(Cc1cnc(-c3ccccn3)nc1)CC2 23337581 AAYISGYZECRGOC-UHFFFAOYSA-N 320.400 2.382 0 50 DEAA Cc1cccnc1NCCNC(=O)c1cn2cccc(C)c2n1 67956478 JHJUHIOQQIIZRG-UHFFFAOYSA-N 309.373 2.188 0 50 DEAA Cc1cccc2c1nc(CCO)n2-c1cccc(-n2cnnc2)c1 65502814 TVTDSJQWGPKWJC-UHFFFAOYSA-N 319.368 2.449 0 50 DEAA Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCNC[C@@H]1C 125982392 USLKJTBNQHZFLC-NSHDSACASA-N 318.808 2.268 0 50 DEAA COc1c(Cl)cc(Cl)cc1C(=O)N1CCN(C)CC1 25557586 FFPTZNVGKYYZMU-UHFFFAOYSA-N 303.189 2.390 0 50 DEAA CCc1noc2ncc(C(=O)N3CCCC[C@H]3[C@H](C)N)cc12 121785455 UEQJDYFNMMAMPF-HZMBPMFUSA-N 302.378 2.127 0 50 DEAA CCCc1ccc(OCc2nc(-c3nonc3N)no2)cc1 39128 KXTCAXDPNHRBKB-UHFFFAOYSA-N 301.306 2.233 0 50 DEAA Nc1ncnc2[nH]c(SCCOc3ccccc3F)nc12 2503565 IZUSIPCOYDRLKW-UHFFFAOYSA-N 305.338 2.245 0 50 DEAA COCCCCCN1C(=O)c2ccc(Cl)cc2S1(=O)=O 282175153 IOTGJUHSZUUUSX-UHFFFAOYSA-N 317.794 2.301 0 50 DEAA COc1ccc(F)c(F)c1C(=O)NCC1(Cn2cccn2)CC1 219957510 GENBKAHJHSLVRP-UHFFFAOYSA-N 321.327 2.380 0 50 DEAA O=C(c1ncc(F)cc1F)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 282451348 HGWVRSRMLVAHNO-GXTWGEPZSA-N 322.286 2.447 0 50 DEAA O=C(N[C@H]1CCc2nc[nH]c2C1)N[C@@H]1CCc2cc(F)ccc21 332871117 WKDRHXQLRVVPHO-GXTWGEPZSA-N 314.364 2.393 0 50 DEAA Cc1oc(-c2ccco2)nc1CC(=O)N[C@H](C)c1ccn(C)n1 458265768 PEAKRCOMFIERIH-SNVBAGLBSA-N 314.345 2.396 0 50 DEAA CC(C)c1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)n(C)n1 236883764 ZAAXCPUCINSJBF-LBPRGKRZSA-N 307.394 2.403 0 50 DEAA O=C1CCC[C@H](CNC(=O)c2c(Cl)cccc2Cl)N1 447744173 JPNKAWLDVJRKJQ-MRVPVSSYSA-N 301.173 2.392 0 50 DEAA Cc1nnc(S)n1CCNC(=O)[C@H](c1ccccc1)C1CC1 156010139 QGRFNOSPMAEMAH-CQSZACIVSA-N 316.430 2.185 0 50 DEAA O=C(NCC1Cc2ccccc2C1)[C@@]1(c2ccccc2)CCNC1 449284038 NGEVXKGQSKURQS-NRFANRHFSA-N 320.436 2.449 0 50 DEAA CCc1nn(C)c(Cl)c1CN1CCC[C@@H](N2CCCC2=O)C1 71681940 ZIMYONGVAVTCIX-GFCCVEGCSA-N 324.856 2.223 0 50 DEAA COc1ccc(-c2cncc(C(=O)Nc3nncn3C)c2)cc1 156957763 SYLYPMQBGUZNAP-UHFFFAOYSA-N 309.329 2.138 0 50 DEAA O=C(O)C[C@@H](NC(=O)[C@H]1CC12CCOCC2)c1cccs1 238149707 UCJVQHBYSRLXQX-GHMZBOCLSA-N 309.387 2.197 0 50 DEAA COCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72153138 NZIJVGHJYVYNSY-BHIYHBOVSA-N 314.429 2.112 0 50 DEAA CO[C@@H]1CCOC[C@H]1NC(=O)C1(c2ccccc2)CCCC1 219320146 PVOXTQDDPVLKJK-HZPDHXFCSA-N 303.402 2.419 0 50 DEAA CO[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C 241965678 UUYOJOMDYJSELW-SOUVJXGZSA-N 320.437 2.451 0 50 DEAA CC1CCC(O)(CN2CCC(OC[C@H]3CCOC3)CC2)CC1 131867768 WQMNPNUQPJCVRA-PQUAAJSLSA-N 311.466 2.445 0 50 DEAA NC[C@@H]1CCCN1C(=O)c1ccc(F)c(COCC2CC2)c1 160264454 JSYWWUNEWRUULJ-HNNXBMFYSA-N 306.381 2.316 0 50 DEAA CCCCCC(=O)CC[C@H]1[C@H](O)C[C@@H](O)[C@@H]1CCC(=O)O 43898832 UIZLUZTVNFGFMX-KBUPBQIOSA-N 300.395 2.139 0 50 DEAA in-vitro CN(Cc1cc(-c2cccnc2)no1)C(=O)Cc1cccnc1 82096192 OBQTXPMBUANQIN-UHFFFAOYSA-N 308.341 2.333 0 50 DEAA CCCN(Cc1nccn1C)C(=O)N[C@H](C)Cc1ccccn1 426711239 GKVHKEHKNFZAKW-CQSZACIVSA-N 315.421 2.368 0 50 DEAA CCc1nc(NC[C@@H](O)COc2ccc(OC)cc2)ncc1C 426503540 PJXPMPBLHCDFTK-CYBMUJFWSA-N 317.389 2.208 0 50 DEAA CCC[C@@H]1CN(C(=O)COc2ccccc2OC)C[C@H]1N(C)C 95516756 PJUPUZLONZKKBE-HUUCEWRRSA-N 320.433 2.263 0 50 DEAA Cc1cc(-n2cccn2)ccc1-c1cn(Cc2ncc[nH]2)nn1 91625366 ZODLFXGKHFJLRN-UHFFFAOYSA-N 305.345 2.211 0 50 DEAA O=C(O)c1ccc([C@H]2CCCN(C(=O)CN3CCCC3)C2)cc1 95387684 LWYAAULEDRJYTB-INIZCTEOSA-N 316.401 2.187 0 50 DEAA Cc1cccc(OC2CN(C(=O)COC[C@@H]3CCCCO3)C2)c1 91321039 JFVLOTQFFWOBKQ-INIZCTEOSA-N 319.401 2.170 0 50 DEAA COCc1cc(NCCCSc2nnc(C)s2)ncn1 92046091 KUJASNJUHLBUNK-UHFFFAOYSA-N 311.436 2.377 0 50 DEAA Cn1c(CCCNC(=O)c2cncs2)nc2ccccc21 346370324 KXYLVVUXFULCCC-UHFFFAOYSA-N 300.387 2.392 0 50 DEAA COc1ccc(NC(=O)CN(C)C[C@@H]2CCN(C)C2(C)C)cc1 244884075 YETOIZYYTAWZDD-AWEZNQCLSA-N 319.449 2.296 0 50 DEAA OC[C@H]1[C@H]2[C@H]3[C@@H]4[C@H]5[C@H](CC[C@@H]52)[C@@H](O)[C@H]4[C@@H]2[C@H]4CCC[C@H]4[C@@H]1[C@@H]32 247720820 AKYMTYCUHLPLQZ-PUSRBKSHSA-N 300.442 2.396 0 50 DEAA CCNC(=O)[C@@H]1CCCN1Cc1cc(O)c2cccc(F)c2n1 253536417 FDAOHSVTZOTOKP-AWEZNQCLSA-N 317.364 2.180 0 50 DEAA Oc1cc([C@H]2C[C@@H](NC3CCN(C4CCCC4)CC3)C2)ncn1 253535015 DIEVCBUNHPSIBP-OTVXOJSOSA-N 316.449 2.425 0 50 DEAA Cc1nc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c(C)o1 298485781 SALQVBUJXQBANY-SNVBAGLBSA-N 305.300 2.048 0 50 DEAA NC(=O)[C@H](c1ccccc1)N1CC[C@H](n2cnc3c2CCCC3)C1 299740786 BSDBPGZMNFATQQ-YJBOKZPZSA-N 324.428 2.235 0 50 DEAA NCc1cc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)co1 261687501 HHWXKGWFADAUHM-OAHLLOKOSA-N 319.792 2.178 0 50 DEAA Cc1cnn([C@H](C)CNS(=O)(=O)Cc2ccccc2F)c1 534581490 YXFVHPJUFTUASA-GFCCVEGCSA-N 311.382 2.011 0 50 DEAA CCC(=O)Nc1ccc(NC(=O)N(C)C[C@@H](C)C(=O)O)cc1 263496280 QXEJQWSZFSOOPE-SNVBAGLBSA-N 307.350 2.220 0 50 DEAA Cc1cccc([C@H]2CCCN(C(=O)CCc3nncn3C)C2)c1 299779957 AXKHQYCERNRSAV-INIZCTEOSA-N 312.417 2.462 0 50 DEAA CC[C@@H](O)Cn1nc(C(C)C)nc1CCc1c(C)nn(C)c1C 822619881 AGQBUKKFOIKVMP-CQSZACIVSA-N 319.453 2.308 0 50 DEAA CN(CCc1nc2ccccc2[nH]1)C(=O)CN1C[C@@H]2CC[C@H]1C2 584899417 DMKUHDCUGZWVQU-KGLIPLIRSA-N 312.417 2.048 0 50 DEAA O=C1OC[C@H]2CN(Cc3cc(C4CCCCC4)no3)CCN12 670462332 OMRUOLAEPKSQPO-CYBMUJFWSA-N 305.378 2.359 0 50 DEAA CN=c1nc(C(=O)N(C)c2cc(OC)ccc2Cl)cc(C)[nH]1 1875276277 UAENDSDFJCWSGQ-UHFFFAOYSA-N 320.780 2.187 0 50 DEAA C=CC(=O)N1CCC(C(=O)NCc2ccc(OCC)cc2)CC1 1875369587 XBEMTILJMSWURF-UHFFFAOYSA-N 316.401 2.126 0 50 DEAA C=CC(=O)N(C)c1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)O)cc1 1875303072 UCZTXTFOTYZDCO-CJNGLKHVSA-N 316.401 2.211 0 50 DEAA C[C@H](NC(=O)[C@H](C)N1CCc2ccccc21)[C@H]1COC(C)(C)O1 1875392564 IOLKDZZDXHNNGH-HEHGZKQESA-N 318.417 2.094 0 50 DEAA O=C(NCCCn1cc(-c2ccoc2)nn1)C1CC2(C1)C[C@@H]2F 1875323252 CLXGUGNNCDQZOL-UGWHAMFMSA-N 318.352 2.183 0 50 DEAA C[C@H]1CN(C(=O)CCCOc2ccccc2)C[C@]1(O)C1CC1 1565511449 GCTSMMSWCJHVMH-KBXCAEBGSA-N 303.402 2.465 0 50 DEAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1noc(C(C)C)n1 275281570 KWCPMWYZNMJPDC-WFASDCNBSA-N 319.409 2.163 0 50 DEAA C[C@H](O)[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2F)C1 305186281 CGRDDUWEYCCFTJ-NWDGAFQWSA-N 317.364 2.449 0 50 DEAA Cc1nc([C@@H]2CCN(Cc3nc(-c4ccccc4)no3)C2)n[nH]1 581356287 GBHPQZCYNJCUTL-CYBMUJFWSA-N 310.361 2.153 0 50 DEAA Cc1nc2ccc(N(C)C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2[nH]1 585080960 IMPVMQUJGOFPCX-UONOGXRCSA-N 309.373 2.371 0 50 DEAA c1cc(CCN2CCN(CCCN3CCCCC3)CC2)ccn1 585133305 FHCJFFQZASWBKH-UHFFFAOYSA-N 316.493 2.118 0 50 DEAA CN1CCC[C@H]1CCNC(=O)c1cc(F)c(F)c(F)c1F 585113785 MCBWJCGEUFBSFS-QMMMGPOBSA-N 304.287 2.457 0 50 DEAA CCC(CC)n1nc(C)cc1C(=O)N1CCNC[C@@H]1C(F)F 644124485 NROHDZWZPLZMHA-CYBMUJFWSA-N 314.380 2.232 0 50 DEAA CCN(CCn1cccn1)C(=O)[C@H](C)n1cnc2ccccc21 1506406686 RDGSOPGLMLYQAX-AWEZNQCLSA-N 311.389 2.343 0 50 DEAA CC[C@H](Nc1cncc(C(=O)N2CCCC2)n1)c1ccnn1C 1529115222 ZQDWBFDQDFMXIO-LBPRGKRZSA-N 314.393 2.009 0 50 DEAA O=C([C@@H]1CCCN[C@@H]1C1CC1)N1CC[C@H](Oc2ccccc2)C1 1615046175 ASKYUILFDGDOII-RCCFBDPRSA-N 314.429 2.445 0 50 DEAA CCc1cc(O)ccc1-c1ccc(C(=O)N2CCOCC2)cn1 1772706015 UQKUDNUJCVWLJO-UHFFFAOYSA-N 312.369 2.489 0 50 DEAA Cc1ccc(-n2nnc(C(=O)N(C)c3ccccc3)c2N)cc1 11690523 REOWHAINFJMAHZ-UHFFFAOYSA-N 307.357 2.435 0 50 DEAA OCC1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1 11934902 XTNCGMUZPXRRGY-UHFFFAOYSA-N 305.353 2.004 0 50 DEAA COc1cccc(-c2cnnc(N[C@H](C)c3cnn(C)c3)n2)c1 14959595 NVVCVBDEFPJBJF-LLVKDONJSA-N 310.361 2.454 0 50 DEAA O=C(Cc1ccccc1Cl)N1CCC(=O)N(CC2CC2)CC1 15000622 OTTKKQPCGFFSLY-UHFFFAOYSA-N 320.820 2.353 0 50 DEAA O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccccn1 16577797 POZATHBXEUKOQY-UHFFFAOYSA-N 314.769 2.494 0 50 DEAA CC1(C)COc2c(CN3C[C@@H]4CC(=O)N[C@@H]4C3)cc(Cl)cc21 1857681323 JCAYLQQAFNSYOM-IINYFYTJSA-N 320.820 2.330 0 50 DEAA OC[C@H]1[C@H]2CN(CCCOCc3ccccc3)C[C@]23CC[C@H]1O3 1857718730 QMCJCHMXGIELRJ-WJFTUGDTSA-N 317.429 2.065 0 50 DEAA C[C@@H]1CC[C@@H](CCC(=O)NCCc2ccc(C(=O)O)cc2)O1 237378716 RDEQTKJBYBZHPB-DOMZBBRYSA-N 305.374 2.391 0 50 DEAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H](n2cccn2)C1 229423545 DAJAPTSFDMAYIY-ARFHVFGLSA-N 321.421 2.021 0 50 DEAA Cc1cccc(C2(CNC(=O)[C@H]3CCNC(=O)C3)CCCC2)c1 153273218 CDSCYSGIBNQBKF-HNNXBMFYSA-N 314.429 2.449 0 50 DEAA CC(C)c1noc(CCC(=O)Nc2cccc(CC(=O)O)c2)n1 263144806 KKMNXPACRAVSIM-UHFFFAOYSA-N 317.345 2.391 0 50 DEAA Cc1cc(C)n(CC(=O)Nc2ccc([C@H](C)C(=O)O)cc2)n1 263186760 HYGGFRXVFIRQCU-LBPRGKRZSA-N 301.346 2.327 0 50 DEAA CCCc1nnc(NC(=O)NCc2cccc(N(C)C)n2)s1 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C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)CC(C)(C)C1 239305888 GDYZQHMAUYZCAF-LEZGYBIHSA-N 309.406 2.196 0 50 DEAA Cn1nccc1NC(=O)NCCCN1CCCc2ccccc21 96179761 QTQCUZMGCVAHCJ-UHFFFAOYSA-N 313.405 2.385 0 50 DEAA C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCOC2(CCC2)C1 246352848 FWEBPJXJWUAMIK-CABCVRRESA-N 309.454 2.071 0 50 DEAA CNC(=O)c1noc(CN2CC[C@@H](c3cccc(Cl)c3)C2)n1 244678909 IMCTVRUCQIXQOH-LLVKDONJSA-N 320.780 2.072 0 50 DEAA CCc1noc(NC(=O)N[C@@H]2CCN(c3ccccc3F)C2)n1 296915447 WYXJBENLQDUAKF-SNVBAGLBSA-N 319.340 2.172 0 50 DEAA O=C(CCCn1cccn1)NC[C@@H]1CCCN2CCCC[C@H]12 257198527 BHQWQTOOBSZEJI-JKSUJKDBSA-N 304.438 2.044 0 50 DEAA biogenic O=C(Nc1ccc(Cl)c(OC(F)F)c1)Nn1cnnc1 253424694 JTIOCXQHWMVBFV-UHFFFAOYSA-N 303.656 2.309 0 50 DEAA Cc1cc(=O)cc(C(=O)N[C@H]2CCCN(C3CCCC3)C2)o1 299771169 VSWDPXHHRZYSMH-ZDUSSCGKSA-N 304.390 2.085 0 50 DEAA Cc1nonc1CC(=O)N[C@H](C)c1nc2c(s1)CCCC2 299786074 MRTSZAWULAEKST-SECBINFHSA-N 306.391 2.133 0 50 DEAA O=C(CCCc1ccccc1)N[C@H]1COC[C@@H]1N1CCCCC1 299755060 CDDJDIOCHSIROV-ROUUACIJSA-N 316.445 2.379 0 50 DEAA Cc1nc(-c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)n(C)n1 584903043 DQHRSRRQZWXKFM-TXEJJXNPSA-N 314.389 2.040 0 50 DEAA CCN1CCN(Cc2nnc(-c3ccc(C)n3C)o2)CC1(C)C 670442939 JXPXCZOJXBLMNI-UHFFFAOYSA-N 317.437 2.300 0 50 DEAA COc1cc(CN(C(=O)/C=C/CN(C)C)C2CC2)ccc1O 270832072 JJABCCONRISKTN-SNAWJCMRSA-N 304.390 2.010 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@H]32)C1 630155874 JNGMUFWPCVLZAB-HKSFMPNISA-N 305.761 2.159 0 50 DEAA O=C(O)c1ccc(F)c(NC(=O)c2cnn(CC3CC3)c2)c1 630144501 HZVWBROWFBCLLO-UHFFFAOYSA-N 303.293 2.383 0 50 DEAA O=C1CN(C(=O)c2cc(C3CC3)ccn2)[C@H](c2ccccc2)CN1 1875295036 CFWVLGVVHCNMSJ-KRWDZBQOSA-N 321.380 2.272 0 50 DEAA O=C(NC1C[C@@H]2CN(c3ncccn3)C[C@H]2C1)c1ccccc1 1875329571 DBTHJWWPOQBPAX-HUUCEWRRSA-N 308.385 2.121 0 50 DEAA CCc1nc(C)c(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)o1 1875395188 QFGDQJFXQHZEGR-WCBMZHEXSA-N 318.377 2.221 0 50 DEAA c1ccc(N2CC[C@@H](NCc3cn4c(n3)SCC4)C2)cc1 952969775 GGXKNCDKIGTXQS-CYBMUJFWSA-N 300.431 2.357 0 50 DEAA O=C(c1ccc(-c2cn[nH]c2)cn1)N1CCOC[C@@H]1CC1CC1 886474068 IQZLYWKEHDEXGF-HNNXBMFYSA-N 312.373 2.113 0 50 DEAA Cc1ccc(C(=O)N[C@H]2CCC[C@H]2Oc2cn[nH]c2)c(C)n1 1775957640 FPZJLNPBMLDPRD-LSDHHAIUSA-N 300.362 2.151 0 50 DEAA CC(C)[C@H](N)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 167088347 IGAITLGZIDYHPK-HNNXBMFYSA-N 312.360 2.318 0 50 DEAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Cc1ccc(Cl)cc1 275283656 FJVMHXNGNBTADC-ZFWWWQNUSA-N 319.792 2.262 0 50 DEAA CC(C)C[C@H]1C(=O)NCCN1c1ncnc2cccc(F)c12 275537221 ZJHHSBPFOIAGKQ-ZDUSSCGKSA-N 302.353 2.120 0 50 DEAA O=C1C[C@H](c2nc(-c3cccs3)no2)CN1c1cn[nH]c1 186398252 ADPGZQPTUQBGIF-QMMMGPOBSA-N 301.331 2.042 0 50 DEAA Cc1ccc(C(=O)N2CC[C@]3(CCc4ccccc4O3)C2)nn1 582712072 GEBPBHWEFXVVTC-GOSISDBHSA-N 309.369 2.395 0 50 DEAA CCCC[C@@H]1NC(=O)N(CCOc2ccc(Cl)cn2)C1=O 170592748 QLQACNDYXIKXBH-NSHDSACASA-N 311.769 2.224 0 50 DEAA CO[C@@H]1CCC[C@H](OC(=O)C[C@@H](NC(N)=O)c2ccccc2)C1 221736898 GCGMMTQNOQLICC-QLFBSQMISA-N 320.389 2.287 0 50 DEAA Nc1nnc([C@@H]2CCCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)C2)o1 585127851 LAXILEBRKZPKQN-WUHRBBMRSA-N 304.394 2.184 0 50 DEAA O=C(C[C@H]1CCCNCC1)N1CCc2nc(C3CC3)ncc2C1 638607609 RFYIIJFMSLWXMF-ZDUSSCGKSA-N 314.433 2.019 0 50 DEAA Cc1noc(C)c1[C@@H](C)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 193003857 XQQOEBCBFUOYDJ-MRVPVSSYSA-N 320.349 2.050 0 50 DEAA Cn1cc(-c2nn(C)cc2C(=O)NCC2CCC(F)CC2)cn1 648630147 ITWHYXLJKQPRHZ-UHFFFAOYSA-N 319.384 2.079 0 50 DEAA CCC(CC)(CNC(=O)c1cccc2c1OCCCO2)C(=O)O 652064293 KFCGZCVGHYSELG-UHFFFAOYSA-N 321.373 2.469 0 50 DEAA CCC[C@H](C(=O)O)n1ccc(NC(=O)c2ccc(C)n2C)n1 659186927 CBORKXYJMXBWNA-GFCCVEGCSA-N 304.350 2.208 0 50 DEAA CCc1nn(C)c(NC(=O)c2cc(-c3ccccn3)[nH]n2)c1C 1506419565 FTQZTKSMVVCEIG-UHFFFAOYSA-N 310.361 2.328 0 50 DEAA CCc1c(C)nn(C)c1NC(=O)[C@H]1CCCCN1C(=O)C1CC1 1506401924 OUELCPQRHHSHNG-CQSZACIVSA-N 318.421 2.021 0 50 DEAA Cc1ncc(CN(CCO)C(=O)CCc2cccc(Cl)c2)[nH]1 1704316104 VOCSNZAIIUIJNI-UHFFFAOYSA-N 321.808 2.325 0 50 DEAA CCC1(CNC(=O)[C@@H]2Cc3cc(C)ccc3S2(=O)=O)CCC1 1614948920 YPOSHYGFKNDRRB-HNNXBMFYSA-N 321.442 2.390 0 50 DEAA CN1CCN(c2nc(-c3ccccc3)ns2)C[C@]12CCOC2 1615592184 RNJPBYAOFIFUPD-INIZCTEOSA-N 316.430 2.116 0 50 DEAA C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 12002093 ZOPISKDOFNFRTN-ZDUSSCGKSA-N 322.430 2.234 0 50 DEAA CC(C)C(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C 12381948 HHZOYWYTVLSBLF-UHFFFAOYSA-N 316.405 2.000 0 50 DEAA CSc1nnc(CN(C)Cc2ccco2)n1C[C@@H]1CCCO1 12279241 VHCREDIUKYUUCK-ZDUSSCGKSA-N 322.434 2.404 0 50 DEAA Cn1nc(C(=O)NCc2nc3ncccc3o2)c2ccccc21 1857674857 ALHXKLCHNYSEDC-UHFFFAOYSA-N 307.313 2.040 0 50 DEAA O=C(N[C@H](c1ccccn1)C(F)(F)F)c1ccn2ncnc2c1 1857678831 BEWWXYIGCZKXIE-GFCCVEGCSA-N 321.262 2.158 0 50 DEAA Cc1csc(=O)n1CCc1nc(-c2ccc(O)cc2)no1 225555224 GIAXRBORIBCFJJ-UHFFFAOYSA-N 303.343 2.217 0 50 DEAA CC1(C)C[C@H](O)CCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 606445640 WUTCTOWMEZISGQ-MRVPVSSYSA-N 305.300 2.052 0 50 DEAA Cc1nc([C@H]2CCCCN2C(=O)c2cccc3c2OCO3)n[nH]1 407980993 QDSMJOJTUROFAQ-GFCCVEGCSA-N 314.345 2.209 0 50 DEAA CC(C)[C@H]1CN(C(=O)COCc2ccccc2)C[C@@H]1N(C)C 709939334 TWAJIPHGJDQBQI-SJORKVTESA-N 304.434 2.248 0 50 DEAA Cn1nccc1C(=O)N1CCC[C@H]1COc1ccc(F)cc1 225766848 YDNBUTOGNMPJDP-ZDUSSCGKSA-N 303.337 2.243 0 50 DEAA C[C@H](NC(N)=O)c1noc(C[C@@H]2CCCc3ccccc32)n1 331981715 BFZUQVAUIJPXPE-JQWIXIFHSA-N 300.362 2.462 0 50 DEAA CC(C)(C[C@@H]1CCCN(c2ncnc3c2CCCC3)C1)C(N)=O 649400700 JCFFIWBRHMJBIV-ZDUSSCGKSA-N 316.449 2.473 0 50 DEAA C[C@@H](Oc1ccc(C(=O)NCCC(N)=O)cc1)c1ccccc1 252487466 HWMDLNJIELSYIG-CYBMUJFWSA-N 312.369 2.432 0 50 DEAA CC(C)NC1CCN(C(=O)NCc2cn3ccsc3n2)CC1 264711974 DSRXBHRAMPXUCU-UHFFFAOYSA-N 321.450 2.068 0 50 DEAA COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 208351 CVRDFIPRWZJCLQ-UHFFFAOYSA-N 319.382 2.051 0 50 DEAA COc1ccccc1[C@@H]1C[C@H]1C(=O)NCCc1nnc(C)s1 936024379 JCCKKXWKNSQBJU-QWHCGFSZSA-N 317.414 2.318 0 50 DEAA CCc1ncc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)s1 492065880 UCJOHFYRARBOEV-VXGBXAGGSA-N 302.465 2.151 0 50 DEAA c1cc(-n2cc(CO[C@@H]3CCCNC3)nn2)c2cccnc2c1 2325765491 XEKUOZAQIHVCER-CQSZACIVSA-N 309.373 2.084 0 50 DEAA CC[C@H](CS(C)(=O)=O)NC(=O)[C@H](C)c1ccc(F)cc1F 2325766824 GGULVMUEROIXII-MWLCHTKSSA-N 319.373 2.008 0 50 DEAA C[C@@H]1CCn2c(C(=O)NCC3(CC(=O)O)CCCC3)cnc2C1 2325798927 JYJKEFHARFGZMP-GFCCVEGCSA-N 319.405 2.230 0 50 DEAA CN(C(=O)NCC1C[C@H]2CCC[C@@H]2C1)C1CCS(=O)CC1 2325799787 XQBFMOSRGPLWQV-UCZRJGPTSA-N 312.479 2.365 0 50 DEAA Cc1ccoc1C(=O)N1CCN(C(=O)[C@@]23CCC[C@@H]2C3)C[C@@H]1C 2325839225 MCXGYMCLZOQNCN-PMUMKWKESA-N 316.401 2.451 0 50 DEAA CC(C)(C)c1cnc(CCC(=O)N2CC[C@@H]3[C@H](C(=O)O)[C@@H]3C2)o1 910847622 GAKWSGRQVKQCFL-RWSFTLGLSA-N 320.389 2.084 0 50 DEAA C=CC(=O)Nc1ccc(O)c(C(=O)Nc2cnc(C3CC3)nc2)c1 1464796853 CZLMLYPUFTUNPI-UHFFFAOYSA-N 324.340 2.436 0 50 DEAA Cc1ccc(C(=O)N2CCOCC2)cc1NCc1ccccn1 151160189 QBQVDBRGEGZGCS-UHFFFAOYSA-N 311.385 2.475 0 50 DEAA CC(C)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 796204 CIVQBWIWYNTBSZ-UHFFFAOYSA-N 324.446 2.420 0 50 DEAA Cc1ocnc1-c1nnc2n1[C@H](C)C(=O)N(Cc1ccccc1)C2 2356157165 CLQNQNKORCKDCG-LLVKDONJSA-N 323.356 2.345 0 50 DEAA Cc1ccc(F)c(C(=O)NC[C@@H](O)c2cccc(O)n2)c1Cl 2356157438 KQPFZYNFGXFWBR-LLVKDONJSA-N 324.739 2.352 0 50 DEAA O=C(O)c1cc(NC(=O)c2ccccc2F)cc(C(=O)O)c1 4701021 XEEVMFABTRHMHI-UHFFFAOYSA-N 303.245 2.474 0 50 DEAA Cc1ccnc(N2CCN(CCO[C@H]3CCCCO3)CC2)c1 225530425 FAWZWQTZPWSLLM-KRWDZBQOSA-N 305.422 2.055 0 50 DEAA CCCCNC(=O)c1cnc2sc3c(n2c1=O)CCCC3 10327206 PWJDHVZPNCCFNG-UHFFFAOYSA-N 305.403 2.165 0 50 DEAA C[C@@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1ncc[nH]1 225631846 DXFIVCUZHTXMRN-ZBFHGGJFSA-N 300.406 2.134 0 50 DEAA CC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1 101362863 VYTIHJCAZFZCNH-YXAMBPQSSA-N 311.337 2.314 0 50 DEAA COc1ccc(C)cc1NC(=O)Cn1ncc2ccccc2c1=O 8240378 ASGVKCPJRDMJDC-UHFFFAOYSA-N 323.352 2.352 0 50 DEAA Cc1cc(NC(=O)CCN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)no1 246869764 ULTLILDZEVYIJU-UPJWGTAASA-N 321.377 2.029 0 50 DEAA COCc1ccc(C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OC)cc1 247854566 SWOLCLVPFAGBCJ-JONQDZQNSA-N 317.385 2.151 0 50 DEAA O[C@@H]1CCC[C@@H]1[C@H]1COCCN1CCc1ccc2c(c1)CCO2 345754811 AUSRXBFPPFEYTL-KZNAEPCWSA-N 317.429 2.026 0 50 DEAA COc1cc(OC)c(OC)cc1CN1CCN2CCC[C@@H]2[C@@H]1C 22078264 SSEQCNMXUZEZGH-DZGCQCFKSA-N 320.433 2.381 0 50 DEAA COC(=O)c1ccc(-c2ccc(CNCCN(C)C)o2)cc1 20661034 XOBVFJYBSIDYPR-UHFFFAOYSA-N 302.374 2.384 0 50 DEAA CCn1c(S)nnc1[C@H]1CCCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 252515731 NAWUOMLRDOADDS-WUHRBBMRSA-N 320.462 2.339 0 50 DEAA CCc1ccc2occ(C(=O)N3CCN(C)C(=O)[C@@H]3C)c2c1 354831015 YVSIFHAKHGAAEQ-NSHDSACASA-N 300.358 2.298 0 50 DEAA S=C(NCc1ccccc1)N1CCN(c2ccccn2)CC1 2582299 KGXMDSNLIPNQHY-UHFFFAOYSA-N 312.442 2.278 0 50 DEAA CCn1cc(CNC(=O)Cc2ccc(OC)c(OC)c2)c(C)n1 2760855 CKASKLUXDWXTOR-UHFFFAOYSA-N 317.389 2.088 0 50 DEAA COc1cccc([C@H]2C[C@H](O)CN2Cc2nc(C)ccc2O)c1 282689018 IVMZNUVHMIMZEA-WMLDXEAASA-N 314.385 2.412 0 50 DEAA OCCN1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 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303.410 2.206 0 50 DEAA Cc1ncsc1CCNc1cncc(C(=O)N2CCCC2)n1 1529151748 LYKJTABXGBVVPX-UHFFFAOYSA-N 317.418 2.132 0 50 DEAA NC[C@H]1CCN(C(=O)c2c(F)cccc2Br)C1 122419477 KBEJWEVFAUQTKC-MRVPVSSYSA-N 301.159 2.009 0 50 DEAA C=CC(=O)N1CCC(C(=O)N(CC(F)F)C2CCC2)CC1 1875367025 MNMZDAQCYQHHCM-UHFFFAOYSA-N 300.349 2.057 0 50 DEAA COc1nc2c(cc1CN1C[C@H]3C[C@]3(C)C1)C(=O)N(C(C)C)C2 1775979593 XGJMQUNODLFGGW-FZKQIMNGSA-N 315.417 2.296 0 50 DEAA COCc1nnc(NC[C@H]2CCN(Cc3ccccc3)C2)o1 1772709786 QKENGAQLDBXVAW-CQSZACIVSA-N 302.378 2.150 0 50 DEAA COCCn1nc(-c2ccccn2)nc1-c1cccnc1N(C)C 1857667015 IOCHEHLVTDCBFS-UHFFFAOYSA-N 324.388 2.115 0 50 DEAA CCCc1sc(C(=O)NC[C@@H]2CCN(C(N)=O)C2)cc1CC 408516666 NDBVPPYAPABGAW-NSHDSACASA-N 323.462 2.393 0 50 DEAA CC[C@H](N[C@H](C)c1ccc(-n2cnnn2)cc1)[C@@H]1CCCO1 110704560 MSSCMYBIZDMZRI-KCXAZCMYSA-N 301.394 2.271 0 50 DEAA CNCC(=O)NC(c1cccc(OC)c1)c1cccc(OC)c1 225474399 RXZMUFSDSGZVAE-UHFFFAOYSA-N 314.385 2.129 0 50 DEAA Cc1cc(C(=O)N[C@H]2CCNC2(C)C)nn1-c1ccc(F)cc1 423738984 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308.297 2.453 0 50 DEAA O=C(NCCCc1ccccc1)N1CCC[C@@]2(CCNC2)C1 416792521 CFIKVUDKKMSEKW-SFHVURJKSA-N 301.434 2.404 0 50 DEAA C[C@@H](NC(=O)N1CCC2(CCOCC2)C1)c1ccnc(O)c1 458858315 PQTRMALBXLRDIP-GFCCVEGCSA-N 305.378 2.060 0 50 DEAA Cc1cc(CC(=O)N(C)Cc2n[nH]c3c2CCCCC3)on1 223890785 BXRCPSUJUKZGEO-UHFFFAOYSA-N 302.378 2.176 0 50 DEAA CN(C)Cc1cnc(CNC[C@@H]2COc3ccccc32)s1 342426671 LSHTVYXIWCNOSK-GFCCVEGCSA-N 303.431 2.471 0 50 DEAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2Cc3ccccc32)C1 246009832 SYQRFBDQJOJZEZ-LZLYRXPVSA-N 313.445 2.452 0 50 DEAA CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cccnc1 497134264 VRDGOLJMCZIJQI-KGLIPLIRSA-N 317.389 2.306 0 50 DEAA CCS(=O)(=O)Nc1ccccc1C(=O)N1CC[C@H](C)[C@@H]1C 178164133 VWTWWXXMHKTORL-RYUDHWBXSA-N 310.419 2.319 0 50 DEAA O=C(O)[C@@H](c1ccc(N2CCCCC2)nc1)N1CCSCC1 95388756 BMIVZPAZKORGTM-OAHLLOKOSA-N 321.446 2.246 0 50 DEAA Cc1ccc(-c2nc(CN3C(=O)OC(C)(C)C3=O)no2)cc1 95531479 YRWPNIIAHQEWDJ-UHFFFAOYSA-N 301.302 2.302 0 50 DEAA Cc1ccccc1OC1CN(C(=O)c2c(C)nc3ncccn23)C1 91964988 OSAFMBLUVUCZIE-UHFFFAOYSA-N 322.368 2.250 0 50 DEAA O=C(NCCc1noc(C(F)(F)F)n1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 426488028 OGDGEJLQPUUTED-KHUJYXKRSA-N 315.295 2.039 0 50 DEAA C[C@H]1CN(C(=O)c2ccc(-c3c[nH]ccc3=N)cc2)C[C@@H](C)O1 426571371 DFTGSJQZUQEYSV-BETUJISGSA-N 311.385 2.411 0 50 DEAA CCc1nnc(N2CC[C@]3(CCCN(C(C)C)C3=O)C2)s1 91677083 FRWHKVSQSYQZPC-OAHLLOKOSA-N 308.451 2.328 0 50 DEAA CN(C)CC(C)(C)CNC(=O)[C@H](c1ccc(F)cc1)N(C)C 95384651 SSSBBOSLMZIOBK-HNNXBMFYSA-N 309.429 2.132 0 50 DEAA CCCc1cncnc1N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 91665408 NWVDWDIYGKSGFT-KDOFPFPSSA-N 319.449 2.433 0 50 DEAA CC[C@@H](NC(=O)CN1CCCCCCC1)c1ncnn1CC 534653780 PJDKZGRVIIIHEG-CQSZACIVSA-N 307.442 2.131 0 50 DEAA Cc1csc(CCCNC(=O)c2cc(C(C)C)nc(N)n2)n1 299786760 NCDHNXJCVLVPSP-UHFFFAOYSA-N 319.434 2.310 0 50 DEAA CCn1cc(NC(=O)N[C@H](C)c2cn3ccsc3n2)cn1 299800177 TWUKOGLGMJFDCJ-SECBINFHSA-N 304.379 2.495 0 50 DEAA O=C(O)c1cc(Br)nc(N2CCSCC2)c1 725347965 WFVIHXIMHKPFQH-UHFFFAOYSA-N 303.181 2.096 0 50 DEAA O=C(NCCc1cc2ccccc2[nH]1)NO[C@@H]1CCCCO1 164512459 LHNVRRJTWZAZAX-OAHLLOKOSA-N 303.362 2.468 0 50 DEAA C[C@@H]1C[C@H](CNc2ccc(C3CC(=O)NC(=O)C3)cc2)CCO1 1875265545 GNBXVOWDUNLSAG-CHWSQXEVSA-N 316.401 2.434 0 50 DEAA COc1ccc2c(c1)C[C@@H](C)N2C(=O)c1nc2ncc(C)cn2n1 1875272549 DTUULPTWEMFULB-LLVKDONJSA-N 323.356 2.033 0 50 DEAA CN=[S@]1(=O)CCC[C@@]2(CCCN2C(=O)c2ccoc2C)C1 1875395670 IKBRGOKKSKEEPT-BTYIYWSLSA-N 310.419 2.454 0 50 DEAA C[C@@H](C(=O)Nc1c[nH]nc1Br)c1cncc(F)c1 1875357238 XZRCYNWMNNEHQS-ZCFIWIBFSA-N 313.130 2.449 0 50 DEAA Cn1nccc1C(=O)Nc1ccccc1OC[C@H]1CCCO1 952982573 BBDQGHNLTYTWBT-GFCCVEGCSA-N 301.346 2.230 0 50 DEAA CCS(=O)(=O)CCNC(=O)[C@H](C)Sc1ccc(C)cc1 952989713 WTECUSZZLXRPAZ-LBPRGKRZSA-N 315.460 2.027 0 50 DEAA C[C@H](NCc1ccc(N(C)C)nc1)c1nc(-c2ccncc2)no1 952982705 RDBQMPKTFHLWTA-LBPRGKRZSA-N 324.388 2.443 0 50 DEAA Cc1c([C@@H]2[C@@H](C(=O)O)CC(=O)N2C[C@H]2CC=CCC2)cnn1C 886096950 SSZIEVBTVOVNOU-XEZPLFJOSA-N 317.389 2.059 0 50 DEAA Cc1c(/C=C/c2nnc([C@]3(OC(C)C)CCOC3)o2)cnn1C 886082218 MBRQBXWYKDSWDG-JFDDCEBESA-N 318.377 2.323 0 50 DEAA COc1ccc(CN2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)nc1 888102622 CFFYHSNJGMXHMQ-CVEARBPZSA-N 316.405 2.392 0 50 DEAA Cc1cc(=NC(=O)N2Cc3ccccc3NC(=O)[C@@H]2C)cc(C)[nH]1 1335981169 HEBQGTCTCGVALX-ZDUSSCGKSA-N 324.384 2.495 0 50 DEAA CCN(C(=O)c1cc(-c2ccn(C)n2)on1)c1cccnc1C 1339029256 VDRGNDXPBWGCIQ-UHFFFAOYSA-N 311.345 2.445 0 50 DEAA CCc1nn(C)c(Cl)c1CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 1775985474 NDEILTVVSLJQIK-MFKMUULPSA-N 323.828 2.321 0 50 DEAA CSCCC(=O)N[C@H]1CCOC[C@@H]1Oc1cccc(F)c1 1565506451 HWWYNZFQXYRPGR-KBPBESRZSA-N 313.394 2.231 0 50 DEAA CCCCN1C(=O)CC[C@@H]2CN(Cc3cnn(C)c3)CC[C@@H]21 1565528733 YMDNVJKELKEZRX-CVEARBPZSA-N 304.438 2.033 0 50 DEAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)C(C)(C)N1CCCC1 1565516284 IQVHUMRXJAIONB-HOTGVXAUSA-N 324.465 2.117 0 50 DEAA CCc1cc(CC(=O)Nc2cccc(F)c2C(=O)O)n(C)n1 899539845 FSWSQWXXCZEXME-UHFFFAOYSA-N 305.309 2.001 0 50 DEAA Cc1ccccc1OCCC(=O)NCCc1c(C)n[nH]c1C 1362822963 TZTQVDWWHFEAQD-UHFFFAOYSA-N 301.390 2.463 0 50 DEAA CC(C)[C@@H]1OCCC[C@H]1C(=O)NCCOc1ncccc1F 408474918 YDXPQCVWDGFVEZ-OCCSQVGLSA-N 310.369 2.167 0 50 DEAA CCN(c1ccc(C)nn1)S(=O)(=O)c1ccc(F)c(F)c1 170617432 BPRDWVGUYZOIMM-UHFFFAOYSA-N 313.329 2.278 0 50 DEAA COc1cc(CN[C@@H](Cc2ccccc2)C(=O)O)cc(OC)c1 170612740 ZNEIWBUBACJLJY-KRWDZBQOSA-N 315.369 2.489 0 50 DEAA Cc1cccnc1CNC(=O)Nc1ccc2c(c1)CC(=O)N2C 194101833 NVPWIIGEAGGPMM-UHFFFAOYSA-N 310.357 2.231 0 50 DEAA COc1cc(OC)cc(-c2cccc(N3CC[C@H](O)C3=O)c2)c1 665220076 QOCIXMWDHDULNJ-KRWDZBQOSA-N 313.353 2.468 0 50 DEAA O=C(Cc1cccc(C(=O)O)c1)N[C@@H](C1CC1)C(F)(F)F 668305696 UISNOPISGFPGKC-LBPRGKRZSA-N 301.264 2.384 0 50 DEAA CCOC(=O)C1([C@H](C)NCc2nncn2-c2ccccc2)CC1 585117827 YKPYCFOGCPZBTI-ZDUSSCGKSA-N 314.389 2.089 0 50 DEAA Cc1cc(Cl)ccc1CN1CCC[C@@](O)(Cn2ccnn2)C1 794004438 HLWMAUPDSFTNCX-INIZCTEOSA-N 320.824 2.267 0 50 DEAA Cc1cc(C)n(C[C@H](C)N2CCN(Cc3ccco3)CC2)n1 1506399947 KVPXUEICXFLALY-INIZCTEOSA-N 302.422 2.299 0 50 DEAA CCCc1nc(N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)no1 1506414213 DJHHKSYZSWHKGT-LBPRGKRZSA-N 306.410 2.249 0 50 DEAA O=C(Nc1cnn[nH]1)[C@H]1C[C@@H]1c1cccc(Br)c1 1857530065 OHTWKVDMHNUMPN-ZJUUUORDSA-N 307.151 2.309 0 50 DEAA NCC1CCN(C(=O)c2c(F)cccc2Br)CC1 122374286 XMBOAABOFYWGPN-UHFFFAOYSA-N 315.186 2.399 0 50 DEAA Cc1ccc(C(=O)N2C[C@@H](N)C3(CCC3)C2)cc1-c1cnn(C)c1 1614617885 PRQHPOWAUJXXCP-QGZVFWFLSA-N 324.428 2.349 0 50 DEAA COC(=O)c1cc(I)c(Cl)cc1N 34531996 ZGCFYZJEPDVXQD-UHFFFAOYSA-N 311.506 2.313 0 50 DEAA in-vitro CC(=O)c1cnc(NC2CCN(C[C@H]3CCCO3)CC2)nc1C 1772703764 PXIUKKFOOCFASY-OAHLLOKOSA-N 318.421 2.043 0 50 DEAA COCCCNC(=O)c1ccc(NC(=O)c2ccncc2)cc1 12406016 MEGPHQJBCLVLAI-UHFFFAOYSA-N 313.357 2.100 0 50 DEAA O=C(NC1CC1)[C@@H]1CCCN(C2CCN(C3CCCC3)CC2)C1 12443678 NKSGUBNSCXUYEB-OAHLLOKOSA-N 319.493 2.384 0 50 DEAA NS(=O)(=O)c1ccc(NC(=O)c2sccc2Cl)cc1 163110526 VSJKYSSAHMESOU-UHFFFAOYSA-N 316.791 2.301 0 50 DEAA NC(=O)C1(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)CC1 12576070 LZWCXYVNDWYFFB-CQSZACIVSA-N 318.392 2.262 0 50 DEAA Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1ccccc1Cl 13724027 WTESAJVARCFXRQ-NSHDSACASA-N 320.780 2.138 0 50 DEAA CCCCN(C)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 14743869 WCHSBZPMJPNKID-CQSZACIVSA-N 318.465 2.245 0 50 DEAA CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CCC1=O 14968653 RCSXVKZVTSLAPJ-UHFFFAOYSA-N 314.307 2.400 0 50 DEAA CC(C)(C)C(=O)Nc1nc2nc(-c3ccccc3)cc(O)n2n1 18221981 ODJCOAOPIRFBID-UHFFFAOYSA-N 311.345 2.482 0 50 DEAA O=C1C[C@@H](N2CCSCC2)C(=O)N1c1cccc(Cl)c1 19731754 HIJALBKNCANTCV-GFCCVEGCSA-N 310.806 2.021 0 50 DEAA Cc1ccc2c(C(=O)N3C[C@@H](CCO)[C@@H](CO)C3)csc2c1 1649367846 ZYHMGTGLYMNWBO-CHWSQXEVSA-N 319.426 2.273 0 50 DEAA O=C(c1onc2ncccc12)N1CCC(C2CCNCC2)CC1 1857670793 ZKLWZOGOPKWYNL-UHFFFAOYSA-N 314.389 2.075 0 50 DEAA COC(=O)[C@@H](NC(=O)c1cc(C)ncc1OC)c1ccccc1 1857679632 ZVMNFPFFRYPEOB-HNNXBMFYSA-N 314.341 2.043 0 50 DEAA O=C(NCc1cc(=O)[nH]c2ccccc12)c1c(O)cccc1F 225400386 XYWUZWXKHDITOI-UHFFFAOYSA-N 312.300 2.303 0 50 DEAA CCc1ncc(CN(C)S(=O)(=O)N2CCC[C@@H](C)C2)s1 229612020 OYJQTAXSNPCYPL-LLVKDONJSA-N 317.480 2.114 0 50 DEAA Cc1ccccc1-n1ncc(C(=O)N(C)C2CCNCC2)c1C 237116093 RHXVECKXSOIGFL-UHFFFAOYSA-N 312.417 2.313 0 50 DEAA COC[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C(C)C)C1 352152150 ALHWWQHKGQRKLS-IAGOWNOFSA-N 320.433 2.311 0 50 DEAA CCOc1cc(N2C[C@H](O)C[C@H]2c2cccc(OC)c2)ncn1 253396074 KHKYSYMGFPGTNK-HIFRSBDPSA-N 315.373 2.196 0 50 DEAA C[C@@H]1COCCCN1C(=O)Nc1ccn(-c2ncccc2F)n1 677637892 LEKHDRDSIGBYHK-LLVKDONJSA-N 319.340 2.049 0 50 DEAA C[C@@](N)(C(=O)N1C[C@@H](CN)[C@H](c2ccccc2)C1)c1ccccc1 261856383 VWPHDTFMORTIEL-KPFFTGBYSA-N 323.440 2.061 0 50 DEAA Cc1oc(CNC(=O)[C@H]2COc3ccccc32)cc1C(=O)O 376509931 SXLVJPHOAVFOOX-ZDUSSCGKSA-N 301.298 2.079 0 50 DEAA CCN(CC1CC1)C(=O)c1c[nH]n2c1nc(=O)c1ccccc12 264885222 YZDCVKHGHHUQJB-UHFFFAOYSA-N 310.357 2.048 0 50 DEAA COC(=O)[C@@H](NC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 36379579 ZAHCOLUHCNSWJD-ZDUSSCGKSA-N 314.426 2.173 0 50 DEAA in-vitro O[C@@H](c1ccccc1)c1cnn(Cc2nc(CC3CC3)no2)c1 902854716 ZDGQIFYRHLISBM-KRWDZBQOSA-N 310.357 2.349 0 50 DEAA O=C(O)Cc1ccccc1CN1CCOC[C@@H]1C[C@@H]1CCCO1 903943771 FHDXFGQVXHVUKP-IRXDYDNUSA-N 319.401 2.084 0 50 DEAA CS[C@@H]1CN(c2cncc(Br)c2)C[C@H]1N(C)C 271654627 SWUOPPAJHWCUDQ-VXGBXAGGSA-N 316.268 2.326 0 50 DEAA Cc1cc(=O)cc(C(=O)N=c2[nH]n(C)c3cccc(Cl)c23)o1 2100482501 DMIOXXUSWAQFDI-UHFFFAOYSA-N 317.732 2.163 0 50 DEAA NC1CC(c2cn(C3(c4ccc(F)cc4)CCOCC3)nn2)C1 2325770636 OUXCIIPWNTUKDW-UHFFFAOYSA-N 316.380 2.176 0 50 DEAA Cn1nc(C(=O)O)c2c1CN(Cc1cccc3ccoc13)CC2 2325791964 MKWDFLGEXSQGMM-UHFFFAOYSA-N 311.341 2.423 0 50 DEAA O=C(O)[C@H](Cc1cccc(O)c1)NC(=O)N1CCCCCCC1 2325792418 ZZKGLKPEWQCOKF-HNNXBMFYSA-N 320.389 2.364 0 50 DEAA C[C@@H](N)c1ccc(Nc2ncc(F)c(=NCC(F)F)[nH]2)cc1 2325800094 OXRDOCXKDLFEKJ-MRVPVSSYSA-N 311.311 2.478 0 50 DEAA CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2)cc1 2028636 UJDZRORFHYYPJG-UHFFFAOYSA-N 319.338 2.225 0 50 DEAA COc1ccc(CC[C@@H](C)NCCCN2CCOCC2)cc1 2497784 CFEDHAYTUYQKJQ-MRXNPFEDSA-N 306.450 2.328 0 50 DEAA CCOCC(=O)N=c1nc(SCc2ccccc2)s[nH]1 2356137062 QDYBEEFJYLKDIM-UHFFFAOYSA-N 309.416 2.227 0 50 DEAA CCN(CC)C(=O)c1cccc(-c2nc(-n3ccnc3)n[nH]2)c1 2356156846 SZYVSTOKGMSJLV-UHFFFAOYSA-N 310.361 2.139 0 50 DEAA N=c1n(N)c2ccccc2n1CC(=O)c1ccc(Cl)cc1 4663142 ZPYTWNNSVJTHJA-UHFFFAOYSA-N 300.749 2.172 0 50 DEAA O=C(CC[S@@](=O)NCc1ccccc1)NCc1ccccc1 4950949 FXVDNSCJHGVWIZ-QFIPXVFZSA-N 316.426 2.146 0 50 DEAA CCn1ccc(CNC(=O)N(C)CCc2ccccc2OC)n1 413632788 SYIFQXVZZPEVTR-UHFFFAOYSA-N 316.405 2.296 0 50 DEAA CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1 10314576 AOPLISQSCKTAOL-UHFFFAOYSA-N 308.334 2.450 0 50 DEAA O[C@H](CNc1nnc(-c2ccon2)s1)Cc1ccccc1 225819671 FXFBGRUCMHTEDX-NSHDSACASA-N 302.359 2.209 0 50 DEAA COc1cc(CNCCOc2ccccn2)cc(OC)c1OC 57354913 SJXXKWHTMNZGCD-UHFFFAOYSA-N 318.373 2.276 0 50 DEAA CCCc1cc(O)n2nc(NC(=O)c3cccs3)nc2n1 9203025 ITVSHYKGXRXZPK-UHFFFAOYSA-N 303.347 2.096 0 50 DEAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C(N)=O 247328322 MFGYKMKTPSIHEU-VGWMRTNUSA-N 300.402 2.259 0 50 DEAA C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1C[C@H]1C 248204735 AFXKAOSEWKZDMQ-NUJGCVRESA-N 315.461 2.359 0 50 DEAA Cc1sccc1CC(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O 346524887 KRPVNXHPAAJTQR-CHWSQXEVSA-N 315.460 2.071 0 50 DEAA CN1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1CCO 104425419 JMJZSQPRCCYYHS-CQSZACIVSA-N 302.340 2.204 0 50 DEAA O=C(c1cnccn1)N1CCC[C@@H]1CN1CCc2ccccc21 140403713 LPIZDTASYWHKDF-OAHLLOKOSA-N 308.385 2.144 0 50 DEAA COCCN1CCC(c2nccn2Cc2cccnc2)CC1 67867673 JBDIKEGASONXBN-UHFFFAOYSA-N 300.406 2.152 0 50 DEAA Cc1cc(C)c(-n2cccn2)c(CN2CCC(=O)NC[C@H]2C)c1 67934910 SRWZTUKYKALEFS-OAHLLOKOSA-N 312.417 2.200 0 50 DEAA CCn1ncnc1[C@H]1CC(=O)Nc2[nH]nc(-c3cccs3)c21 65398241 OHVUZZAHJHCWER-QMMMGPOBSA-N 314.374 2.224 0 50 DEAA Cc1nonc1C(=O)N1CCC(c2cc(C(C)C)n[nH]2)CC1 67654549 FNMZCDHVWUFRQM-UHFFFAOYSA-N 303.366 2.244 0 50 DEAA CN(C)c1ncc(CNC[C@H]2COC3(CCCCCC3)O2)n1C 253424257 CEUBQONBWZJDQR-HNNXBMFYSA-N 322.453 2.042 0 50 DEAA 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Cn1ccnc1CCN1CCC(OCc2cccnc2)CC1 1506431493 MJOVMATWLSJWLI-UHFFFAOYSA-N 300.406 2.039 0 50 DEAA Cc1nnc(NCC2CCN(CCO)CC2)c2ccccc12 1506408227 CIVIRTLODZNNIT-UHFFFAOYSA-N 300.406 2.054 0 50 DEAA Cn1nc(C2CC2)cc1CNC(=O)[C@@H]1OCCc2ccccc21 1615038676 APVIIBMYKAHKAP-QGZVFWFLSA-N 311.385 2.228 0 50 DEAA O=C(O)[C@]12CCOC[C@H]1CN(CCCCc1ccccc1)C2 1772702323 VMGBTQVQHJZCQN-AEFFLSMTSA-N 303.402 2.432 0 50 DEAA CCCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N 5793282 XFMCFBHAAOWUQU-UHFFFAOYSA-N 319.434 2.374 0 50 DEAA CC(C)(C)c1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)CO2 5097487 ANUHXLBQTKLJBT-UHFFFAOYSA-N 316.401 2.332 0 50 DEAA Cc1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1N 5993227 YGZTURCEDQDUFT-UHFFFAOYSA-N 319.434 2.329 0 50 DEAA O=C(O)c1ccccc1N1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 18190098 KWSVYBROBOEDLZ-GXSJLCMTSA-N 305.717 2.407 0 50 DEAA CCN1CCN(CC(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 19744648 IRQBXYJBZGFMAA-CYBMUJFWSA-N 309.841 2.155 0 50 DEAA O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc2sccc2c1 19787725 UGTMHFPFSAGVIQ-JTQLQIEISA-N 309.412 2.066 0 50 DEAA CC[C@H](C)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 528643 IDWYDYJYVFMLOU-LBPRGKRZSA-N 313.419 2.230 0 50 DEAA C[C@@H](c1ccccc1Cl)N(C(=O)C[C@@H](CN)CO)C1CC1 328598359 LTLCDTZQLBYZJU-RYUDHWBXSA-N 310.825 2.349 0 50 DEAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cnc(C(C)(C)C)nc2)C1 643772504 DNKNNMXHOZGBHN-KGLIPLIRSA-N 315.421 2.459 0 50 DEAA CC(C)Cn1ncc2cc(C(=O)N3C[C@H](F)[C@H](F)C3)cnc21 452687934 OACPTHBBANPRPE-BETUJISGSA-N 308.332 2.219 0 50 DEAA C[C@@H]1CN(C(=O)CNc2ccccc2Cl)CC[C@@H]1C(=O)O 659224348 CXLPYXNKFQGGKI-MNOVXSKESA-N 310.781 2.321 0 50 DEAA C[C@@H](NS(=O)(=O)c1cccnc1)c1ccccc1N(C)C 585139360 MVWFCBGNBLCSIJ-GFCCVEGCSA-N 305.403 2.187 0 50 DEAA Cc1ccccc1[C@H](CO)NC(=O)c1cc(C(F)F)n(C)n1 935206369 LEYFZIVAWQNDHQ-LBPRGKRZSA-N 309.316 2.130 0 50 DEAA C[C@H](N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1cnn(C)c1 225408746 UQRXVNZTYCMIHT-RYUDHWBXSA-N 308.426 2.326 0 50 DEAA Cn1cc(NC(=O)N2CCC[C@H]2c2cc(F)ccc2F)nn1 2325781667 YXFXIAIELGAXDQ-LBPRGKRZSA-N 307.304 2.462 0 50 DEAA C[C@H]1CCNC(=O)[C@H]1NC(=O)CCc1cccc2ccccc12 868057387 LSQZWYGZYKDWPA-UGSOOPFHSA-N 310.397 2.413 0 50 DEAA Cc1nc2ccccc2c(=O)n1NC(=O)C(Cl)(Cl)Cl 545748 CUTVNNYVXCVUOQ-UHFFFAOYSA-N 320.563 2.145 0 50 DEAA Cc1cscc1-c1cnc2c(N3CC[C@H](O)C3)nccn12 2356139813 ZDZNTWXQWCDKBV-NSHDSACASA-N 300.387 2.337 0 50 DEAA C[C@H](OC1CCCCCC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 225422664 CWGHSHJPJVBXJW-NUEKZKHPSA-N 322.449 2.384 0 50 DEAA CSCC[C@H](NC(=O)Cc1c(C)[nH]c2ccccc12)C(=O)O 8765248 BNLMCNZEKQFLNJ-AWEZNQCLSA-N 320.414 2.341 0 50 DEAA biogenic Cn1cnnc1CCNC(=O)CC12CC3CC(CC(C3)C1)C2 55393272 UJRRAPHGLOVLAR-UHFFFAOYSA-N 302.422 2.080 0 50 DEAA CN(CCc1ccncc1)C(=O)[C@H](O)c1ccc(Cl)cc1 57633874 FRNVQFBUZKCQRA-OAHLLOKOSA-N 304.777 2.470 0 50 DEAA CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C(=O)NC2CC2)C1(C)C 248196366 PXJBEPZZWDBUBU-QLFBSQMISA-N 304.434 2.494 0 50 DEAA Cc1cc(C)n2nc(C)c(C(=O)NCc3c(C)noc3C)c2n1 62522196 QKDNNQBVQJFUHH-UHFFFAOYSA-N 313.361 2.189 0 50 DEAA CCc1ncc2c(n1)CN(C(=O)c1ccc(NC(C)=O)cc1C)C2 67934446 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CC(C)c1nc(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)cs1 331860646 RUSYMWHPIZSPOI-SECBINFHSA-N 322.390 2.375 0 50 DEAA COc1ccc(F)cc1C(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 155871966 XLRHYQMLVPPBSF-WFASDCNBSA-N 306.381 2.391 0 50 DEAA CN(Cc1cccc(OC(F)(F)F)c1)Cc1nncn1C 128156251 RSRRGNVYTFEEEN-UHFFFAOYSA-N 300.284 2.346 0 50 DEAA O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12)N[C@@H]1CC12CCOCC2 333215218 KXCLBYIUBQDFEY-YLFCFFPRSA-N 312.413 2.441 0 50 DEAA Cc1ccc(NC(=O)[C@H]2C[C@H](C(=O)O)CN(CC(C)C)C2)cn1 71736335 YMAKFOVQNBZNMX-KBPBESRZSA-N 319.405 2.007 0 50 DEAA Cc1cc(NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)nnc1C 374073911 GACKBGVXVGFFDA-ZNMIVQPWSA-N 318.421 2.641 0 50 DEAA CCc1ccc(CCC(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)cc1 72144592 CDNBRTVKZRYFNS-SFHVURJKSA-N 316.401 2.235 0 50 DEAA CN(C)C(=O)c1ccc(CN[C@@H]2CCc3ccccc3OC2)[nH]1 374545647 YDQVIRQTBKDBAH-OAHLLOKOSA-N 313.401 2.200 0 50 DEAA NC(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1C(F)(F)F 375411741 GRIYZSLBFHIPNB-NXEZZACHSA-N 320.698 2.076 0 50 DEAA O=C(O)CN(C(=O)c1ccc(N2CCCCCC2)nc1)C1CC1 238087900 YELNVLCOLZOZHG-UHFFFAOYSA-N 317.389 2.151 0 50 DEAA Cc1c[nH]c(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)c1 71776522 RJKCINHZTRJGQV-MRXNPFEDSA-N 317.433 2.432 0 50 DEAA CCCc1nnc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)o1 71715296 HDHWOJWGUXSDGI-LBPRGKRZSA-N 301.346 2.098 0 50 DEAA CCCOc1cc(S(=O)(=O)N[C@H](CC)CO)ccc1Cl 41096262 HNOVQTUDUIFGMW-SNVBAGLBSA-N 321.826 2.178 0 50 DEAA C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N1CC[C@H](n2cccn2)C1 291132617 AYZNDUWZZNQZSR-HEHGZKQESA-N 312.373 2.362 0 50 DEAA CC[C@@]1(CNC(=O)c2cncnc2C)OCCc2ccccc21 291113524 CUKVFEUWXYSWGE-SFHVURJKSA-N 311.385 2.393 0 50 DEAA Cc1c([C@@H](C)NC(=O)N(C)CCc2ccccn2)cnn1C 47007017 UZGDIQYHZUVJQA-GFCCVEGCSA-N 301.394 2.069 0 50 DEAA CCCc1cc(C(=O)N[C@H](C)Cc2ncccc2C)n(C)n1 82109072 UYLZKNUDODBDNP-CYBMUJFWSA-N 300.406 2.437 0 50 DEAA O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1ccc[nH]1 244574934 CTUUDRXFDFSILR-VBQJREDUSA-N 312.369 2.192 0 50 DEAA CC(C)c1cc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)nc(N)n1 299798817 URYFQRNOTBJESJ-UHFFFAOYSA-N 316.409 2.133 0 50 DEAA Cc1cccc2oc(CNC(=O)C3(Cn4ccnc4)CC3)nc12 299773962 GVERSWQDSWTGRT-UHFFFAOYSA-N 310.357 2.429 0 50 DEAA Cc1cc(=O)c2c(o1)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 828244735 KQUYPDZBNMJAFN-JTQLQIEISA-N 300.266 2.118 0 50 DEAA biogenic COC(=O)c1cc(O)cc(C(=O)N2CCO[C@@H](CC(C)C)C2)c1 584894032 BLDFTLYJUCCDHV-HNNXBMFYSA-N 321.373 2.066 0 50 DEAA Nc1nc(N)c2c(n1)NC(=O)C[C@@H]2c1cccc2ccccc12 670416153 SCTNDHBSYVBHSC-GFCCVEGCSA-N 305.341 2.268 0 50 DEAA O=C(OCc1noc(C2CC2)n1)c1nn2cccnc2c1Cl 1875299764 VHMKMDYRVHZYPX-UHFFFAOYSA-N 319.708 2.000 0 50 DEAA C[C@H](CCc1ccncc1)NC(=O)[C@]1(O)CCc2ccccc2C1 1875297175 FNFUIEZYYWFUOT-QRWLVFNGSA-N 324.424 2.439 0 50 DEAA Cc1cccc(-n2cc(C3CN(C(=O)C4CC4)C3)nn2)c1F 1875344963 QDKNKKRGHPKYBB-UHFFFAOYSA-N 300.337 2.051 0 50 DEAA O=C(NC[C@@H]1C[C@H]2C[C@@H]1C[C@H]2O)Nc1nc2c(s1)CCC2 1875303645 GXIZTIZKUJNLDV-MWGHHZFTSA-N 307.419 2.160 0 50 DEAA C=CC(=O)N(C)CC(=O)N[C@@H](C)c1cc(Cl)cc2c1OCC2 886699858 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2.181 0 50 DEAA C1CC(c2noc(CN3CCC(N4CCCOCC4)CC3)n2)C1 931285262 KVRSUPQFPGHQGM-UHFFFAOYSA-N 320.437 2.024 0 50 DEAA COc1cc(NC(=O)NC[C@@H]2CCCCN2C2CC2)ccn1 931387945 OOUUEVKGSVKJER-AWEZNQCLSA-N 304.394 2.229 0 50 DEAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1NCCC1OCCO1 253369836 IQKZBDXEEZCGAL-DOTOQJQBSA-N 304.434 2.250 0 50 DEAA CN1C(=O)C2(CCOCC2)NC12CCC1(CC2)COC(C)(C)C1 2325770593 GNJGYRHQFIZNAP-UHFFFAOYSA-N 322.449 2.053 0 50 DEAA CO[C@@H]1CC(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)C[C@H]1OC 2325814950 WHBKRCIVSRQJPT-ZJIFWQFVSA-N 307.365 2.238 0 50 DEAA C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2nccc3ccsc23)[C@@H]1C 911811148 VBLDGJNHMGWEJY-IVZWLZJFSA-N 303.387 2.034 0 50 DEAA O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccccn1 472015 RDEWFVVFEXZNBJ-HNNXBMFYSA-N 302.717 2.148 0 50 DEAA CC(C)[C@H](NC(=O)NCCc1c[nH]c2ccccc12)C(=O)O 2102995 BHEOONAHJPDLMN-AWEZNQCLSA-N 303.362 2.119 0 50 DEAA biogenic COC(=O)C1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)CC1 4820601 BPRITJYXGXYPLC-ZWKOTPCHSA-N 321.417 2.184 0 50 DEAA CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1ccccc1 100325546 NVFZLZINXBEXLY-CQSZACIVSA-N 318.398 2.301 0 50 DEAA CC(C)CNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248144699 DOHXWLPGUBLKKQ-KFWWJZLASA-N 320.433 2.125 0 50 DEAA CCc1nc(C(=O)N2CCN(c3cccc(OC)c3)CC2)co1 346536659 SYYXPQGDISANAI-UHFFFAOYSA-N 315.373 2.208 0 50 DEAA CCN1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 22922979 WEZUQMVTROZEDN-KRWDZBQOSA-N 320.477 2.361 0 50 DEAA CCN(C)c1ccnc(N2Cc3cnc(CC(C)C)nc3C2)n1 67774527 NTESXGOGWFEUJU-UHFFFAOYSA-N 312.421 2.441 0 50 DEAA CC(=O)c1cccc(-n2c(O)nnc2Cc2ccc(O)cc2)c1 67851414 AXFOQLPKKJVSCB-UHFFFAOYSA-N 309.325 2.472 0 50 DEAA COC[C@H](NCc1nc2ccc(C)c(C)c2[nH]1)c1ccnn1C 67756088 XUZJWYDTWAYMSQ-AWEZNQCLSA-N 313.405 2.391 0 50 DEAA CCN(CC)C(=O)[C@@H]1C[C@H](n2cc(C3CCCCC3)nn2)CN1 67674128 GZDJLRDPHOIFSG-GJZGRUSLSA-N 319.453 2.097 0 50 DEAA O=C1CCC[C@H](C(=O)Nc2cccc(NCC(F)(F)F)c2)N1 424057773 JZJSQWKQGQDDFN-LLVKDONJSA-N 315.295 2.268 0 50 DEAA CSc1ccccc1C(=O)N1CCN(C2CCOCC2)CC1 175860750 HTRCLUSJIYXQTK-UHFFFAOYSA-N 320.458 2.345 0 50 DEAA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1csnn1 328628394 NSQSJPOPCYMZIJ-VIFPVBQESA-N 308.432 2.495 0 50 DEAA Cn1nccc1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 77536068 ZNWHTKVNZAHWGP-CYBMUJFWSA-N 317.364 2.490 0 50 DEAA CC(C)Cc1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)n(C)n1 71638894 TWRHQPLQYKTBFA-LBPRGKRZSA-N 319.327 2.022 0 50 DEAA N=C(O)c1csc(C(=O)N2CCC(n3ccnc3)CC2)c1 331907447 JWHIQZBMHCSYIN-UHFFFAOYSA-N 304.375 2.305 0 50 DEAA COc1cccc(C(=O)N2CC[C@H](c3nc(C)no3)C2)c1OC 332081037 LBPAIEUGAZESPN-NSHDSACASA-N 317.345 2.025 0 50 DEAA COc1ccccc1CNC(=O)c1cnn(C)c1-n1cccc1 30877148 KMEDOCVOMTZRJK-UHFFFAOYSA-N 310.357 2.149 0 50 DEAA NC(=O)c1c[nH]c(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1 371572342 HCSRHDHYQPALAO-HVHJFMEUSA-N 309.369 2.432 0 50 DEAA CC1(C)[C@H](NC(=O)CCc2ccc(C(=O)O)cc2)[C@@H]2CCO[C@H]21 262348826 AWJRYOKUABSNME-NUEKZKHPSA-N 317.385 2.247 0 50 DEAA Cc1ccc2c(C)c(C(=O)N3CCOC[C@@H](CO)C3)oc2c1 77456429 NJHKKPJZLHLOBI-CYBMUJFWSA-N 303.358 2.131 0 50 DEAA CCOc1cncc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n1 129337910 OYKCPKCUGKWHGH-SMDDNHRTSA-N 321.327 2.466 0 50 DEAA CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCN(c2cnn(C)c2)C1=O 242346868 ZJUHQXQVLAXZSC-IMJJTQAJSA-N 302.422 2.107 0 50 DEAA CO[C@@H]1C[C@@H](CO)N(c2ncc(Br)cc2Cl)C1 284601836 REZVTXCRCONTLQ-DTWKUNHWSA-N 321.602 2.084 0 50 DEAA CC[C@@H](C(=O)O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 263559950 BGVPEHFAUZLLRX-ZJUUUORDSA-N 305.300 2.402 0 50 DEAA COC(=O)c1ccc2c(c1)CN(c1ccnc3c1cnn3C)CC2 342938773 NOAHTZAKKARAFT-UHFFFAOYSA-N 322.368 2.318 0 50 DEAA CC[C@H](NS(=O)(=O)c1c(C)cccc1Cl)C1CC(O)C1 220521692 HGTDENFMFXJTMW-XIVSLSHWSA-N 317.838 2.476 0 50 DEAA Cc1ccc(NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)cn1 612666001 XBPWSGJVZZTGKM-ZIAGYGMSSA-N 300.362 2.230 0 50 DEAA Cc1noc(-c2ccccc2OCC(=O)NCc2ccco2)n1 46012368 PZLFXQLDHGTXSV-UHFFFAOYSA-N 313.313 2.333 0 50 DEAA CCOC[C@@H](O)CNC(=O)c1ccc(-c2ccc(C)nc2)cc1 426443086 DTQNDRKSSDQCIP-KRWDZBQOSA-N 314.385 2.184 0 50 DEAA O=C(CCc1cnccn1)NC[C@@H]1CCOc2ccccc2C1 426615413 IKKSDHYBYHNSMG-CQSZACIVSA-N 311.385 2.167 0 50 DEAA C[C@H]1CN(C(=O)c2ccc(-c3cnc(O)nc3)cc2)CCCO1 426552063 UADDKAVZYWRPRK-LBPRGKRZSA-N 313.357 2.100 0 50 DEAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ccc3c(c1)OCO3)C2 91526554 GPPIGLBLSRLALL-LSDHHAIUSA-N 316.401 2.248 0 50 DEAA Cc1cnccc1NCCNC(=O)[C@H]1CCCN(C(C)C)C1 95364198 CHJUJWVWBIIZNH-HNNXBMFYSA-N 304.438 2.039 0 50 DEAA O=C(NC[C@@H]1CCCO1)Nc1cccc2c1OC(F)(F)O2 96163335 LQLNQYWYBVJYNQ-QMMMGPOBSA-N 300.261 2.309 0 50 DEAA Cc1cc(C)n([C@H]2CCN(C(=O)c3ncc(F)cc3F)C2)n1 91505846 HCRZWQOQRGESIV-LBPRGKRZSA-N 306.316 2.260 0 50 DEAA Cc1nc2c(c(N3CC[C@@H](N(C)C)C3)n1)Cc1ccccc1OC2 95527815 ZLWHWVHZMIXLCD-OAHLLOKOSA-N 324.428 2.409 0 50 DEAA N[C@H](C(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1)c1ccccc1 230462557 VMJCSMOZRRTJSA-NJAFHUGGSA-N 313.445 2.162 0 50 DEAA Cn1cncc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 96148379 BWLPRXPLCRYGBD-UHFFFAOYSA-N 305.403 2.262 0 50 DEAA O=S(=O)(Cc1cccc(F)c1)NCC1(c2ccccn2)CC1 184908896 GGRFQCPDOHVPIB-UHFFFAOYSA-N 320.389 2.372 0 50 DEAA CSCc1noc(CN2CCN(C3CCCCC3)CC2)n1 252495655 OVCHIYIATHBHCD-UHFFFAOYSA-N 310.467 2.383 0 50 DEAA COC[C@](C)(CC(=O)O)NC(=O)CSc1ccccc1C 262096968 GKRHLJYRFXPCMI-HNNXBMFYSA-N 311.403 2.083 0 50 DEAA COC[C@@H]1CCCN1S(=O)(=O)NC1(C2CCCCC2)CC1 824371036 NVRLRXALJMBGSJ-AWEZNQCLSA-N 316.467 2.045 0 50 DEAA CCCCn1nc(CC(N)=O)nc1-c1c(OC)ccc(F)c1F 822888741 ITDMQEHHGBQMNP-UHFFFAOYSA-N 324.331 2.060 0 50 DEAA O=C(OCC1CC1)N1CC(c2ncc(Br)cn2)C1 1875275532 ITMNXMRQDXDNNQ-UHFFFAOYSA-N 312.167 2.185 0 50 DEAA CC(=O)c1cccc(S(=O)(=O)NC(=O)/C=C(\C)C(C)C)c1 1875276403 BQZKHVLDXUKUHF-DHZHZOJOSA-N 309.387 2.296 0 50 DEAA C[C@H]1Cc2cnccc2N1C(=O)c1c[nH]c(C(=O)N2CCCC2)c1 1454534419 NLNUXAPZIQBGOM-LBPRGKRZSA-N 324.384 2.237 0 50 DEAA C/C=C/c1cn(CCCCCNC(=O)[C@H]2OCC2(C)C)nn1 1875323220 BPZHAVCOEXWUQO-YOIVXCQUSA-N 306.410 2.023 0 50 DEAA COC(=O)[C@H]1CCN(C(=O)N2CCCC2)c2ccc(OC)cc21 1875317213 RTPHROKMFQYTFE-ZDUSSCGKSA-N 318.373 2.378 0 50 DEAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](COC)C2)c1 952884774 NZOZNMBZEQJTPL-LBPRGKRZSA-N 318.373 2.015 0 50 DEAA Oc1n[nH]c([C@@H]2[C@@H](C3CC3)CCN2c2ncnc3ccccc23)n1 1875400046 PVIPQQHXUVQPQV-RISCZKNCSA-N 322.372 2.431 0 50 DEAA Cc1c(NC(=O)CC(C)C)cccc1NC(=O)[C@H]1C=CCN1 952991558 UHRCGNPUBLUBNP-OAHLLOKOSA-N 301.390 2.446 0 50 DEAA CC(C)[C@@H](NC(=O)c1noc2c1CCCC2)c1cnn(C)c1 885435382 XQBOJKQBDGPMAA-CQSZACIVSA-N 302.378 2.414 0 50 DEAA O=C(N[C@H](CO)c1ccccc1C(F)(F)F)c1cnsn1 886562929 JJNSYMSDJOWSOA-SNVBAGLBSA-N 317.292 2.020 0 50 DEAA O=C(Nc1cnn(C2CCC2)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 889064752 PPBJPTKFQWUHAF-GFCCVEGCSA-N 316.405 2.338 0 50 DEAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2ccc(F)cn2)C1 1775957081 BTTVCTCUDIMALE-DOTOQJQBSA-N 317.364 2.284 0 50 DEAA CC(C)(NC(=O)c1cc(F)c(Cl)cc1F)c1nc[nH]n1 1775994210 YLQZFSUPBRMHRY-UHFFFAOYSA-N 300.696 2.401 0 50 DEAA CC(C)Cn1c(C(N)=O)nnc1N1CC[C@H](c2ccccc2)C1 1776006690 ZEMPIUYNFBGCSO-AWEZNQCLSA-N 313.405 2.027 0 50 DEAA COc1nsc(CNc2cnc(C)c(C(N)=O)c2)c1Cl 1461690311 ZKERJOLOHDKQLG-UHFFFAOYSA-N 312.782 2.220 0 50 DEAA C[C@]1(CCCO)CCCN1c1ccc2nnc(C(F)F)n2n1 273189983 CLZIZQBLPJHQBH-CQSZACIVSA-N 311.336 2.193 0 50 DEAA CCc1nnc2n1CCN(C(=O)c1cccc3cc(O)ccc13)C2 630939298 CANZNJYVGTYEBS-UHFFFAOYSA-N 322.368 2.355 0 50 DEAA O=C(c1cccc(-n2ccnc2)c1)N(C[C@@H]1CCCN1)C1CC1 186539652 FWZFVLMWQIWKHG-HNNXBMFYSA-N 310.401 2.229 0 50 DEAA O=C(c1ccncc1Cl)N1CCc2ccccc2[C@H]1CO 170084014 SKQVKDJJOXEVJV-OAHLLOKOSA-N 302.761 2.467 0 50 DEAA FC(F)c1nnc2ccc(N3CCC[C@H](n4ccnc4)C3)nn12 676079047 BQROKYDWBQZFNR-JTQLQIEISA-N 319.319 2.100 0 50 DEAA CO[C@]1(C)CCCN(C(=O)c2cccc3[nH]c(=O)oc23)CC1 279866093 DEEPKYOFKAGXME-MRXNPFEDSA-N 304.346 2.152 0 50 DEAA CC[C@@H](NC(=O)c1csc(Br)n1)[C@@H](O)C(C)C 585131885 JCAUFQQMHFAJSA-APPZFPTMSA-N 321.240 2.431 0 50 DEAA CCc1cc(O)ccc1NC(=O)[C@H]1COCCN1CC1CCC1 191083852 VPZKPLPSWPUCSQ-QGZVFWFLSA-N 318.417 2.394 0 50 DEAA Cn1nc(C2CC2)nc1CC(=O)N1CC[C@@H](Cc2ccccc2)C1 648299432 OVYUGBXNUVSYRU-HNNXBMFYSA-N 324.428 2.326 0 50 DEAA CNC[C@@H]1CCCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 195123874 RTIGRZAGHHEZDE-JSGCOSHPSA-N 322.836 2.349 0 50 DEAA Cc1ccc([C@H](NC(=O)N2C[C@@H](F)C[C@H]2CO)C(F)(F)F)o1 654242802 VKAZIIKOLLJPEL-QXEWZRGKSA-N 324.274 2.306 0 50 DEAA CNC(=O)c1ccc(CN2[C@@H](C)CC[C@@H](C(=O)O)[C@H]2C)cc1 662225081 SIPKTLYKQBZOCX-YWPYICTPSA-N 304.390 2.120 0 50 DEAA CC(C)[C@H]1CN(C(=O)C2(CO)CC2)C[C@@H](c2ccccc2)O1 1529105932 KJIBFICPTULSFA-CVEARBPZSA-N 303.402 2.384 0 50 DEAA Cc1ccc([C@H](C)C(=O)N(CCN(C)C)Cc2cnc[nH]2)cc1 1704314863 WOENTJCADVGLRC-HNNXBMFYSA-N 314.433 2.412 0 50 DEAA O=C(N1CC[C@@H](CSc2ccccc2)C1)C(F)(F)CO 1615605457 MGYPJLKLRNECCP-LLVKDONJSA-N 301.358 2.255 0 50 DEAA OCC1(CO)[C@H]2CN(Cc3ccccc3OC3CCCC3)C[C@H]21 1772813201 VGATZIYXNNDSGB-CALCHBBNSA-N 317.429 2.041 0 50 DEAA C[C@H](NC(=O)C(=O)NCCc1ccc(F)cc1)c1ccccc1 5368743 FEWZHAAOAZNJOW-ZDUSSCGKSA-N 314.360 2.362 0 50 DEAA CCSc1nnc([C@@H](C)NC(=O)c2csc(C)n2)n1C 12022060 DEFVMYJDWIADGI-SSDOTTSWSA-N 311.436 2.183 0 50 DEAA CN(Cc1cccc2cnccc12)C(=O)CCN1CCCC1=O 19641514 SBKMJMACKBFOCC-UHFFFAOYSA-N 311.385 2.206 0 50 DEAA Cc1cc2c(N[C@@H]3C[C@H]4CO[C@@H](C)CN4C3)ncnc2s1 1857734888 XAZDEYOINQLBLH-WCQGTBRESA-N 304.419 2.273 0 50 DEAA OCc1cn([C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)nn1 451070934 PZJGYJDPMBKVSK-MRXNPFEDSA-N 320.824 2.303 0 50 DEAA COc1ccc(C)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100628707 XKAKQQOHKFSFDM-AZHAFVHUSA-N 301.342 2.465 0 50 DEAA COc1ccc2c(CC(=O)N3CCCC[C@H]3C(=O)O)coc2c1 237266818 BUQHFVXWGXFTOI-AWEZNQCLSA-N 317.341 2.450 0 50 DEAA COc1ccc(CNC(=O)C2[C@H]3CCCC[C@H]23)cc1C(=O)O 237305300 YBRUPVNVBCVZNW-RYUDHWBXSA-N 303.358 2.446 0 50 DEAA Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1CCC(=O)O 237590932 BJNVQKSEZCJCIA-CYBMUJFWSA-N 308.378 2.470 0 50 DEAA O=C(Cc1csc2ccccc12)N1CC[C@](F)(C(=O)O)C1 262055648 AYBYZGPLEJFWCG-OAHLLOKOSA-N 307.346 2.469 0 50 DEAA CCc1noc(CC)c1CNC(=O)C12CCC(C(=O)O)(CC1)C2 909558906 WIIPHXYKGHLHJF-UHFFFAOYSA-N 320.389 2.451 0 50 DEAA O=C(NCCc1nc2ccccc2s1)[C@H]1NCC12CCCC2 852776271 IIANZZNXSHSESS-OAHLLOKOSA-N 315.442 2.487 0 50 DEAA 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COc1cc(CO)c(OCc2noc3c2CCCC3)c(CO)c1 183790233 KPFGUJAKFMJOHW-UHFFFAOYSA-N 319.357 2.126 0 50 DEAA O=C(CCCc1cccs1)N[C@H]1COC[C@@H]1N1CCCC1 534668503 QACYYSHZXZRYSR-GJZGRUSLSA-N 308.447 2.050 0 50 DEAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)CCCn1cccn1 299754416 KUPGUSGRPUNXBB-SJORKVTESA-N 318.465 2.386 0 50 DEAA biogenic CCc1c(-c2cccc(C(=O)NC[C@@H]3CCCN3)c2)cnn1C 299760256 ILXVSTNDMKCKJB-HNNXBMFYSA-N 312.417 2.131 0 50 DEAA CNC(=O)C[C@@H](C)NCc1ccc(C(=O)OC(C)(C)C)cc1 268928177 LRVGZWSHTGPPPZ-GFCCVEGCSA-N 306.406 2.256 0 50 DEAA CO[C@@H](C)CCNC(=O)N(C)Cc1nc2ccc(C)cc2[nH]1 584887721 YXVNYBQUGXCCIN-LBPRGKRZSA-N 304.394 2.438 0 50 DEAA CCc1nc(CCNC(=O)c2ccc(Cn3cccc3)cc2)no1 584888796 RLHULCHYIRACPY-UHFFFAOYSA-N 324.384 2.454 0 50 DEAA Cc1nc[nH]c1C(=O)N1CCC(c2nc(C(C)C)no2)CC1 584892178 AAFBXMQGMNRHIC-UHFFFAOYSA-N 303.366 2.244 0 50 DEAA CN(Cc1nnc(O)o1)Cc1cnc(N(C)C)c2ccccc12 585136832 URXMCSPRUZUGEG-UHFFFAOYSA-N 313.361 2.021 0 50 DEAA CC(C)(C)c1ccc(C(=O)C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 165383989 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0 50 DEAA CC[C@]1(O)CCCN(S(=O)(=O)c2cc(C)sc2C)C1 632666400 UKLHLNNFWALLCN-ZDUSSCGKSA-N 303.449 2.291 0 50 DEAA O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC[C@H](O)C1 170090651 RVCJTSTVBGAAIE-ZBFHGGJFSA-N 303.402 2.012 0 50 DEAA CCOC(=O)CCN(C)C(=O)c1cnc(-c2ccccc2)o1 585135734 YYLYFVFGZICTBK-UHFFFAOYSA-N 302.330 2.367 0 50 DEAA COc1nc(C)cc(N2CCC[C@H](c3nnc4ccccn34)C2)n1 680619938 FMQGWSKSPAKGIU-ZDUSSCGKSA-N 324.388 2.220 0 50 DEAA C[C@@H](C(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccc(Cl)s1 191010190 BESJNDBSFCOTDC-BDAKNGLRSA-N 317.794 2.207 0 50 DEAA COc1ccccc1C(=O)N[C@H](C(=O)O)[C@@H]1CCC[C@@H](OC)C1 581261995 UPEASLPYLPJSLU-JMSVASOKSA-N 321.373 2.083 0 50 DEAA COc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cn1 1529178495 MRWXUGISUMVVTA-SJLPKXTDSA-N 314.385 2.025 0 50 DEAA CC(C)CC(C)(C)NC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529114678 SIDVLKMEXNUWSC-CVEARBPZSA-N 318.417 2.184 0 50 DEAA Cc1cc(C[C@@H]2CN(Cc3sccc3Cl)C[C@@H]2O)n[nH]1 1529174845 YMDINKMYIJDDQC-MFKMUULPSA-N 311.838 2.468 0 50 DEAA 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2325777358 ZIAJNPDDFCHEEN-HUUCEWRRSA-N 307.401 2.208 0 50 DEAA C[C@H](Cc1ccccc1)NC1=NS(=O)(=O)c2ccccc21 210558 FORVLEPUBBQLQS-GFCCVEGCSA-N 300.383 2.356 0 50 DEAA Cc1ccc(C2=NN(CC(=O)NCCC(C)C)C(=O)CC2)cc1 220044 HKCJIPBMTGZJRD-UHFFFAOYSA-N 315.417 2.484 0 50 DEAA aggregator COCCCNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 2831870 WVAZNGUCKRQOOV-UHFFFAOYSA-N 305.161 2.085 0 50 DEAA O=C(NCc1ccccc1)[C@H]1CC(=O)N(C2CCCCC2)C1 3061068 VLJJBVHJRQUQEJ-HNNXBMFYSA-N 300.402 2.484 0 50 DEAA CCN(CC)CCNC1=NCCn2c1cc1cc(OC)ccc12 4994704 PZORWDLCQBQHBL-UHFFFAOYSA-N 314.433 2.342 0 50 DEAA COc1ccc(CNS(=O)(=O)c2cccs2)cc1OC 6145908 MGAHZLQQYUTJSA-UHFFFAOYSA-N 313.400 2.244 0 50 DEAA C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCC[C@H]1c1ccncc1 246740160 YLZOVZANLJYSDE-BMFZPTHFSA-N 319.405 2.122 0 50 DEAA CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680478 FGFKZGUNWFPCRY-UHFFFAOYSA-N 316.448 2.063 0 50 DEAA CCN1CCOC(=O)[C@H]1CC(=O)Nc1cc(Cl)ccc1C 54244994 RUXGUJIXJCDZTE-CYBMUJFWSA-N 310.781 2.224 0 50 DEAA CCOc1ccc(C(=O)NCCNc2ccc(C)nn2)cc1 57791745 PMTVSUXFOMLZAF-UHFFFAOYSA-N 300.362 2.026 0 50 DEAA CCSc1nc(CC(=O)N2CCC[C@@H](C(=O)O)C2)cs1 55342776 GNKWAUWXFYGPEE-SECBINFHSA-N 314.432 2.121 0 50 DEAA CCCc1nc(SCc2nnnn2-c2ccccc2)n[nH]1 141678360 HENHTGCGXPNWRQ-UHFFFAOYSA-N 301.379 2.025 0 50 DEAA O[C@H]1CCCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 67459527 YYOCFVDSMRRPNO-INIZCTEOSA-N 308.385 2.353 0 50 DEAA Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Cl 32498290 GPWUUBVQKTXOIQ-GHMZBOCLSA-N 303.811 2.446 0 50 DEAA Cc1ccc(O)c(NC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)n1 330854343 YKIAYPVYFUNJBE-GUTXKFCHSA-N 321.421 2.168 0 50 DEAA CN1CCN(c2ccc(I)cc2)CC1 27081357 WHDKRPSSEZGGMR-UHFFFAOYSA-N 302.159 2.043 0 50 DEAA NCCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71770809 SWNZPFYWHOKZBC-GFCCVEGCSA-N 303.189 2.242 0 50 DEAA CCn1nccc1CN1CCC[C@@H](Cn2nc(C)nc2C)C1 121961822 LZFBHGKNBYXZHB-OAHLLOKOSA-N 302.426 2.024 0 50 DEAA CCn1cc(Cl)c(-c2nnc(S)n2C[C@H]2CCCO2)n1 2534202 MNJDCKGBNWERRY-MRVPVSSYSA-N 313.814 2.283 0 50 DEAA 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324.380 2.259 0 50 DEAA CN1CCCC[C@H]1CN1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 241965580 UTZNLINXLXEHKU-XSLAGTTESA-N 319.493 2.051 0 50 DEAA COC(=O)c1cccc(-c2cccc(C(=O)N[C@H]3CCNC3)c2)c1 426412845 YNCFHEPRJNHCDZ-KRWDZBQOSA-N 324.380 2.232 0 50 DEAA C[C@H](C(=O)O)C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 263556448 ONIPTSKHCQAUPC-YUMQZZPRSA-N 305.252 2.483 0 50 DEAA CCc1nnc(CNC(=O)c2c[nH]nc2-c2cccs2)o1 426424420 WRKAMTIGVNRSSX-UHFFFAOYSA-N 303.347 2.014 0 50 DEAA COc1ccccc1N1CCN(c2cc(N)ncn2)CC1(C)C 96131302 FQDKPHACEFLTHG-UHFFFAOYSA-N 313.405 2.173 0 50 DEAA CC1(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)Cc2ccccc2C1 179666504 RADZOOLYABHCNU-UHFFFAOYSA-N 307.353 2.144 0 50 DEAA O=C(O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C[C@H]23)[C@H]1C(=O)N1CCc2ccccc21 239203263 SAUZXUNTWRNGJU-WQAPVAGSSA-N 309.365 2.345 0 50 DEAA Cc1ccc(C(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)o1 294068419 HEHRPIQSUULFGE-HNNXBMFYSA-N 312.369 2.161 0 50 DEAA Cc1n[nH]c(SCCNc2ccnc(C(F)(F)F)n2)n1 91604649 YASZSSGPQFERCE-UHFFFAOYSA-N 304.301 2.126 0 50 DEAA CCOc1ccccc1[C@@H](C(=O)O)N(C)Cc1nc(C)c[nH]1 95388949 HMEAFNIOVFAAHH-HNNXBMFYSA-N 303.362 2.375 0 50 DEAA CCCn1ncc(C(=O)N[C@H](CC(C)C)c2ncnn2C)c1C 91624537 JIBJPSIMMNYEFK-CQSZACIVSA-N 318.425 2.247 0 50 DEAA CN1CCCCC[C@@H]1C(=O)NCc1noc(-c2cccs2)n1 95385108 MFQICLQKYOQWJP-LLVKDONJSA-N 320.418 2.289 0 50 DEAA Cc1nnc(CCNC(=O)[C@H]2CCOc3ccccc3C2)s1 96131867 MRIMLAZFCGCRRU-ZDUSSCGKSA-N 317.414 2.147 0 50 DEAA O=C(c1nc(O)c2ccccc2n1)N1CCC[C@@H](c2ncc[nH]2)C1 95500986 MHFPCHYRIDLZJM-LLVKDONJSA-N 323.356 2.078 0 50 DEAA CC(=O)Nc1cc(C(=O)N2CCC(CC(=O)O)CC2)ccc1C 621620416 GWABEVJGPMLHIK-UHFFFAOYSA-N 318.373 2.280 0 50 DEAA Cc1noc(C)c1CCC(=O)N1CCO[C@@H](C)[C@H]1C(F)(F)F 622985458 ZWDPSOMEXCTIKR-GWCFXTLKSA-N 320.311 2.402 0 50 DEAA Fc1ccccc1N1CCC[C@H](Nc2ccc3nncn3n2)C1 297423186 HJJZHLKIWQVCQV-LBPRGKRZSA-N 312.352 2.344 0 50 DEAA CC(C)C[C@H](C(=O)Nc1nc(CC(N)=O)cs1)n1cccc1 253407778 KECGFWLXQRNOOS-GFCCVEGCSA-N 320.418 2.198 0 50 DEAA CC(C)Cc1cc(C(=O)N[C@H](c2nccn2C)C2CC2)on1 299757637 IDTXTIAQABDFAO-AWEZNQCLSA-N 302.378 2.488 0 50 DEAA CCc1ccc(-c2nc(CC(=O)N3CC(CN)C3)cs2)cc1 1875327211 PEGZMMBARZQVQM-UHFFFAOYSA-N 315.442 2.332 0 50 DEAA Cc1nc2n(n1)C[C@H](N(C=O)Cc1sccc1Cl)CC2 1875325439 NOSNAWKTPOZHRW-SNVBAGLBSA-N 310.810 2.275 0 50 DEAA c1cc(CNc2cnc3c(c2)OCCO3)c2c(c1)OCCO2 952993240 SLAHAPJANMTMIZ-UHFFFAOYSA-N 300.314 2.236 0 50 DEAA C[C@H](CNC(=O)[C@@H]1C[C@@H]1F)n1cc(-c2ccc(F)cc2)nn1 1875323449 JBFGPKSNUVPASQ-WQAKAFBOSA-N 306.316 2.119 0 50 DEAA NC(=O)C[C@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1 1875261269 MLTICQHOYWBGSC-GFCCVEGCSA-N 303.189 2.242 0 50 DEAA CCN1C(=O)C2(CCCC2)N[C@]12C(=O)Nc1c(C)cc(F)cc12 1875261383 VXBIYBQYNTTWOO-KRWDZBQOSA-N 317.364 2.004 0 50 DEAA C[C@]1(C(N)=O)CCCCN1Cc1csc(-c2ccccn2)n1 185922565 NIGDRLUFYBZSNT-MRXNPFEDSA-N 316.430 2.435 0 50 DEAA Cc1ccc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)c2c1CCC2 886995034 FORQVWPOSMTOCY-IAGOWNOFSA-N 315.413 2.144 0 50 DEAA O=C(C[C@@H]1CCNC1=O)Nc1nc(-c2ccc(F)cc2)cs1 887636120 KYQATFXWZYFOKF-JTQLQIEISA-N 319.361 2.414 0 50 DEAA COc1ccc(CNc2ncc(C)c(O)n2)c(OC)c1OC 888094892 FLAWIXKPWGADIV-UHFFFAOYSA-N 305.334 2.129 0 50 DEAA C[C@H](O)c1cccc(N2CC(O)(c3ccc(Cl)cc3)C2)n1 893249422 RJQGFGYDVUKPGH-NSHDSACASA-N 304.777 2.496 0 50 DEAA CCCc1ccc(CN2CC[C@H](Nc3ncccn3)[C@@H](O)C2)o1 1565514970 IGRFARVRRFLAKV-HOTGVXAUSA-N 316.405 2.069 0 50 DEAA CC(C)[C@@H]1NCC[C@H]1C(=O)N1CC[C@H](Oc2cccc(F)c2)C1 634299520 TXNYEBQLTSPFJZ-BBWFWOEESA-N 320.408 2.440 0 50 DEAA CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1ccc(O)nc1 278188946 DKQUHVIEDKPUPI-INIZCTEOSA-N 306.362 2.125 0 50 DEAA Cc1nc(-c2cccc(NC(=O)N3CCC(=O)[C@H](C)C3)c2)no1 170619524 GTQJEKLESHVRGA-SNVBAGLBSA-N 314.345 2.488 0 50 DEAA NS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 170874614 PJYFMHSWRGPEJY-CQSZACIVSA-N 323.418 2.130 0 50 DEAA O=C1[C@H]2CCCN2C(=O)N1C[C@@H](O)Cc1ccc2ccccc2c1 280304777 NVKYDYMABVGNKN-DLBZAZTESA-N 324.380 2.170 0 50 DEAA O=C(Cn1cc(F)ccc1=O)N[C@H](c1ccccc1)C1CC1 190733631 FGLGRJIXFPZASQ-QGZVFWFLSA-N 300.333 2.255 0 50 DEAA Cc1nnc(COC2CN([C@@H](C)Cc3ccccc3F)C2)o1 643832270 YKUXWBATLDFFQY-NSHDSACASA-N 305.353 2.349 0 50 DEAA O=C(NC[C@H]1CC[C@H](O)C1)c1cccc(Br)c1F 192222226 HIZAWIWHTFXHHC-IUCAKERBSA-N 316.170 2.479 0 50 DEAA O=C(Cc1cccc(F)c1F)NCc1nc2cccnc2[nH]1 194245545 XVVLEJBKOIPDDB-UHFFFAOYSA-N 302.284 2.095 0 50 DEAA COc1cccc(CNC(=O)N2CCn3cccc3[C@H]2C)n1 194652461 UCOSZDTZYIVFRS-GFCCVEGCSA-N 300.362 2.178 0 50 DEAA CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nccn1CC 195513778 JZTJERBUNYLRBV-UHFFFAOYSA-N 311.389 2.162 0 50 DEAA CC(C)(O)[C@@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 721815217 CMZGWSGTNHGFDI-SNVBAGLBSA-N 303.811 2.122 0 50 DEAA Cc1c(CNC(=O)[C@@]2(C(=O)OC(C)(C)C)CC2(C)C)cnn1C 585107797 VLNSJGIAHFHNRR-QGZVFWFLSA-N 321.421 2.103 0 50 DEAA CSC[C@H](C)C(=O)N[C@H](CO)c1csc(C(C)C)n1 585130601 WCMPNRYRUDFZSG-VHSXEESVSA-N 302.465 2.415 0 50 DEAA Cc1ccccc1CC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529187363 SHTWKEXVHSXGCK-MSOLQXFVSA-N 310.397 2.306 0 50 DEAA CCc1noc(NC(=O)Cn2c(=O)oc3ccccc32)c1C 1529195307 IMQOGRAHBNUZFC-UHFFFAOYSA-N 301.302 2.092 0 50 DEAA Cc1ncc(CN(CCO)C(=O)c2scc3c2CCCC3)[nH]1 1704314394 YUVZNNXFZCSVSQ-UHFFFAOYSA-N 319.430 2.293 0 50 DEAA N[C@@H]1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C1 132422095 YEKZSSQMKSJLJM-GFCCVEGCSA-N 309.207 2.040 0 50 DEAA O=S(=O)(c1ccc(Cl)cc1)N1CCOC2(CCC2)C1 133640985 AXUBSYYCABZUEY-UHFFFAOYSA-N 301.795 2.284 0 50 DEAA CC1(C)CC2(CO1)CC(NC(=O)c1cc3c(cn1)OCCC3)C2 1615618077 DIJFJARJRDFXIB-UHFFFAOYSA-N 316.401 2.484 0 50 DEAA CCc1noc(C)c1CN[C@@H]1c2ccccc2OC[C@@H]1CO 1615044431 CHKUYEIADLNMRX-SJCJKPOMSA-N 302.374 2.377 0 50 DEAA OCC[C@@H]1CN(CC2CC2)CCN1Cc1ccc(F)c(F)c1 19744204 NEBPCHVKKHQZPO-OAHLLOKOSA-N 310.388 2.243 0 50 DEAA COc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1 19773468 UHNZPEFROLWKPS-UHFFFAOYSA-N 300.358 2.246 0 50 DEAA COc1ccc(O)c(-c2ccc3c(O)nc(S)nc3n2)c1 1857526813 ZOSDEPUWKKJBBX-UHFFFAOYSA-N 301.327 2.400 0 50 DEAA Cc1noc(C[C@H]2CCCN(C(=O)NCC=CC3CC3)C2)n1 1857531994 YGILQQHCOONJJP-CQSZACIVSA-N 304.394 2.308 0 50 DEAA CC1(C)Cc2nnc([C@H]3CC(=O)N(Cc4ccccc4)C3)n2C1 1875248433 PUBYXWAXQLIXRF-AWEZNQCLSA-N 310.401 2.377 0 50 DEAA CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1ncc(C(C)(C)C)s1 408387337 WYGZOMPBNCVKOE-LLVKDONJSA-N 324.450 2.429 0 50 DEAA CC(=O)Nc1ccc(NC(=O)CN2CC[C@@H]2C(F)(F)F)cc1 408518996 QTFHKWYJWYMFOA-GFCCVEGCSA-N 315.295 2.220 0 50 DEAA Cc1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)ccc1F 237672856 KXRGWFUKPCFVQA-ZDUSSCGKSA-N 309.337 2.230 0 50 DEAA O=C(NS(=O)(=O)CC1CCC1)[C@@H]1CSc2ccccc21 164879627 PLAYLTFQISQMPN-GFCCVEGCSA-N 311.428 2.122 0 50 DEAA c1cnnc(N2CCC(N[C@H]3CCOC34CCCC4)CC2)c1 903160144 KOCKLRMWYIIERS-HNNXBMFYSA-N 302.422 2.137 0 50 DEAA Cc1ncc2c(n1)[C@@]1(CCCN(CCCCC(=O)O)C1)CC2 1704316069 JLOVWCSQLLTNCA-KRWDZBQOSA-N 303.406 2.320 0 50 DEAA O=C(c1ccc(C(F)F)c(F)c1)N1CCC[C@H]1c1nn[nH]n1 930775659 RHYAHQJMULUNCH-JTQLQIEISA-N 311.267 2.254 0 50 DEAA COC[C@H]1COCCN1C(=O)Nc1cc(C)cnc1OC(C)C 931584640 VFILKDQGLSOEJE-ZDUSSCGKSA-N 323.393 2.056 0 50 DEAA Cc1nc[nH]c1CNC(=O)c1cc(C(C)C)n(-c2ccncc2)n1 2325750251 FQVFLLIJTKHYBT-UHFFFAOYSA-N 324.388 2.352 0 50 DEAA O=S(=O)(c1cnn2c1CCCC2)N1CCc2cccc(F)c21 2325784500 NDPHTEGPXKRWQC-UHFFFAOYSA-N 321.377 2.110 0 50 DEAA C[C@@H](Cn1ccnc1)NC(=O)[C@H](C)c1cc2ccccc2nc1O 2325807678 LPUPPAYYOUPQDX-QWHCGFSZSA-N 324.384 2.445 0 50 DEAA C[C@H]1CC(=O)N(C)c2ccc(NS(=O)(=O)C3(C)CC3)cc21 2325815702 ABTCVRAMVRVYPN-JTQLQIEISA-N 308.403 2.451 0 50 DEAA Cc1ncc(CCNC(=O)c2ccc(-n3nccc3C)cc2)[nH]1 2325856167 DHVRHGWHNMTYPN-UHFFFAOYSA-N 309.373 2.185 0 50 DEAA COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccccc1C 36526 MPJGUAMCUXTLKY-UHFFFAOYSA-N 301.342 2.138 0 50 DEAA O=C1c2ccccc2C(=O)N1CNN1CCCc2ccccc21 44354 DNCYETGPKPZZQS-UHFFFAOYSA-N 307.353 2.198 0 50 DEAA N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)O 2556571 YCQVFPIEKSYHFI-LBPRGKRZSA-N 314.769 2.148 0 50 DEAA in-vitro CC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(F)cc2)c1 4856001 FZGGODCPHHKFBF-UHFFFAOYSA-N 314.316 2.283 0 50 DEAA CCOc1ccc(NC(=O)CNC(=O)c2ccc(C)o2)cc1 4866797 WBHOKTSDKGMQHM-UHFFFAOYSA-N 302.330 2.355 0 50 DEAA COCCSc1ccccc1C(=O)NCCCn1ccnc1 6581725 TXQNAJYADFBDPN-UHFFFAOYSA-N 319.430 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BNRAAOZZYCOJOF-UHFFFAOYSA-N 314.345 2.084 0 50 DEAA Cc1cc(S(=O)(=O)NCC[C@H]2CCCOC2)c(C)s1 528446502 UJZLDGLTBXPITH-GFCCVEGCSA-N 303.449 2.460 0 50 DEAA CCC[C@@H](C(=O)N1CCC2(CCC(=O)NC2)CC1)n1cccc1 299765644 PFBLKMFUCWZJRW-HNNXBMFYSA-N 317.433 2.348 0 50 DEAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)NCCc1ccnn1C 299773091 DDDZJTSFSRAHLQ-GFCCVEGCSA-N 316.409 2.260 0 50 DEAA Cc1nc2ccc(C(=O)NCCc3nncn3C(C)C)cc2[nH]1 584900479 XKMZSOLBPVNKCX-UHFFFAOYSA-N 312.377 2.016 0 50 DEAA CCCNC(=O)c1cccc(CN[C@@H](C)c2nonc2C)c1 863984462 VMPMCLAVHQAEHR-NSHDSACASA-N 302.378 2.369 0 50 DEAA Cc1noc(-c2ccccc2C(=O)Nc2nnc3n2CCCC3)n1 163795576 XGLTYVYKLUTMJW-UHFFFAOYSA-N 324.344 2.225 0 50 DEAA CSc1ccccc1[C@@H](C)NC(=O)c1cnn(CCN)c1 1875315396 SPMNIWYDEQZVQM-LLVKDONJSA-N 304.419 2.055 0 50 DEAA CC[C@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc2c(c1)CCO2 886096766 DUYXGKRYJRPROD-LISAXSMJSA-N 313.401 2.233 0 50 DEAA NC[C@@H]1CCO[C@@H]1c1nc(Cc2c(F)cccc2Cl)no1 888078300 HGAMQOHWFNICHH-SDBXPKJASA-N 311.744 2.489 0 50 DEAA 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Cc1noc(C)c1[C@H](C)c1nc([C@H]2CN3CCC[C@@H]3CO2)no1 680794211 IBJWJGFURSGROG-ZWKOPEQDSA-N 318.377 2.362 0 50 DEAA Fc1cccnc1NC[C@H](c1ccccn1)N1CCOCC1 1506401734 NSIBJBRZVMGCLY-OAHLLOKOSA-N 302.353 2.101 0 50 DEAA CC(C)[C@H]1CN(c2nnc(Cc3cccs3)n2C)CCO1 1615587810 SAMZLHCWGGQPEN-CYBMUJFWSA-N 306.435 2.329 0 50 DEAA CC(C)(C(=O)N1C[C@H](Cc2ccncc2)[C@@H](O)C1)c1ccccc1 1616070971 YTVDAEVLXGRWQG-WMZOPIPTSA-N 324.424 2.421 0 50 DEAA O=C(OCC1CCCCC1)N1CCN(Cc2cnccn2)CC1 1616036250 RNPZFQOLGGLMPP-UHFFFAOYSA-N 318.421 2.311 0 50 DEAA Cc1ccc(N)[n+](Cc2ccc(C[n+]3cc(C)ccc3N)cc2)c1 5541831 BYDFUXOYWDFMPC-UHFFFAOYSA-P 320.440 2.139 0 50 DEAA C[C@H]1C[C@@H](C)CN(C[C@@H](O)COCc2ccc3c(c2)OCO3)C1 12170314 MYTGYLYFMWBPSL-IJEWVQPXSA-N 321.417 2.271 0 50 DEAA Oc1ccnc(SCc2nnnn2-c2ccc(Cl)cc2)n1 16623546 ISYAZWLBPYHZEH-UHFFFAOYSA-N 320.765 2.104 0 50 DEAA CCOC(=O)c1c(CN2CCN(C)CC2)oc2ccc(O)cc12 19955781 ADQSZKBIMSTMDP-UHFFFAOYSA-N 318.373 2.063 0 50 DEAA CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 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DEAA COc1ccc(-c2noc(C[C@H]3CCCS3(=O)=O)n2)c(C)c1 924141111 ZVDFDPYFZLPVMH-GFCCVEGCSA-N 322.386 2.173 0 50 DEAA O=C1COc2ccc(NC(=O)c3cnn(C4CCC4)c3)cc2N1 929374978 AQMNUYSJIBJBLL-UHFFFAOYSA-N 312.329 2.191 0 50 DEAA CC(C)[C@H](NC(=O)c1cc(Br)cs1)C(=O)O 155929252 OAPDHLFYXFZNFZ-QMMMGPOBSA-N 306.181 2.350 0 50 DEAA CSCC[C@H](N)C(=O)Nc1ccc(N(C)C)c(Cl)c1 40464310 VDBQWMWDAMJHTO-NSHDSACASA-N 301.843 2.425 0 50 DEAA O=S(=O)(C[C@@H]1CC12CC2)NCc1noc2cc(F)ccc12 2325776530 VRWRLHMHRGOZOM-VIFPVBQESA-N 310.350 2.186 0 50 DEAA COc1ccc(N2C(=O)CC[C@]2(C(N)=O)c2ccccc2)cc1 301603 RKHVUTXNFFOMQE-GOSISDBHSA-N 310.353 2.203 0 50 DEAA CCOC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CC 525642 HHLZQCUBTWHXRB-SNVBAGLBSA-N 306.387 2.460 0 50 DEAA C[C@H](C1CC1)N(C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 2312352 KGMOTAURJOZVTL-TZMCWYRMSA-N 322.430 2.188 0 50 DEAA O=S(=O)(c1ccc(NC2CCCCC2)cc1)N1CCOCC1 4058344 DRZXDUCDKKBUDC-UHFFFAOYSA-N 324.446 2.452 0 50 DEAA CCO[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(OC)cc2)C1=O 4820276 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O[C@@H](CN1CCC[C@@H](Cn2cncn2)C1)c1ccc(F)cc1F 229478199 OKHJMLGXRAAVNG-WBMJQRKESA-N 322.359 2.002 0 50 DEAA CN1CCCC[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 230134003 GCMBYKVKSKHGDD-HUUCEWRRSA-N 321.490 2.486 0 50 DEAA CC[C@H]1CN(Cc2cnc3ccc(C)cn23)CCN1CCOC 120979969 WFUXSQKQUYDBOF-INIZCTEOSA-N 316.449 2.185 0 50 DEAA CC1(C)CN(C(=O)NC2CCN(C3CCCC3)CC2)CC[C@@H]1O 332268063 DOXBKFXBDHDQGI-INIZCTEOSA-N 323.481 2.196 0 50 DEAA CCn1cncc1CNCC(=O)N[C@H](C)c1ccc(C)cc1 65452987 JYISOEXPXWXDJE-CQSZACIVSA-N 300.406 2.178 0 50 DEAA O=C(Nc1cnc2n1CCCC2)c1scc2c1OCCO2 67786720 DFABGJQBFXMCCW-UHFFFAOYSA-N 305.359 2.304 0 50 DEAA O=C(C[C@H]1CCNC1)N(Cc1ccccc1)CC1CCOCC1 129309247 ICTUQDCJESVILA-GOSISDBHSA-N 316.445 2.441 0 50 DEAA Cc1nn(C)c(=O)c(C(=O)NC(C2CCC2)C2CCC2)c1C 329218948 SCFRZPAWGMPDOF-UHFFFAOYSA-N 303.406 2.096 0 50 DEAA Cc1nc([C@@H]2CN(c3ccnc(C(F)(F)F)c3)CCO2)n[nH]1 329381492 NTXYRLIHANOHIF-JTQLQIEISA-N 313.283 2.105 0 50 DEAA O=C(CN1CCC(c2ccccc2)CC1)N1CCc2[nH]ncc2C1 215751553 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2.022 0 50 DEAA O=C1CC[C@@H](NC(=O)Cc2c(F)cccc2Cl)[C@H](C2CC2)N1 375167635 RXTCDXLJZJYZMP-CJNGLKHVSA-N 324.783 2.195 0 50 DEAA COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2cc(C)nn12 13645087 MTXSHPCXAIZIQM-UHFFFAOYSA-N 311.297 2.220 0 50 DEAA CCN1CCN(CCCOc2ccc(C)cc2Cl)C(=O)C1=O 40456384 PIIAUWOCTLJHIL-UHFFFAOYSA-N 324.808 2.108 0 50 DEAA CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@](C)(CO)C2)C12CCC2 241965725 UVCSCLWOPAIWRI-LZWOXQAQSA-N 310.438 2.138 0 50 DEAA O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1cncc(O)c1 176844277 XAZYJZZWJZXUCP-NSHDSACASA-N 319.311 2.074 0 50 DEAA CC(=O)CC[C@@]1(S(=O)(=O)c2ccccc2)C=CC(=O)CC1 45071603 HCOSXZKXMFYADZ-MRXNPFEDSA-N 306.383 2.487 0 50 DEAA c1ccc(CN2CCO[C@@H]3CN(C[C@H]4CCCCO4)C[C@@H]32)cc1 241465945 NTGQMHKEXXMLGL-CEXWTWQISA-N 316.445 2.141 0 50 DEAA CC[C@H](NC(=O)Cc1ccc(N(C)C)cc1)c1nc(C)no1 220231926 YYTLLCGOIFWFDQ-AWEZNQCLSA-N 302.378 2.254 0 50 DEAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)N1CCSCC1 426488012 MOOMOMFMJPIGEY-OAHLLOKOSA-N 316.430 2.383 0 50 DEAA COCCn1nnc2c1CCN(C/C(C)=C/c1ccccc1)C2 293740743 VTWJIEPDOGYUDK-NTCAYCPXSA-N 312.417 2.386 0 50 DEAA C[C@H]1CN(C(=O)c2cnnn2-c2cccc(F)c2)CC[C@@H](C)O1 619117500 XGDKAYYLBAMAGZ-NEPJUHHUSA-N 318.352 2.046 0 50 DEAA CC(=O)N1CCC(N2CCC[C@](CO)(CC=C(C)C)C2)CC1 91690323 ZKHBNXJXSRLFMX-SFHVURJKSA-N 308.466 2.428 0 50 DEAA CCCn1nc(C)c(CNC(=O)[C@H](C)n2ccnc2C)c1C 426597257 PUAHHKZWGCMUMA-ZDUSSCGKSA-N 303.410 2.292 0 50 DEAA CCn1c(C)ccc(C(=O)N[C@@H](C)c2nc(C)cs2)c1=O 426628828 UHGHLAFIBLCSNC-NSHDSACASA-N 305.403 2.433 0 50 DEAA Cc1ccccc1[C@@H]1CN(Cc2cccnc2N)C[C@H]1C(=O)O 91736726 ZWURRGVOUFJALI-JKSUJKDBSA-N 311.385 2.272 0 50 DEAA COc1cccc(N2CCN(c3nnc(C4CC4)o3)CC2)c1 91636042 NZMUVIPVTMUMJR-UHFFFAOYSA-N 300.362 2.282 0 50 DEAA C[C@H]1[C@@H](NC(=O)Nc2ccnnc2)CCN1Cc1ccccc1 297373792 IRNQDJABLQTLNP-BBRMVZONSA-N 311.389 2.261 0 50 DEAA COCCN(Cc1cccs1)C(=O)c1cc(C)nc(C)n1 347485052 NPXCRNCEKOORPH-UHFFFAOYSA-N 305.403 2.444 0 50 DEAA CCOc1ccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cn1 299750567 NWUNSLHTLBUMDZ-YUTCNCBUSA-N 318.373 2.338 0 50 DEAA Cn1cc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)cn1 299741428 FVHKNBLRDJTNAW-WFASDCNBSA-N 318.352 2.459 0 50 DEAA Cc1ccc2[nH]nc(CNC(=O)[C@H]3CCCCCN3C)c2c1 252484330 FULPOCHETAGPOX-MRXNPFEDSA-N 300.406 2.362 0 50 DEAA O=C(Cn1cccn1)Nc1ccc(OC[C@@H]2CCCCO2)cc1 827861306 CCYGSUBMLQWDJE-INIZCTEOSA-N 315.373 2.470 0 50 DEAA O=C(O)C1CCC(C(=O)NC2(c3ccncc3)CCC2)CC1 1875267239 GGVPOTHMGHZVSC-UHFFFAOYSA-N 302.374 2.468 0 50 DEAA CCc1ccccc1S(=O)(=O)N1CC[C@]2(C1)OC[C@H]1C[C@@H]12 1875305467 SBJIVNJHJDMCHV-IJEWVQPXSA-N 307.415 2.049 0 50 DEAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ccncc3F)C2)o1 952891048 UICGPLBCJQEOIB-MNOVXSKESA-N 304.325 2.053 0 50 DEAA CCOCCCS(=O)(=O)N[C@@H]1CCc2cc(F)ccc21 952878736 DEHPTNIDQXPEQC-CQSZACIVSA-N 301.383 2.159 0 50 DEAA O=C(N[C@]1(C(=O)O)CC12CCCCC2)[C@@H]1C[C@H]1c1ccncc1 1875404894 ZPFAZDRNHQYJTB-IYOUNJFTSA-N 314.385 2.479 0 50 DEAA CCc1onc(C)c1CNC(=O)Cc1cn2cc(F)ccc2n1 886683352 DZLQPWYOADJMIA-UHFFFAOYSA-N 316.336 2.191 0 50 DEAA C[C@H](CC(=O)NC1(c2ncccn2)CCOCC1)c1ccco1 886947721 QBMOIOWUWJIBAG-CYBMUJFWSA-N 315.373 2.385 0 50 DEAA CCn1ncc(C(=O)N2CC[C@@H](Cc3nccs3)C2)c1C 890203803 QBTZGZLEICFKJD-LBPRGKRZSA-N 304.419 2.373 0 50 DEAA C[C@@H]1CCC[C@H](C2OCCO2)N1C(=O)COC1CCCCC1 1775999322 SBCVIKDVPLNXRG-UKRRQHHQSA-N 311.422 2.478 0 50 DEAA C[C@H]1CCCN(C(=O)c2ncnc(O)c2Br)[C@@H]1C 1362138546 HVWAGGORVIVNGA-JGVFFNPUSA-N 314.183 2.205 0 50 DEAA CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 39648177 DEDOGCUYHOPZPD-INIZCTEOSA-N 312.369 2.270 0 50 DEAA in-vitro Cc1nn(C)c2ncc(CNC[C@H]3CCO[C@@H]3C(C)C)cc12 275359365 VIHYZAYBFRYHBT-GDBMZVCRSA-N 302.422 2.427 0 50 DEAA O=C1C[C@@H](N[C@@H]2CCCc3occc32)CN1CC(F)(F)F 193004869 CUBZQQDRPYLGDI-MWLCHTKSSA-N 302.296 2.410 0 50 DEAA CO[C@H](C)CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 195369466 JFUSYKULVHQCBE-CQSZACIVSA-N 318.417 2.141 0 50 DEAA CCc1noc2ncc(C(=O)N[C@H](C)C3(OC)CCC3)cc12 665662200 SANRSTOUPYDKMZ-SNVBAGLBSA-N 303.362 2.473 0 50 DEAA C[C@]1(C(=O)NCCc2ccccn2)CC(c2ccccc2)=NO1 585114048 DQXRIVBEWDOPQB-GOSISDBHSA-N 309.369 2.324 0 50 DEAA OC[C@@H]1CCCCN1CCNc1cccc(C(F)(F)F)n1 1506422796 UTVZVOUUSMXFST-NSHDSACASA-N 303.328 2.359 0 50 DEAA O=c1nc[nH]c2cc(Cl)c(I)cc12 205424156 MJLGSGRUTPFEGE-UHFFFAOYSA-N 306.490 2.181 0 50 DEAA in-vitro N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnn1CC1CCC1 1615554539 LVQXFCQRJIYWBP-NVXWUHKLSA-N 310.401 2.038 0 50 DEAA Cc1ncc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c(C2CC2)n1 1615554846 MZGURELZFUGPNQ-HZPDHXFCSA-N 308.385 2.017 0 50 DEAA O=C(Nc1cccc(-n2cnnc2)c1)[C@H]1CSCCS1 1616018340 HAPDAXAWXVKREX-GFCCVEGCSA-N 306.416 2.054 0 50 DEAA Cc1ccccc1Cn1cc(C(=O)N(C)Cc2cccnc2)nn1 11938429 UBEPIEVBLKLJIK-UHFFFAOYSA-N 321.384 2.302 0 50 DEAA COc1cc2c(cc1OC)[C@]1(NCC2)C(=O)Nc2ccccc21 19597093 DPPDBBGIRZGZKC-SFHVURJKSA-N 310.353 2.045 0 50 DEAA C[C@@]1(NC(=O)c2ccnc(-c3ccccc3)n2)CN2CCC1CC2 1646613038 XUBVOIDDYIVMEX-LJQANCHMSA-N 322.412 2.358 0 50 DEAA CC(C)(O)[C@@H]1CCCN1C(=O)c1ccnc(OC2CCC2)c1 305711658 KCABPOLQPQHBFI-AWEZNQCLSA-N 304.390 2.388 0 50 DEAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 4291504 ROHAWEUQJVQPQX-UHFFFAOYSA-N 312.391 2.286 0 50 DEAA COc1cccc([C@@H](C(=O)O)N2CCO[C@](C)(C(F)F)C2)c1 634692572 DDXFXSGVPYYHNJ-WFASDCNBSA-N 315.316 2.177 0 50 DEAA CN(C)CC(=O)N[C@@H](CC(=O)O)c1ccc(C(C)(C)C)cc1 737361837 WITDVEQVUMASPE-AWEZNQCLSA-N 306.406 2.178 0 50 DEAA CC(C)c1noc([C@@H](C)N2CCN(Cc3ccncc3)CC2)n1 130394423 UBUPSXVSBCKUJY-CQSZACIVSA-N 315.421 2.467 0 50 DEAA Cc1noc([C@@H]2CN(C[C@H]3C[C@H]3c3ccccc3)CCN2C)n1 343865563 NGORWBKSYVETLF-IKGGRYGDSA-N 312.417 2.470 0 50 DEAA CC(C)c1nnc(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1C 253623465 VNLYSICDSSFNHP-RRFJBIMHSA-N 306.454 2.454 0 50 DEAA CCc1csc([C@H]2CCCN(C(=O)C3(C(=O)O)CC3)C2)n1 154890538 NHGJRZIBBKXMFQ-JTQLQIEISA-N 308.403 2.276 0 50 DEAA CNc1cc(C(=O)N2CC[C@H](n3cc(C)cn3)C2)cc(Cl)n1 812381382 ZLCCLDNSCKKRMN-LBPRGKRZSA-N 319.796 2.369 0 50 DEAA COCc1cnc(NC(=O)N(C)[C@@H]2CCN(C(C)C)C2)s1 931377616 PAJBFRNKJTXDKF-LLVKDONJSA-N 312.439 2.236 0 50 DEAA Cc1nc(N2CC[C@@]3(O)C[C@H]3C2)c2cnn(-c3ccccc3)c2n1 853857722 BHVHWQYWANZCMU-SCLBCKFNSA-N 321.384 2.085 0 50 DEAA Cn1cncc1CN[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 131393992 FDKAHFNGTAJBPM-STQMWFEESA-N 308.426 2.346 0 50 DEAA O=C(CC[C@H]1CCNC1)N1CC[C@@H](COCc2ccccc2)C1 261745538 GVQKHECHPWRJSO-FUHWJXTLSA-N 316.445 2.441 0 50 DEAA Cc1cc(Br)cc(C(=O)N2CCn3ncnc3C2)c1 332601279 IGTDTCJQMFYBDZ-UHFFFAOYSA-N 321.178 2.005 0 50 DEAA COc1cc(OC)cc(C(=O)N2CC(=O)Nc3ccccc32)c1 3304619 SDPIZPFJEHOXNO-UHFFFAOYSA-N 312.325 2.303 0 50 DEAA Cc1nc([C@@H](C)NC(=O)c2cnn(-c3ccccn3)c2)[nH]c1C 2325763831 RTTUAOXMIJABTP-GFCCVEGCSA-N 310.361 2.098 0 50 DEAA CNC(=O)c1cncc(N2CCC[C@H]2c2cc(F)ccc2F)n1 2325780682 HHFKSYMUBKTUMQ-AWEZNQCLSA-N 318.327 2.456 0 50 DEAA Cc1cc(CN2CCC([C@H](O)C(=O)O)CC2)sc1Cl 2325787793 WXVGZLZDSVMXAT-NSHDSACASA-N 303.811 2.367 0 50 DEAA CC[C@@H](NS(=O)(=O)c1cc(C)cc(C(=O)O)c1F)C1CC1 907041248 LMQLGCPKWMWFMY-LLVKDONJSA-N 315.366 2.299 0 50 DEAA CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 82030 UNAUKXSHEWRIAH-UHFFFAOYSA-N 319.386 2.021 0 50 DEAA CCN1C(=O)[C@](O)(CC(=O)c2ccccc2O)c2ccccc21 459128 BWEUFNXCVHGOEF-SFHVURJKSA-N 311.337 2.219 0 50 DEAA COc1cc(OC)c(OC)cc1CN(C)C1CCN(C)CC1 2490779 CRPUMQKKMSZDFB-UHFFFAOYSA-N 308.422 2.238 0 50 DEAA O=C(c1ccncc1F)N1CC[C@H](c2ccccc2)[C@H](O)C1 2356140189 XZMJVSREQBZISP-CZUORRHYSA-N 300.333 2.211 0 50 DEAA CCOC(=O)C(CCC(=O)O)(Cc1ccccc1)C(=O)OCC 3051485 XDZBVHIYOHNVSW-UHFFFAOYSA-N 322.357 2.207 0 50 DEAA Cc1cccnc1C(=O)N1CCC[C@@]12CCCN(C(C)C)C2=O 2356167292 MLHYPKYUZOEQOI-GOSISDBHSA-N 315.417 2.396 0 50 DEAA COc1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1 4854491 DGQDIMPZWSLLHJ-UHFFFAOYSA-N 312.373 2.444 0 50 DEAA COc1ccc(CNC(=O)c2c(Cl)cnn2C)cc1OC 6698771 CMMFEXCVXAINRN-UHFFFAOYSA-N 309.753 2.021 0 50 DEAA CC1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cccnc2)CC1 225417822 GUJDRUGYSWZIAN-MRXNPFEDSA-N 315.417 2.335 0 50 DEAA Cc1ccc(CN(CCCO)C(=O)CCn2ccnc2C)s1 55061226 ZXGWVHNKBMOWNG-UHFFFAOYSA-N 321.446 2.363 0 50 DEAA O=C(C[C@@H]1CCCO1)OCc1cccnc1Br 225691183 XTWHBVFMFFAHGX-JTQLQIEISA-N 300.152 2.456 0 50 DEAA Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 103483662 LPSKIECRISIDMN-HUBLWGQQSA-N 322.430 2.285 0 50 DEAA COc1ccc(C)cc1N1C[C@@H](C(=O)NC(C)(C)C)CC1=O 9341814 TTXUWWNOGPNUTP-LBPRGKRZSA-N 304.390 2.271 0 50 DEAA CCN(CCO)C(=O)[C@H](C)N1C(=O)c2cccc3cccc1c23 55042318 TVKQTCATLRJDIR-LBPRGKRZSA-N 312.369 2.029 0 50 DEAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1cn2ccsc2n1 248121811 KKZKFZSBAJKTLT-UONOGXRCSA-N 318.446 2.024 0 50 DEAA CCCn1cnnc1CN(C)C(=O)c1ccc2c(c1)CCCO2 65534692 YHZGLOUNXUAMFG-UHFFFAOYSA-N 314.389 2.285 0 50 DEAA CCOc1c(CNC[C@H](C)O)cc(Br)cc1OC 10474568 USXPOUFKFWVNQW-VIFPVBQESA-N 318.211 2.327 0 50 DEAA CCCc1cn(C[C@@H]2CCCN(Cc3cnc(C)nc3)C2)nn1 20868548 CPIUFHFMBFEJIO-OAHLLOKOSA-N 314.437 2.241 0 50 DEAA CCN(CC)Cc1cnc2c(C(=O)Nc3cccnc3)cnn2c1 67947200 ZIXFEFDKUYRSHH-UHFFFAOYSA-N 324.388 2.218 0 50 DEAA COC(=O)c1ccc(COc2ccc3c(c2)CN(C)C3=O)o1 350176885 PFZVFGIRMLUTAU-UHFFFAOYSA-N 301.298 2.231 0 50 DEAA COc1cc(-c2noc(CS(=O)(=O)CC3CC3)n2)ccc1C 137163255 AHGMPGAMVKIMMN-UHFFFAOYSA-N 322.386 2.378 0 50 DEAA Cc1cnc(C)c(N2CCCO[C@H](CN3CCCCC3)C2)n1 1506397521 DBSNBOLYLZMGJR-MRXNPFEDSA-N 304.438 2.175 0 50 DEAA COCCC(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 11664680 JFTJEWAZZSPIPX-UHFFFAOYSA-N 303.337 2.137 0 50 DEAA CC(=O)C[C@H]1COCCN1C(=O)c1cc2ccccc2cc1O 121809092 HBSTWMLLSQWFBV-HNNXBMFYSA-N 313.353 2.366 0 50 DEAA C=CC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 328600770 ZRFKRYHXYGFNHN-JTQLQIEISA-N 303.280 2.090 0 50 DEAA CCCNC(=O)c1c(NC(=O)c2cccc(C)c2)cnn1C 2800506 HOLKCNDXGRRSQV-UHFFFAOYSA-N 300.362 2.121 0 50 DEAA Cc1cc(C(=O)N2CCC(CN3CCCC3=O)CC2)ccc1O 77407257 UMJBWSOKXJPGLT-UHFFFAOYSA-N 316.401 2.175 0 50 DEAA Cc1noc2nc(C(C)C)cc(C(=O)N3CCNC[C@H]3C)c12 124404909 SJTFSOJHARDPAT-SNVBAGLBSA-N 302.378 2.089 0 50 DEAA OCC1CCN(c2ncc3c(n2)CCC[C@H]3NC2CCC2)CC1 12596890 XWXRZDAHFDOWHN-MRXNPFEDSA-N 316.449 2.205 0 50 DEAA CC[C@@H](NC(=O)CCCn1cncn1)c1nc(C)c(C)s1 219917060 DSYLHAZDWRIJRM-GFCCVEGCSA-N 307.423 2.399 0 50 DEAA C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CCN1 155217075 GDSYRVGOBMOTOI-LERXQTSPSA-N 323.234 2.373 0 50 DEAA Cc1csc(=O)n1CCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 368081482 NLYRYRFQMKPBEZ-UONOGXRCSA-N 308.447 2.252 0 50 DEAA Cc1cnc(CNC(=O)c2ccc(C[C@@H]3CCCNC3)cc2)cn1 72145769 XDGGFTMACQJASH-INIZCTEOSA-N 324.428 2.257 0 50 DEAA Cc1cc(C)n2c(CNC[C@H]3CCO[C@@H]3C(C)C)cnc2n1 157429146 OWPLXEMLQIXNQQ-GDBMZVCRSA-N 302.422 2.497 0 50 DEAA CC(C)(C(=O)N[C@@H]1CCCC[C@H]1O)c1ccc2c(c1)OCCO2 130433310 KZNAZVMQEZQEIY-ZIAGYGMSSA-N 319.401 2.155 0 50 DEAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCn4nccc43)c2)n1 375565322 MSGCEAUDFVFAFQ-UHFFFAOYSA-N 321.384 2.405 0 50 DEAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 262569474 CCNQUNPAKYNVAK-VXGBXAGGSA-N 306.749 2.201 0 50 DEAA Cc1cc(C(=O)N(C)Cc2cccc(-c3nnn[nH]3)c2)ccc1O 218419347 ODMQUIQGPCCQSQ-UHFFFAOYSA-N 323.356 2.153 0 50 DEAA CCc1ccc2occ(C(=O)N3CCNC(=O)C[C@@H]3C)c2c1 375800616 CDJLSKJKWDNLPN-NSHDSACASA-N 300.358 2.346 0 50 DEAA C[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)C[C@H]1C(N)=O 284714851 ZGDYKOULHASXRG-GMSGAONNSA-N 301.173 2.187 0 50 DEAA O=C(N[C@H]1CCOC2(CCOCC2)C1)c1n[nH]c2ccccc12 214980482 DOVJBOMPXCQHRJ-LBPRGKRZSA-N 315.373 2.021 0 50 DEAA Cc1cccc([C@H](NC(=O)[C@@H]2CCO[C@@H](C)C2)C(=O)O)c1C 263165956 VUVULKXHUZLLIO-LNSITVRQSA-N 305.374 2.360 0 50 DEAA CNC1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 179137925 KHWMNEGULWKLIS-UHFFFAOYSA-N 300.324 2.458 0 50 DEAA CNC[C@H]1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 179004261 YTBGBTHCCUTFPL-LLVKDONJSA-N 316.323 2.152 0 50 DEAA CCCOCCN1CCC2(CC1)Nc1ccccc1NC2=O 82109444 LUJXDHDJZGPERT-UHFFFAOYSA-N 303.406 2.312 0 50 DEAA O=C(c1cnoc1-c1ccccc1)N1CCC(n2cnnc2)CC1 426360057 ZEJUQRJNBNRCTA-UHFFFAOYSA-N 323.356 2.410 0 50 DEAA COc1ccc(Cl)cc1CNC(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2 291428149 YZCCFKGMLWLYPX-XBFCOCLRSA-N 324.808 2.403 0 50 DEAA CCNc1nc(C)cc(NCCNC(=O)c2ccc(C)cc2)n1 82230274 LCVQFKOMVHJEMN-UHFFFAOYSA-N 313.405 2.367 0 50 DEAA Cc1cc(C(=O)N(C)C[C@@H]2COCCO2)c2ccc(F)cc2n1 82107111 HZPZUJLQVPWPHS-CYBMUJFWSA-N 318.348 2.170 0 50 DEAA Nc1ccc2c(n1)NC(=O)C[C@H]2c1ccccc1Cn1cccn1 91435202 CHVLNQYRUNREDQ-HNNXBMFYSA-N 319.368 2.383 0 50 DEAA Cc1nc(N2CC[C@@]3(CCCN(C)C3=O)C2)c2ccsc2n1 95364520 XWEPSEAMWASWDX-INIZCTEOSA-N 316.430 2.448 0 50 DEAA CC[C@@H](NC(=O)CC1CCN(C(C)C)CC1)c1nc(C)no1 95508378 LMSSBNRWJFLMHN-CQSZACIVSA-N 308.426 2.456 0 50 DEAA CSc1cccc(CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)c1 91915089 KVTFPROJFQUCPV-LBPRGKRZSA-N 304.415 2.036 0 50 DEAA Cc1nc(CCNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)sc1C 91551916 VSATYVCECJZFGJ-LBPRGKRZSA-N 323.462 2.066 0 50 DEAA OC[C@H]1CN(Cc2cc(F)cc(F)c2)C[C@H]1CN1CCCCC1 91547866 UFHQHINNZHNJRQ-HZPDHXFCSA-N 324.415 2.491 0 50 DEAA O=C(c1ccc(F)cn1)N1CCN(CCc2ccccc2)CC1 181735140 DAZKDYCNUBPKII-UHFFFAOYSA-N 313.376 2.221 0 50 DEAA COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)c(C)c1 91452478 LZJIQXIOTSIPLY-LSDHHAIUSA-N 316.401 2.087 0 50 DEAA CNC(=O)C[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)c(C)c1 243885907 ADUIJNHLIBAKPY-LLVKDONJSA-N 311.813 2.043 0 50 DEAA 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FUCYUCRESYQAAE-QGZVFWFLSA-N 312.417 2.388 0 50 DEAA CCc1nccn1CCNC(=O)[C@@H]1CCOc2ccccc2C1 95518105 JENKHKHAPPRIOR-OAHLLOKOSA-N 313.401 2.203 0 50 DEAA CCN1CCN(C2CCN(CCc3ccccc3)CC2)CC1 22455552 UNBVNDGGUHMRAS-UHFFFAOYSA-N 301.478 2.331 0 50 DEAA Cc1cc(C)c2[nH]c(C(=O)NC[C@@H]3CNCCOC3)c(C)c2c1 91586079 KPKJLBXLTSPOQR-AWEZNQCLSA-N 315.417 2.059 0 50 DEAA O=C1c2ccccc2[C@@H]2O[C@H]3c4ccccc4C(=O)N3CCN12 334162624 CZCFFJJJTIUQDE-ROUUACIJSA-N 306.321 2.326 0 50 DEAA CN(C)[C@@H](C(=O)N1CC(c2cccnc2)C1)c1cccc(F)c1 95383434 RYVVJDNZINOANQ-QGZVFWFLSA-N 313.376 2.449 0 50 DEAA CSCC(=O)N[C@H]1CN(CCc2ccccn2)C[C@@H]1C(C)C 91820142 BSRWNNDHCDQWFT-CVEARBPZSA-N 321.490 2.060 0 50 DEAA O=C(c1scc2c1OCCO2)N1CCC[C@@]2(CCOC2)C1 91849315 RYTULNYCRRSESD-OAHLLOKOSA-N 309.387 2.162 0 50 DEAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc2sccc2c1 91574397 UQASXFNHAVSJCU-KBPBESRZSA-N 304.415 2.350 0 50 DEAA COCC[C@@]1(C(=O)O)CCCN(C(=O)Cc2cccs2)C1 91876573 JHIUZGKFBUBCNI-HNNXBMFYSA-N 311.403 2.021 0 50 DEAA COc1ccc(C)nc1NC(=O)N1CC[C@H](O)CC(C)(C)C1 297023180 ALLMMIRDNMXVGH-LBPRGKRZSA-N 307.394 2.413 0 50 DEAA C[S@@](=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 299746506 XVMSDNKOVXIZMQ-AMXDTQDGSA-N 323.414 2.141 0 50 DEAA CC[C@H](C(=O)Nc1ccc(OC)cc1)N(C)CC1(C)COC1 252495600 OUHWYOKVGJOWHY-OAHLLOKOSA-N 306.406 2.381 0 50 DEAA CC[C@@H](C)[C@H](CO)NC(=O)c1ccc(Nc2ncccn2)cc1 252491937 LZZWSZLXRWFGNP-DOMZBBRYSA-N 314.389 2.357 0 50 DEAA Cc1nc(C(C)C)sc1CNC(=O)c1cnn2ccn(C)c12 534668899 LQRJMYJEVOHVSE-UHFFFAOYSA-N 317.418 2.491 0 50 DEAA CCCS(=O)(=O)NC[C@@H](C)NC1(c2cccc(C)c2)CC1 534583232 UDPGMMYYZGLLDG-CQSZACIVSA-N 310.463 2.292 0 50 DEAA Cc1ccn(CC(=O)N[C@H](CCN(C)C)c2ccccc2)n1 534664682 JTWNKRITASYUEU-MRXNPFEDSA-N 300.406 2.001 0 50 DEAA O=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCCCO1 299761513 TWXGWRASZCQRQT-INIZCTEOSA-N 316.401 2.108 0 50 DEAA Cc1cc(C(=O)Oc2cccc(N=S(C)(C)=O)c2)nn1C 585135864 GSCIIVLFXHDCPS-UHFFFAOYSA-N 307.375 2.307 0 50 DEAA COC[C@@H]1CCCCN(c2nnc(Cc3cccnc3)n2C)C1 1875280702 XXLAEBSXXOJYHE-OAHLLOKOSA-N 315.421 2.054 0 50 DEAA CC(C)(C)Cc1cn(CCCCNC(=O)C2(C)CC(=O)C2)nn1 1875323430 IOKKIZAAYIFGEX-UHFFFAOYSA-N 320.437 2.132 0 50 DEAA C[C@@H](NC(=O)C1(C2(O)CCN(C)CC2)CC1)c1ccccc1 1875323803 UOIDTVKCALQPEH-CQSZACIVSA-N 302.418 2.101 0 50 DEAA CCCN1C[C@@H](NCc2cc3cccc(C)c3nc2O)CC1=O 952968784 PNLVPLWFBNAJQM-HNNXBMFYSA-N 313.401 2.349 0 50 DEAA O=C(NCC[C@H]1CCCC[C@H]1O)c1ccc2nc[nH]c2c1F 887556219 XNCMCZJLCBLGID-ZWNOBZJWSA-N 305.353 2.373 0 50 DEAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(CO)cc1 1565509056 CJRCJLLANHHTDH-IRXDYDNUSA-N 319.401 2.049 0 50 DEAA CN(C)C[C@@H]1CCCCN1C(=O)c1conc1C(F)(F)F 1464810764 XLMXGGWUEJBNAS-VIFPVBQESA-N 305.300 2.250 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]32)C1 630155870 JNGMUFWPCVLZAB-DGJRKYIQSA-N 305.761 2.159 0 50 DEAA C[C@@](CO)(NC(=O)Cc1ccc(F)cc1F)c1ccc(O)cc1 1363161628 ZXXBGSNNMLXTSJ-KRWDZBQOSA-N 321.323 2.237 0 50 DEAA CC1=C(C(=O)N2CCOC[C@H]2c2nnc(C(C)C)o2)CCCO1 275408427 QOGSEQKFJANZGH-ZDUSSCGKSA-N 321.377 2.177 0 50 DEAA COc1ccc([Si](C)(C)c2ccccc2CO)cc1OC 169745242 CMVBYOSNMSYTNO-UHFFFAOYSA-N 302.446 2.019 0 50 DEAA in-vitro CC[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(C(=O)NC)cc1 277482030 COXRJJFZLPFWAF-CVEARBPZSA-N 318.417 2.210 0 50 DEAA Cn1ccc(CNC(=O)N2C[C@H](O)C[C@H]2C2CCCCC2)c1 170021409 UQIXQIADGZUKNP-CVEARBPZSA-N 305.422 2.250 0 50 DEAA O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(NC(=O)C2CC2)cc1 187388247 MDYQDYPTSQIVBM-GJZGRUSLSA-N 302.374 2.068 0 50 DEAA Cc1nc(C(=O)N2CCCC[C@H]2[C@@H](O)C(F)(F)F)c(C)o1 585088070 JFZYXVJZINPWEE-GXSJLCMTSA-N 306.284 2.209 0 50 DEAA CCc1ccc2occ(C(=O)N[C@@H]3C[C@@H]3N3CCOCC3)c2c1 585088033 HRKHGKVCFDGUIG-CVEARBPZSA-N 314.385 2.198 0 50 DEAA COc1nn(C)cc1NC(=O)c1cc(C(F)(F)F)cnc1C 635850364 ALUNHZBGCSUWHG-UHFFFAOYSA-N 314.267 2.403 0 50 DEAA COc1ccc2c(NC(=O)Cc3c(C)noc3C)n[nH]c2c1 194787530 YCPTWQYFQJQVIN-UHFFFAOYSA-N 300.318 2.358 0 50 DEAA COC(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)on1 598305524 JYUVQMSZNNJONV-VXGBXAGGSA-N 300.314 2.137 0 50 DEAA Cc1ncc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c(N)n1 668944194 FGGQEMKHBRZJOR-CYBMUJFWSA-N 314.364 2.211 0 50 DEAA C[C@H](CCn1cccn1)Nc1ncccc1C(=O)N1CCCC1 1529118450 LBXHBXSFRDCKPY-CQSZACIVSA-N 313.405 2.405 0 50 DEAA CC(C)(CCCO)CNS(=O)(=O)[C@@H]1C[C@@H]1c1ccccc1 1614994217 SOHOIZWIOUYVNY-HUUCEWRRSA-N 311.447 2.261 0 50 DEAA C[C@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc(-n2cccn2)cc1 1772700497 BXMAUPNKPBOTOY-WMLDXEAASA-N 310.401 2.067 0 50 DEAA O=C(CC1CC1)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 11838623 WGVRNOHJMWPBNR-CYBMUJFWSA-N 306.793 2.357 0 50 DEAA COc1cccc(-c2cnnc(N3C[C@H](C)O[C@H](C)C3)n2)c1 12022709 BDEWEPBFAISSLQ-TXEJJXNPSA-N 300.362 2.161 0 50 DEAA c1cn(CC[C@@H]2CCCOC2)c(-c2cc3n(n2)CCCNC3)n1 1857736111 LDSYWSQKTRGWJB-AWEZNQCLSA-N 315.421 2.057 0 50 DEAA C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](N(C)CC(=O)O)CC2)C1 408409017 ZHNCHWWOACGAMU-QLFBSQMISA-N 310.438 2.210 0 50 DEAA O=C(C[C@@H]1COC(=O)C1)NC1(Cc2cccc(Cl)c2)CC1 408520550 LENWJCRNLQEHDJ-LBPRGKRZSA-N 307.777 2.485 0 50 DEAA C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@@H](c2ccccc2)C1 229723192 VBUKETIBJJZMLL-DZGCQCFKSA-N 317.433 2.489 0 50 DEAA CC(=O)N1CCC[C@H]1C(=O)N1CC(Cc2ccccc2Cl)C1 374532145 YCLSEACCESVGDR-INIZCTEOSA-N 320.820 2.352 0 50 DEAA CCc1ocnc1C(=O)N1C[C@@H](C(=O)O)[C@@H](c2ccccc2)C1 262796427 CGUBHDWWDIMUFO-CHWSQXEVSA-N 314.341 2.177 0 50 DEAA Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H]1C[C@@H](C(=O)O)C1 263185846 HXLAHSDBFBZQGL-BETUJISGSA-N 311.341 2.045 0 50 DEAA COc1cc(C(=O)NCCc2ccn(-c3ccccc3)n2)ccn1 1115948844 ZLXKDKLKJCIEQD-UHFFFAOYSA-N 322.368 2.248 0 50 DEAA Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)[C@@H]2C(C)C)s1 285001649 HAFACEXGGWLBJZ-PWSUYJOCSA-N 317.432 2.176 0 50 DEAA O=C1NCCCC[C@H]1Nc1cncc(-c2ccc(F)cc2)n1 2325729302 QDDZJKZLLBNMDY-CYBMUJFWSA-N 300.337 2.363 0 50 DEAA CCOc1ccc2c(c1)CN(C(=O)CC1CC(CN)C1)CC2 2325797606 HVRWKFWUOKKXNI-UHFFFAOYSA-N 302.418 2.345 0 50 DEAA CCc1c[nH]c2ncnc(N3CC[C@@H](c4nncs4)C3)c12 2325809882 XBPKBZHBZIIXRU-SNVBAGLBSA-N 300.391 2.366 0 50 DEAA O=C(c1cnc(C2OCCO2)s1)N1CCC=C(Cl)C1 898199542 CGHXLDSRXJNWHC-UHFFFAOYSA-N 300.767 2.157 0 50 DEAA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccncc1 181715 OUZOAGVZRDUWPK-UHFFFAOYSA-N 316.357 2.005 0 50 DEAA O=C(c1ccc(Cn2cc(Br)cn2)o1)n1cccn1 468491 SCGAHXDCDHCTNX-UHFFFAOYSA-N 321.134 2.172 0 50 DEAA CON(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 2517127 ZAHRDPIWMGLOQJ-ZDUSSCGKSA-N 308.378 2.142 0 50 DEAA in-vitro Oc1n[nH]c2c1CCN(Cc1cccc3ncsc13)CC2 2356151655 SAASNYGABADNNQ-UHFFFAOYSA-N 300.387 2.326 0 50 DEAA O=C(c1cn[nH]c1)N1C[C@@H]2[C@@H](CCC[C@@]2(O)c2ccccc2)C1 2356160305 LXQLIUTZLIVRHM-FDQGKXFDSA-N 311.385 2.170 0 50 DEAA CN1CCC[C@]2(CCCN2C(=O)c2cccc3cc[nH]c23)C1=O 2356164206 JMWGXRAEBKJHQW-SFHVURJKSA-N 311.385 2.395 0 50 DEAA COc1ccccc1[C@H](c1c(O)n[nH]c1C)c1c(C)n[nH]c1O 4115328 GXXCKUUSSVMWIZ-UHFFFAOYSA-N 314.345 2.350 0 50 DEAA O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)c1cnc(S)n1-c1ccccc1 225419667 DAHJZFHUJQKYFG-YRGRVCCFSA-N 315.398 2.211 0 50 DEAA COc1ccc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)nn1 225771283 OHZGINAQZIMROX-IUODEOHRSA-N 321.327 2.071 0 50 DEAA CC[C@@H](C)n1nccc1NC(=O)c1nnc2nc(C)cc(C)n12 55387235 DKIBKWGGAQLCMG-SNVBAGLBSA-N 313.365 2.161 0 50 DEAA COc1ccc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)nc1 344721127 HPFNRCRQCSRYCF-CYBMUJFWSA-N 303.406 2.037 0 50 DEAA COC(=O)C1(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)CC1 134488382 ILJBXRJPKNYVKU-NSHDSACASA-N 314.341 2.472 0 50 DEAA CCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101084678 MVSPBAXYOQYFKB-DPDCMNJDSA-N 311.337 2.314 0 50 DEAA C[C@H](c1ccon1)N(C)C(=O)CCNC(=O)c1ccccc1F 55107917 FYRWDHIDNBENLI-LLVKDONJSA-N 319.336 2.153 0 50 DEAA Clc1cc(Br)ccc1OCCN1CCNCC1 20272662 BAGFLEDIBVZZDO-UHFFFAOYSA-N 319.630 2.387 0 50 DEAA C[C@H]1C[C@H](CO)CN(C(=O)c2c[nH]nc2-c2ccccc2F)C1 421958661 FEZKZMVYKVAOLK-RYUDHWBXSA-N 317.364 2.306 0 50 DEAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccc(Br)o1 250097147 UEUINLNCDSJFPA-GJMOJQLCSA-N 314.135 2.120 0 50 DEAA COC(=O)c1cccc(C(=O)N(C)C[C@H]2CCCCN2C)c1 20515279 GOTYPAFUEJZXTK-OAHLLOKOSA-N 304.390 2.030 0 50 DEAA C[C@H]1CN(Cc2cnc(NCc3ccccc3)nc2)CCN1C 67757292 IRAISNTVORGEPP-HNNXBMFYSA-N 311.433 2.225 0 50 DEAA CCn1cc(CN2CCC3(CC2)c2ccccc2C[C@H]3O)cn1 72145450 CMEBZBOOXGNUOJ-GOSISDBHSA-N 311.429 2.354 0 50 DEAA COc1ccccc1-c1nnc(Cn2c(C)csc2=O)o1 120583754 DQRDKAOTQFCPMY-UHFFFAOYSA-N 303.343 2.325 0 50 DEAA C[C@@H](c1cccnc1)N(C)C(=O)CCN1CCCCCC1=O 67740457 GYHQPYKZKFNHEZ-AWEZNQCLSA-N 303.406 2.394 0 50 DEAA Cn1cc([C@@H](NCc2cnn3ccccc23)C(F)(F)F)cn1 328593586 LYZSDRYUJKYHMI-CYBMUJFWSA-N 309.295 2.461 0 50 DEAA COc1ccc(C2=NO[C@@H](CNC(=O)c3cccnc3)C2)cc1 253392266 XODMXGBAYWQVEE-OAHLLOKOSA-N 311.341 2.013 0 50 DEAA Cc1nn2cc(CCN[C@@H]3COc4ccccc4C3)nc2s1 39447886 GNWFHYFQGSVFGF-AWEZNQCLSA-N 314.414 2.235 0 50 DEAA C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@H]2c2nc(C(N)=O)no2)o1 328650640 VPKNZOZXZWNRSX-JLLWLGSASA-N 316.361 2.222 0 50 DEAA CCc1ncnc(N[C@H]2CCCN(c3cccnc3)C2=O)c1F 253426572 JQDDOPFFHIMLLP-ZDUSSCGKSA-N 315.352 2.181 0 50 DEAA O=C(CC1CC1)N1CCC(Oc2ccccc2F)(C(=O)O)CC1 72473465 KMPFVTQXQDGVJS-UHFFFAOYSA-N 321.348 2.450 0 50 DEAA Cc1ccn2ncc(C(=O)N[C@H](C)CCc3ccc(O)cc3)c2n1 152666365 YGVZXHCMDBUGDJ-GFCCVEGCSA-N 324.384 2.494 0 50 DEAA Cn1nncc1CNC(=O)c1cc(-c2ccc(Cl)cc2)on1 360672836 JFGXCGRXZMSBHO-UHFFFAOYSA-N 317.736 2.054 0 50 DEAA CC[C@H](C)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 35369263 WBRMSBIRBVKACA-LBPRGKRZSA-N 316.854 2.445 0 50 DEAA CN1C[C@]2(CCN(C(=O)c3scc4c3CCCC4)C2)OC1=O 215993569 VQUDQKSKGUAFHN-INIZCTEOSA-N 320.414 2.294 0 50 DEAA CCc1cnc(CNC(=O)N[C@@H]2Cc3ccccc3[C@H]2O)s1 173396696 DOSPARWMCOYWLO-UKRRQHHQSA-N 317.414 2.163 0 50 DEAA CCN(CC(=O)O)C(=O)c1ccc(N2CCCCCC2)nc1 236980181 WIKUSHNXJLXKRW-UHFFFAOYSA-N 305.378 2.009 0 50 DEAA COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3C)c1 72119192 LVBQDBIOAXQORW-LBPRGKRZSA-N 301.346 2.220 0 50 DEAA CC(C)n1cc([C@@]2(O)CCN(c3ccc(Cl)cn3)C2)nn1 284480459 IYTYTBQWFFHCDO-CQSZACIVSA-N 307.785 2.005 0 50 DEAA C[C@@H](CC(=O)O)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 17066420 YMCGXWGTTVUHNF-MRVPVSSYSA-N 324.402 2.165 0 50 DEAA CCCc1cc(C(=O)NCc2cccc(-n3cccn3)c2)n(C)n1 77284742 KCBWKAMIKPFTAE-UHFFFAOYSA-N 323.400 2.488 0 50 DEAA Cc1ccc(CS(=O)(=O)NCc2cnn3ccccc23)cc1 72133796 UMVPHWDMVHKEAN-UHFFFAOYSA-N 315.398 2.262 0 50 DEAA CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cc(C(=O)O)ccn1 263441866 XGJXTGDWLHSTOE-KBPBESRZSA-N 320.389 2.446 0 50 DEAA COc1cccc(N2CCN(c3cc(Cl)nc(N)n3)CC2)c1 40497733 CBDOZMYCNDMWLB-UHFFFAOYSA-N 319.796 2.047 0 50 DEAA O=C(NCCN1CCCOC1=O)c1scc2c1CCCC2 222747873 XCJJUACMQGPEPO-UHFFFAOYSA-N 308.403 2.199 0 50 DEAA O=C(NCc1c[nH]nc1-c1ccccc1)[C@H]1CC[C@@H](C(=O)O)C1 426552393 WFOJWJAXLYGXAS-QWHCGFSZSA-N 313.357 2.194 0 50 DEAA O=C(CCN[C@H]1CCOC2(CCOCC2)C1)Nc1ccccc1 82097732 YCLFZQPMEXDARY-INIZCTEOSA-N 318.417 2.333 0 50 DEAA COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 47987168 QWMGWHJGPGLTKG-CYBMUJFWSA-N 319.405 2.336 0 50 DEAA COc1ccccc1CN1CCN(C(=O)c2ccncc2)CC1 20806507 NBHRMMLXTUXRIW-UHFFFAOYSA-N 311.385 2.048 0 50 DEAA CNC(=O)C[C@H](C)N(C)C(=O)Nc1cccc(-c2cnc[nH]2)c1 426489529 JHMCBJAZUROXTD-NSHDSACASA-N 315.377 2.065 0 50 DEAA 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QDHIAGVDKRWZNF-UHFFFAOYSA-N 301.342 2.267 0 50 DEAA biogenic,in-vitro Cc1cc(C)n(C2CN(C(=O)Cc3noc4ccccc34)C2)n1 223630019 GQIUPTRAXVCLLQ-UHFFFAOYSA-N 310.357 2.267 0 50 DEAA C[C@H](O)CN1CCN(C(=O)Nc2ccc(C3CCC3)cc2)CC1 225483699 NEBOFJFPLGJIGM-AWEZNQCLSA-N 317.433 2.484 0 50 DEAA Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1nncn1C1CCCC1 222502307 CQVYWLLNQRNEPM-LLVKDONJSA-N 316.409 2.235 0 50 DEAA O=C1NCCC[C@@]12CCN(CCCOCc1ccccc1)C2 91587175 FRKDUNQUINOCTK-SFHVURJKSA-N 302.418 2.195 0 50 DEAA Cc1ncc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)c(C)n1 180901717 XTXFJVZYKLHOEX-HNNXBMFYSA-N 312.373 2.314 0 50 DEAA CCc1csc(CNC(=O)Nc2c(OC)nn(C)c2C)n1 96179943 GRZODEDCTJMFNS-UHFFFAOYSA-N 309.395 2.078 0 50 DEAA Cc1c(C(=O)N[C@H]2CN3CCC2CC3)c2cc(O)ccc2n1C 244718954 LUCICIGYANCRJG-HNNXBMFYSA-N 313.401 2.016 0 50 DEAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCCc1nc2ccccc2s1 299750017 MKIPVHCOFIFAHL-NXEZZACHSA-N 304.371 2.066 0 50 DEAA CC[C@H](C)[C@H](CO)NC(=O)c1nc(-n2cccc2)sc1C 252482510 DHKDLTSPLMBISV-JQWIXIFHSA-N 307.419 2.379 0 50 DEAA Cc1nc([C@@H]2CCCN(Cc3ncc(C)c(O)c3C)C2)no1 253537158 ZXQUNLWTOSQYEQ-CYBMUJFWSA-N 302.378 2.475 0 50 DEAA CCN1CCC(CNc2cc(C3CC3)ncn2)(N(C)C)CC1 534673120 FBUMBYGODOPFSA-UHFFFAOYSA-N 303.454 2.182 0 50 DEAA COCC1(CNC(=O)[C@H]2CCCCN2C(=O)C2CC2)CCCC1 534584986 VVKMZBINAQDIKK-OAHLLOKOSA-N 322.449 2.101 0 50 DEAA CCn1ccc(C(=O)NCCCc2nc3ccccc3n2C)n1 299769476 NQWZQLBESRRVGM-UHFFFAOYSA-N 311.389 2.152 0 50 DEAA Cc1c(C(=O)O)cnn1-c1ncc2c(n1)-c1ccccc1CC2 299798742 ULFJSYWAPPPRHT-UHFFFAOYSA-N 306.325 2.435 0 50 DEAA O=C1CCC2(CCN1)CCN(C(=O)c1cc(F)ccc1O)CC2 299802788 PVESOQQZARJUHK-UHFFFAOYSA-N 320.364 2.054 0 50 DEAA O=C(O)CC1(NC(=O)c2ccc3ncsc3c2)CCOCC1 663122460 JGEOOCFXDYWPTR-UHFFFAOYSA-N 320.370 2.050 0 50 DEAA O=C(Cc1cccs1)N1CCC[C@H](c2cc(O)ncn2)C1 584884286 JZGXBKHLUCMHLA-NSHDSACASA-N 303.387 2.192 0 50 DEAA Cc1csc2c(=O)n([C@H](c3ncnn3C)C(C)C)cnc12 820718270 ZPDFZQIQWRNJIV-NSHDSACASA-N 303.391 2.140 0 50 DEAA CCc1c(C)nn(CC(=O)N[C@H](CC)c2cnn(C)c2)c1C 584893270 HRGSFDXWCJZUSR-OAHLLOKOSA-N 303.410 2.063 0 50 DEAA Cc1cccc(-n2ncnc2[C@@H](C)N2C[C@H](C)O[C@H](C)C2)n1 584888699 NFYIKMOGWIIDGB-HZSPNIEDSA-N 301.394 2.141 0 50 DEAA Cc1ccc(C)c(Cn2cc(CNC(=O)Cc3cc[nH]c3)nn2)c1 1875341791 ICIZEYLEAKNVKN-UHFFFAOYSA-N 323.400 2.130 0 50 DEAA CC(C)NC(=O)c1ccc(NC(=O)CN2CCC[C@H](C)C2)cc1 952978742 VEVKGRYBICJJDE-AWEZNQCLSA-N 317.433 2.495 0 50 DEAA CCCCS(=O)(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 952967609 ZUEAQAXHTPQBFI-HNNXBMFYSA-N 312.435 2.193 0 50 DEAA CC(C)Cc1cc(C(=O)NCCc2cccs2)nc(N)n1 952972887 MEMWXVMNPQSNAX-UHFFFAOYSA-N 304.419 2.291 0 50 DEAA Cc1ccc(-c2cc(C(=O)N3C[C@H]4CN(C)C[C@@]4(C)C3)n[nH]2)o1 887935046 GMYJILDEZDLVPR-PXAZEXFGSA-N 314.389 2.002 0 50 DEAA C[C@]1(C2CC2)COCCN1C(=O)Cc1noc2ccccc12 890582438 WGPCJWPHSUMIKO-QGZVFWFLSA-N 300.358 2.398 0 50 DEAA Cc1nccn1CC1CCN(CCN2C[C@@H]3CC[C@H]2C3)CC1 1565525799 PXQVZKPUGCGALM-MSOLQXFVSA-N 302.466 2.388 0 50 DEAA CS(=O)(=O)[C@@H]1CCCN(Cc2cc(F)ccc2Cl)C1 275653602 UPQSKWZJCDKXFR-GFCCVEGCSA-N 305.802 2.488 0 50 DEAA COC(=O)c1ccc(CC(=O)N[C@H]2CCOC(C)(C)C2)cc1 408519480 DMJBPRYLSWFUFO-AWEZNQCLSA-N 305.374 2.090 0 50 DEAA O=C(CSC[C@H]1CCCCO1)N1CCCc2ccnc(O)c21 585088832 ZPLISWJVVACBMO-CYBMUJFWSA-N 322.430 2.369 0 50 DEAA Cc1cnccc1CCNC(=O)Nc1c(Cl)c(C)nn1C 585119602 MTXZIOHVYGCSEG-UHFFFAOYSA-N 307.785 2.450 0 50 DEAA COC(=O)c1ccc(NC(=O)N(C)CCc2cnccn2)s1 585119807 VERSNHSLCGUERU-UHFFFAOYSA-N 320.374 2.031 0 50 DEAA Cc1cccc2cc(C(=O)N3CCOC[C@@H]3c3ncon3)oc12 679319465 WKFVZWMVXWIVFF-GFCCVEGCSA-N 313.313 2.338 0 50 DEAA O=S(=O)(c1ccco1)N1CCSC[C@H]1c1nccs1 188851929 HUVVXYYTIDOBJR-VIFPVBQESA-N 316.429 2.215 0 50 DEAA O[C@@H]1CCN(Cc2nnc([C@@H]3CCCOC3)o2)[C@@H]2CCCC[C@@H]12 640101173 OOXZASSCDGZIHY-KBUPBQIOSA-N 321.421 2.089 0 50 DEAA CN(Cc1ccc(OCC(=O)O)cc1)Cc1noc(C2CC2)n1 580898967 WRTDXDIXYWIELC-UHFFFAOYSA-N 317.345 2.042 0 50 DEAA Cc1nccc([C@H]2CCCN(c3c(C)c(C)nc4ncnn34)C2)n1 674262798 FFIDOOBSWRLDSE-AWEZNQCLSA-N 323.404 2.224 0 50 DEAA CCCn1nccc1NC(=O)[C@H](Cc1ccccc1)N(C)C 1529100421 RIOFGKPVAHGVTK-HNNXBMFYSA-N 300.406 2.405 0 50 DEAA CN(C)CCN(Cc1cnc[nH]1)C(=O)CCCc1cccs1 1704353742 RIIWERKZVFMYKW-UHFFFAOYSA-N 320.462 2.384 0 50 DEAA Cc1c(Cl)cncc1C(=O)N[C@H]1CCCn2c(C)nnc21 1615002552 DFYWZSNIMIYRIZ-LBPRGKRZSA-N 305.769 2.208 0 50 DEAA Cc1nsnc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1 1775982231 MQIRJCPTEUSEEQ-CYBMUJFWSA-N 318.402 2.063 0 50 DEAA CCCN1CCN([C@@H]2CCc3ccc(OC)cc3C2)CCC1=O 12212682 NXXRXNAEKOBFFF-QGZVFWFLSA-N 316.445 2.497 0 50 DEAA COC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H](C)C[C@@H](C)C1 13556349 WZBQHJUJOAQFMG-LZWOXQAQSA-N 318.417 2.458 0 50 DEAA Cc1ccc(N2C[C@H](C(=O)Nc3nncs3)CC2=O)c(C)c1 13944136 SRKUOSMWZJMJKT-LLVKDONJSA-N 316.386 2.147 0 50 DEAA Cc1nc([C@H]2CCn3nccc3C2)n(-c2cccc(C(=O)O)c2)n1 1857678270 LCPNXIRDYGDINY-LBPRGKRZSA-N 323.356 2.200 0 50 DEAA O=C([C@@H]1CCCOC1)N1CCN[C@H](c2cccc(Cl)c2)C1 328586424 RHCNIQUBNCWINN-HIFRSBDPSA-N 308.809 2.240 0 50 DEAA CC(C)(CNC(=O)c1cc(C(F)(F)F)ccc1F)C(N)=O 125630317 RDQVXUQQSNFWBN-UHFFFAOYSA-N 306.259 2.086 0 50 DEAA O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCOC1 363109063 XTMLIPDCGHKMNE-SJORKVTESA-N 302.418 2.051 0 50 DEAA O=S(=O)(NC[C@@H]1CCCN1C1CCCCC1)c1ccccn1 333199064 YGWRDXWWXRUWDA-HNNXBMFYSA-N 323.462 2.157 0 50 DEAA Cc1cc(CNC(=O)N2CC(F)(F)C[C@@H]2CO)ccc1F 370416062 WZRJQMZBJQQHKL-LLVKDONJSA-N 302.296 2.046 0 50 DEAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1nccs1 262415965 YZHGGXBTYQDKQP-UTUOFQBUSA-N 308.403 2.320 0 50 DEAA CN1C[C@H]2CCCN(CCC(=O)Nc3cccc(F)c3)[C@H]2C1 585115990 CSHQFTFFNBPPKB-CJNGLKHVSA-N 305.397 2.180 0 50 DEAA COc1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)O)cc2)nn1 262726220 GNMIZVGEOCYETO-JTQLQIEISA-N 315.329 2.001 0 50 DEAA Cc1cccc(Cl)c1S(=O)(=O)NCCc1cnoc1 907384878 WOMIWYURAJRMKA-UHFFFAOYSA-N 300.767 2.157 0 50 DEAA C[C@H]1CN(CCC(=O)O)CCN1c1nc2cccc(F)c2s1 910455130 INLPTNMHADHENH-JTQLQIEISA-N 323.393 2.421 0 50 DEAA Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(O)cc2)c(C)c1 1259103157 WKAFMMYTAXWJIX-HNNXBMFYSA-N 321.398 2.021 0 50 DEAA CCc1n(CCCCCCn2cc[n+](C)c2CC)cc[n+]1C 1857801029 WVPTYUMLIAAYGA-UHFFFAOYSA-N 304.482 2.324 0 50 DEAA CC(=O)Nc1ccccc1NC(=O)c1cnc2ccnn2c1C 2325819534 HWIKKMQUYURWKY-UHFFFAOYSA-N 309.329 2.248 0 50 DEAA CCc1ccc2ccccc2c1CNC(=O)N[C@H]1CCNC1=O 923162152 DWGFAFFKTYMATJ-INIZCTEOSA-N 311.385 2.090 0 50 DEAA COc1ccc(Br)cc1CN1CCC(O)CC1 236222 YLALHFSFWJUVRI-UHFFFAOYSA-N 300.196 2.414 0 50 DEAA C[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1ccccc1 1760395 KNUYAGSTPJYRSY-NSHDSACASA-N 305.355 2.424 0 50 DEAA O=C(NCc1ccccn1)C(=O)Nc1cccc(C(F)(F)F)c1 2891468 ZQLBOISXWJDWOB-UHFFFAOYSA-N 323.274 2.355 0 50 DEAA CC(C)c1nnc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)s1 4856004 GMKSWQQJPBGIAA-NSHDSACASA-N 317.370 2.382 0 50 DEAA CCc1c(C)nc(SCC(=O)Nc2ccccc2)[nH]c1=O 6265784 HQGAEEZRPZULDL-UHFFFAOYSA-N 303.387 2.372 0 50 DEAA Cc1ccc2cc(C(=O)Nc3nc(C(N)=O)cs3)ccc2n1 133862032 KCXUMHHMMAIMRU-UHFFFAOYSA-N 312.354 2.351 0 50 DEAA Cc1cc(Cl)nc(CNC(=O)[C@H]2COc3ccccc3O2)c1 225709227 FPQWTRVFQXDPOT-CQSZACIVSA-N 318.760 2.500 0 50 DEAA O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCCCC1 8181108 AEXRNRRIFZMIPL-UHFFFAOYSA-N 322.430 2.097 0 50 DEAA O=C1NCCCc2[nH]c(CCc3nc4ccccc4s3)nc21 65533730 NZDSNURRAYHVCD-UHFFFAOYSA-N 312.398 2.481 0 50 DEAA O=C(c1ccc(O)nc1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 348257199 IQFGZZNIISKMBB-BXUZGUMPSA-N 320.295 2.014 0 50 DEAA COCCNCC[C@@H]1CCC(=O)N1Cc1cccc(F)c1F 20993315 GRKRFPYAVNWELK-ZDUSSCGKSA-N 312.360 2.082 0 50 DEAA COc1ccc([C@H]2CC(=O)c3cn4nc(C)nc4nc3C2)cc1 20671544 SOIDPQSVSMXJCS-GFCCVEGCSA-N 308.341 2.354 0 50 DEAA CC(C)c1nc(Cn2cnnn2)n(-c2ccc(Cl)cc2)n1 65529542 XDXLDJIBMZKHDQ-UHFFFAOYSA-N 303.757 2.079 0 50 DEAA O=C(NCC1=CCCCC1)[C@H]1CC(=O)N(Cc2ccncc2)C1 67847872 KBUCLGIABFDJJU-INIZCTEOSA-N 313.401 2.047 0 50 DEAA NC(=O)CCN(Cc1ccccc1)C(=O)NC1CCCCC1 20119812 BKJOFBIBGQFSKC-UHFFFAOYSA-N 303.406 2.406 0 50 DEAA COc1cc(F)c(C(=O)N2CCCC[C@@H]2[C@H](C)N)cc1OC 121808552 SKXFIQJNFIJILN-GXFFZTMASA-N 310.369 2.185 0 50 DEAA CO[C@H](C)c1nsc(N2CC[C@H](Oc3ccccn3)C2)n1 328823945 RZNIPWMJWFBFSD-MNOVXSKESA-N 306.391 2.298 0 50 DEAA Nc1ccnc(CN2CCC[C@H](OCc3ccccc3F)C2)n1 366392753 POSARSPGGWBXNM-AWEZNQCLSA-N 316.380 2.379 0 50 DEAA Cn1c(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)nnc1C1CC1 282035958 ZNSBDDUEIOHYGL-LSDHHAIUSA-N 316.380 2.140 0 50 DEAA CC(=O)Nc1ccc(OC(=O)[C@@H]2COc3ccccc3O2)cc1 1387179 TYDICYIIPUNKST-INIZCTEOSA-N 313.309 2.390 0 50 DEAA CC(C)c1noc(CCC(=O)Nc2ccc(C(=O)O)cc2)n1 236667248 BRIAIGBHOFNTCS-UHFFFAOYSA-N 303.318 2.463 0 50 DEAA Cc1noc(-c2ccc(N3CCC[C@H]3c3nonc3C)nc2)n1 39372020 KTWGFMVVOIQBSM-LBPRGKRZSA-N 312.333 2.473 0 50 DEAA Cc1nccn1C[C@H](C)CNC(=O)c1ccccc1CN(C)C 362635717 KWJBNHIWYSOQIF-CQSZACIVSA-N 314.433 2.319 0 50 DEAA Cc1nc([C@@H](C)N2CCc3[nH]nc(C(F)(F)F)c3C2)no1 368125734 YTDXEHOEHQBSPN-ZCFIWIBFSA-N 301.272 2.239 0 50 DEAA C[C@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)c2cccnc2O1 159343341 PHRLZNSBNVZAIY-QMMMGPOBSA-N 324.262 2.318 0 50 DEAA CCn1ccnc1[C@@H](C)NC(=O)c1ccc2oc(O)nc2c1 456370760 YIHPLBIPWNBNEH-SECBINFHSA-N 300.318 2.241 0 50 DEAA CCOc1ccc(OCC(=O)Nc2c(C)ccn(C)c2=O)cc1 175693057 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CCOC(=O)[C@H]1C[C@@H](C(=O)OC(C)(C)C)[C@@H](c2ccco2)N1 22995873 MQXVIECQDKYSBE-WZRBSPASSA-N 309.362 2.204 0 50 DEAA CC(C)N1C[C@@H](c2nc(-c3cn4ccccc4n3)no2)CC1=O 96138465 IERZVPXZXOQTKW-NSHDSACASA-N 311.345 2.109 0 50 DEAA CN1CCCN(C(=O)Nc2nc(CC(C)(C)C)cs2)CC1=O 239654277 BNFAGPGPLRBFEK-UHFFFAOYSA-N 324.450 2.428 0 50 DEAA C=Cc1ccc(NC(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)cc1 96164763 KXPPLOYZVJHBTK-HOTGVXAUSA-N 301.390 2.002 0 50 DEAA CCOc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2O)cc1 244900242 ZYMTWESIYKWHIO-LSDHHAIUSA-N 313.419 2.009 0 50 DEAA Cn1nc(C(F)(F)F)cc1-c1cnn(C[C@@H]2CCOC2)c1 629725776 SCQZVBPCQYFKOU-VIFPVBQESA-N 300.284 2.339 0 50 DEAA Cc1nnc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)s1 185390949 IYXNJTSLNXBCOF-UHFFFAOYSA-N 315.402 2.428 0 50 DEAA Cc1cccc(C[C@H](C)NC(=O)CSCCN2CCCC2)n1 299763706 PSVPEIABVJRYKA-HNNXBMFYSA-N 321.490 2.266 0 50 DEAA Cc1ccc2nc(CCNC(=O)C[C@@H]3CCCOC3)[nH]c2c1 584899925 GHGXFKRPYPYMGT-ZDUSSCGKSA-N 301.390 2.347 0 50 DEAA CCn1nc(C2CC2)cc1C(=O)N[C@H](CC(=O)O)CC(C)C 1875286429 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316.386 2.042 0 50 DEAA COc1ccc([C@@H](NC(=O)c2cn[nH]c2)c2ccncc2)cc1 215013984 XYCALHOBQQULEP-MRXNPFEDSA-N 308.341 2.333 0 50 DEAA O=C(NCc1nncn1C1CC1)[C@@H]1COc2ccc(Cl)cc21 375966516 AOZQTYCXQMTQAU-GFCCVEGCSA-N 318.764 2.059 0 50 DEAA C[C@@H](Cc1nc2ccccc2s1)NC(=O)[C@H]1CSC(=O)N1 174360147 CAOJGBBALOHFJL-WCBMZHEXSA-N 321.427 2.169 0 50 DEAA C[C@@H](NC(=O)N(C)C1CCOCC1)c1nc2ccccc2[nH]1 74833921 ZWKYHWSDPYVHSS-LLVKDONJSA-N 302.378 2.444 0 50 DEAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(F)c(Cl)cc1Cl 286617768 BKLSJSVGFUFPQR-FWOIEVBISA-N 323.126 2.170 0 50 DEAA Cc1ccc(NC(=S)Nc2cn(C)nc2C(N)=O)cc1Cl 17056771 OWSAQFMOCDTYHN-UHFFFAOYSA-N 323.809 2.290 0 50 DEAA C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H](C)C(=O)O 263447748 YLVYQTNCLDLXHG-QWRGUYRKSA-N 312.797 2.140 0 50 DEAA O=C1C[C@]2(CCN(c3nc4ccc(Cl)cc4s3)C2)C(=O)N1 82147414 JXICZSPGFGYAIG-AWEZNQCLSA-N 321.789 2.193 0 50 DEAA O=S(=O)(Nc1cc(Cl)c(Cl)cc1O)c1cnc[nH]1 328595929 KMLVRENPAWCCIP-UHFFFAOYSA-N 308.146 2.223 0 50 DEAA 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317.433 2.161 0 50 DEAA COc1nc(N2CCC(OCc3ccccn3)CC2)ncc1F 1704312484 DGLNNPQCANQZDY-UHFFFAOYSA-N 318.352 2.205 0 50 DEAA CSCCN1CCC(Nc2ncc(C)c(N(C)C)n2)CC1 1704300390 UTUBMSUHFFJLJQ-UHFFFAOYSA-N 309.483 2.090 0 50 DEAA CC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C[C@H](C)O2 1616031846 CYORQTLZTHOICY-HNNXBMFYSA-N 302.418 2.288 0 50 DEAA Cc1ccc(C)c(CC(=O)N2C[C@H](Cc3ccncc3)[C@@H](O)C2)c1 1615734932 JDBAMAZJHRZZNQ-OALUTQOASA-N 324.424 2.303 0 50 DEAA Cc1ncoc1C(=O)N[C@@H]1CC(=O)N(C2CCCCCC2)C1 11661733 XJHRFTQPQXAWFI-GFCCVEGCSA-N 305.378 2.037 0 50 DEAA NC(=O)CCC(=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 12836891 AXAYLBVGQIEMJY-ZDUSSCGKSA-N 324.371 2.402 0 50 DEAA CCCn1ncnc1-c1cc(C(=O)O)c(OC)c(OC)c1OC 1875245741 OGVWSMUHZGTCQM-UHFFFAOYSA-N 321.333 2.079 0 50 DEAA Cc1cc(C(=O)N2CCN[C@@H](c3cccc(Cl)c3)C2)n[nH]1 328586373 DIHHBIGINRMBPW-CQSZACIVSA-N 304.781 2.158 0 50 DEAA Cn1cncc1[C@H]1C[C@H](NCc2c[nH]nc2C(C)(C)C)CCO1 328626403 FALYDPFDSJMGHD-UKRRQHHQSA-N 317.437 2.451 0 50 DEAA 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300.362 2.372 0 50 DEAA Cc1cc(S(=O)(=O)N2CC[C@@H](n3cccn3)C2)sc1C 292297146 YOPIHKKGNFLUOY-GFCCVEGCSA-N 311.432 2.197 0 50 DEAA CC[C@@H]1CCN1C(=O)NCc1ccc(N2CCOC2=O)cc1 292206427 GXDFPSYAGPPFQV-CYBMUJFWSA-N 303.362 2.337 0 50 DEAA Cc1nccn1CCCNC(=O)[C@H](c1ccc(F)cc1)N(C)C 95386680 GMQNKKMSYJOLLV-INIZCTEOSA-N 318.396 2.140 0 50 DEAA CO[C@@H](C(=O)NC[C@@H](C(=O)O)c1ccccc1)c1ccccc1 239475400 AOBAYGWBUYYXCG-HZPDHXFCSA-N 313.353 2.359 0 50 DEAA CCc1ncc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cn1 91725473 AEZTYOWTOOQZEP-MRXNPFEDSA-N 310.401 2.168 0 50 DEAA CCc1cc(C(=O)NCc2cccc(-n3cccn3)c2)cc(=O)[nH]1 97137925 TWUOTQOHYNPWLI-UHFFFAOYSA-N 322.368 2.053 0 50 DEAA CN(CCc1ccccn1)C(=O)c1cc(-c2ccccn2)n[nH]1 97717262 XLNJATJWUQOIPG-UHFFFAOYSA-N 307.357 2.181 0 50 DEAA O=C(C[C@H]1CCc2ccccc21)NCCCN1CCCC1=O 91644206 QSECJMKZXGRDOI-OAHLLOKOSA-N 300.402 2.235 0 50 DEAA N[C@H]1CN(C(=O)Cc2c(F)ccc(Cl)c2F)C[C@@H]1C1CC1 91643895 BCMUXVKEGQOFSW-MFKMUULPSA-N 314.763 2.356 0 50 DEAA CCn1nc(C)cc1C(=O)NC[C@@H](c1cccs1)N(C)C 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173941806 QHSQXQJYRFQJMG-UHFFFAOYSA-N 323.356 2.119 0 50 DEAA O=C(O)[C@H]1CN(Cc2ccco2)CCN(C2CCCCC2)C1 217834566 IGUZYEIXPLSSIQ-AWEZNQCLSA-N 306.406 2.431 0 50 DEAA O=C(N[C@@H]1CC12CCOCC2)N1CCO[C@@H](c2ccsc2)C1 333155815 GINZZZXRYGPIDL-ZIAGYGMSSA-N 322.430 2.400 0 50 DEAA O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CC[C@@H](C2CCCC2)C1 333577003 SVIGGLHMXVOFSJ-HUUCEWRRSA-N 302.422 2.489 0 50 DEAA COc1ccc(/C=C/CN2CC[C@]3(C2)CN(C)C(=O)O3)cc1 72480360 YJFBHEPHEPYPDM-REMYHPOOSA-N 302.374 2.235 0 50 DEAA Nc1ncccc1CN1CCCN(C2Cc3ccccc3C2)CC1 77286163 ARYNXHYETGKXQN-UHFFFAOYSA-N 322.456 2.339 0 50 DEAA Cc1c(CCC(=O)N[C@@H](CC(C)C)CN2CCCC2)cnn1C 452346973 YACJFEKJEILXPR-KRWDZBQOSA-N 320.481 2.288 0 50 DEAA Cc1cnc(CN2CCO[C@H](C)[C@H]2c2nc(C3CC3)no2)o1 286018222 CLBNCNINJLKXCD-MFKMUULPSA-N 304.350 2.205 0 50 DEAA NC[C@@H]1CCN(C(=O)c2csc(Cc3ccccc3F)n2)C1 178520732 ZGURLRWJUZFODU-NSHDSACASA-N 319.405 2.294 0 50 DEAA CC1(C)CC[C@H]1NC(=O)N1CCN(c2ccccc2O)CC1 287999584 LDICQDQMNCUKBR-OAHLLOKOSA-N 303.406 2.412 0 50 DEAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Cl)cc1F 225786935 YYBMAEYGXSQPIO-WYUUTHIRSA-N 311.696 2.072 0 50 DEAA O=C(NC[C@H](c1cccs1)N1CCOCC1)C1[C@H]2CCC[C@H]12 178080885 VUDGRFMPGJMRME-MELADBBJSA-N 320.458 2.284 0 50 DEAA CCN1C[C@@H](C(=O)Nc2ccccc2N=c2cc[nH]cc2)CC1=O 614254886 KPOCUYVSNIJSLN-ZDUSSCGKSA-N 324.384 2.054 0 50 DEAA COCCN1C[C@H](Cc2ccc3c(c2)OC(F)(F)O3)CC1=O 223504295 JDYJEUZUUTVQBF-LLVKDONJSA-N 313.300 2.046 0 50 DEAA CCCc1cc(C(=O)N[C@@H](C)Cc2ncccc2C)n(C)n1 82109071 UYLZKNUDODBDNP-ZDUSSCGKSA-N 300.406 2.437 0 50 DEAA CCO[C@H]1CN(Cc2nc(-c3ccccc3)cs2)C[C@@H]1O 220428697 FBBKKTMQTAIFSX-GJZGRUSLSA-N 304.415 2.392 0 50 DEAA Cn1c(C(=O)N2[C@H]3CC[C@@H]2CCNC3)cc2cc(F)ccc21 97758074 DVALKPNJIAUEAV-KGLIPLIRSA-N 301.365 2.284 0 50 DEAA CCCn1cc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)cn1 180986003 FQUULDPDNRFDBC-UHFFFAOYSA-N 315.421 2.349 0 50 DEAA CCN(CCCN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)S(C)(=O)=O 245224957 ISJHRCUOVJUADH-RBGFHDKUSA-N 314.495 2.072 0 50 DEAA CCOc1ccc([C@H](CC)NC(=O)N2CCN(C)CC2)cc1 534585911 BVLMJIITMLNVIG-INIZCTEOSA-N 305.422 2.493 0 50 DEAA C[C@H](Cn1cnc2ccccc2c1=O)NCc1cccc(CO)c1 828827571 FNSKBGQPFHHNCK-CQSZACIVSA-N 323.396 2.067 0 50 DEAA Cc1ccc(S(=O)(=O)n2ncc3cc(C(=O)O)ccc32)cc1 498045404 NHAKGXMFSVHJSB-UHFFFAOYSA-N 316.338 2.280 0 50 DEAA COCCN1C[C@H](CNc2nc3cc(C)ccc3o2)CC1=O 670443018 ZOETVBZAWOJBQQ-LBPRGKRZSA-N 303.362 2.043 0 50 DEAA O=S(=O)(CC1CCCC1)NCc1ccc2nsnc2c1 670462955 WXHJTLVBYUUVCQ-UHFFFAOYSA-N 311.432 2.301 0 50 DEAA CC(C)Cc1nc(CCc2ccncc2)n(CC(C)(C)O)n1 670461846 QDPNXYGYRDXPBR-UHFFFAOYSA-N 302.422 2.428 0 50 DEAA CC(C)c1nsc(NCc2ccc(S(C)(=O)=O)nc2)n1 1458601145 GQEYZCSXUVBTTB-UHFFFAOYSA-N 312.420 2.072 0 50 DEAA Cc1cc(NC[C@H]2C[C@H](c3nc(C4CC4)no3)C[C@H]2O)ncn1 952849370 IVWPPKCWVAAPAA-YNEHKIRRSA-N 315.377 2.012 0 50 DEAA O=C(NCC1CCN(c2cnsn2)CC1)c1ccccc1 952860969 AYRJIRDNKKDKDR-UHFFFAOYSA-N 302.403 2.185 0 50 DEAA CCO[C@@]1(c2nnc(-c3c4ccccc4nn3C)o2)CCOC1 886082133 CNVXERDQELJNBL-INIZCTEOSA-N 314.345 2.275 0 50 DEAA Cc1nc(-c2ccncc2)nc(N2CC[C@H](CC(=O)O)C2)c1C 1777488976 MZLAXRFWMDYGDB-CYBMUJFWSA-N 312.373 2.456 0 50 DEAA c1ccn2c(-c3csc(CN4CCOCC4)n3)cnc2c1 1775991009 CAFMLGFEOQBXRB-UHFFFAOYSA-N 300.387 2.290 0 50 DEAA C[C@H](CS(=O)(=O)Cc1noc2c1COCC2)c1ccccc1 899490479 QUVWCULGCNCSBM-GFCCVEGCSA-N 321.398 2.466 0 50 DEAA C[C@H]1CN(C(=O)CCCCCO)CCN1Cc1ccccc1 1468990662 ZDDHKMZKGNGYPE-INIZCTEOSA-N 304.434 2.272 0 50 DEAA Cc1nnc([C@H]2COCCN2C(=O)c2cc3c(s2)CCC3)o1 275424888 RJFFYXHFMKMNAX-LLVKDONJSA-N 319.386 2.142 0 50 DEAA O=C(c1cnc2n1CCCC2)N1CCOC[C@H]1c1ccco1 676781778 JTCCDCACPCJKIZ-ZDUSSCGKSA-N 301.346 2.026 0 50 DEAA FC(F)(F)c1cnc(N2CC[C@@H](N3CCOCC3)C2)s1 302664226 BTRBMYIAHNJWCT-SECBINFHSA-N 307.341 2.073 0 50 DEAA Fc1cccc(F)c1N1CCN(CCc2cnccn2)CC1 639700552 UVCKRPNBHFFNAR-UHFFFAOYSA-N 304.344 2.120 0 50 DEAA O=C(NC[C@@H]1CC[C@@H](O)C1)c1cccc(Br)c1F 192222232 HIZAWIWHTFXHHC-RKDXNWHRSA-N 316.170 2.479 0 50 DEAA CN1CCN(C[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 1615614673 QOTOVYDLUWOYSI-OAHLLOKOSA-N 323.481 2.271 0 50 DEAA C[C@@H]1[C@H](NC(=O)c2cnc(C(=O)O)cn2)C[C@H]1c1ccccc1 1615046511 GELMIWFPMBMBRX-CYZMBNFOSA-N 311.341 2.097 0 50 DEAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)CCc1cccc(Cl)c1 1616094026 VDIGXCYEGJRMLV-KBPBESRZSA-N 306.793 2.209 0 50 DEAA COc1ccccc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 5010316 CFNSALLUPQHSPQ-ZBFHGGJFSA-N 310.397 2.476 0 50 DEAA CCOc1cc(C(=O)Nc2nc[nH]n2)cc(OCC)c1OCC 13111175 OQFGCQYOXRUGLU-UHFFFAOYSA-N 320.349 2.253 0 50 DEAA CC(=O)c1ccccc1OCCOCCN1C[C@H](C)O[C@H](C)C1 16489348 URTRDLNGXKOHJJ-GASCZTMLSA-N 321.417 2.394 0 50 DEAA CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)OC 17055799 ZSLNLOVRBXSRIP-UHFFFAOYSA-N 321.402 2.163 0 50 DEAA CN1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 19205190 LWQWUEGBUXNATO-MRXNPFEDSA-N 323.440 2.403 0 50 DEAA CC1CCC(O)(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)CC1 1857529757 AZDVVBAZSABGSZ-SVUPHLTFSA-N 321.421 2.103 0 50 DEAA CC[C@]12COC(=O)N1CCN(C(=O)c1cc3sccc3[nH]1)C2 1857668687 RYYZRDGVNLTVTP-HNNXBMFYSA-N 319.386 2.286 0 50 DEAA CC(=O)c1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1 418233 GRLHQSJOEBYKBX-UHFFFAOYSA-N 307.313 2.117 0 50 DEAA CN(C)C[C@](C)(O)CNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 225446213 ZATQQUSZODUPII-BQQQGOAYSA-N 322.493 2.412 0 50 DEAA CC(C)n1ncnc1CN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 331667737 UKGFYDUHOVKCER-WFASDCNBSA-N 322.359 2.445 0 50 DEAA Cc1cccc(C2(C(=O)N3CCO[C@H](C(=O)O)C3)CCCC2)c1 237925196 HDNBNLOBFHZMES-HNNXBMFYSA-N 317.385 2.119 0 50 DEAA Cn1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c1C1CCC1 353425053 WGACDBSANMSREJ-ZBFHGGJFSA-N 315.417 2.080 0 50 DEAA CCS(=O)(=O)c1ccccc1N1CC[C@H]2OCCC[C@H]2C1 252516286 RGWGVEWDPCHMAG-DZGCQCFKSA-N 309.431 2.486 0 50 DEAA Cc1ccc([C@H](C)C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 252517644 NWLQTERQUMABPV-CGTJXYLNSA-N 316.445 2.156 0 50 DEAA C[C@H]1C[C@H](NCc2ccccc2OCCCCO)CCN1C 585118074 ANUGWYXKRPNIBP-DOTOQJQBSA-N 306.450 2.410 0 50 DEAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccc(Cl)cn1)CC2 265965501 JSXGVVKGOYYVCA-UONOGXRCSA-N 324.808 2.127 0 50 DEAA C[C@@H](O)c1cc(NCc2nnnn2-c2ccccc2)ccc1F 814236207 PMKHTIALAVHVAS-LLVKDONJSA-N 313.336 2.467 0 50 DEAA CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccc(N)c2)CC1 1857781175 SAGQSCMQFCBKNQ-UHFFFAOYSA-N 320.393 2.353 0 50 DEAA CC1(C)OC(=O)N(CCC(=O)Nc2ccc(F)cc2)[C@@]1(C)O 4751526 KCZWQRZAKZKGQC-HNNXBMFYSA-N 310.325 2.094 0 50 DEAA CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(N)=O)C1 369064 CVFLQQSICGUSLT-MRVPVSSYSA-N 324.402 2.165 0 50 DEAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cccnc1N1CCOCC1 246566510 SDHGMDJVWKOJCA-IJEWVQPXSA-N 317.433 2.473 0 50 DEAA COC(=O)c1c(NC(=O)c2ccnn2C)sc2c1CCCC2 2769245 RFESHVUJVNDAAZ-UHFFFAOYSA-N 319.386 2.399 0 50 DEAA CN1Cc2nnc(-c3ccccn3)n2[C@@H](Cc2ccccc2)C1=O 2356146695 QRJBUAVILVXLLP-HNNXBMFYSA-N 319.368 2.096 0 50 DEAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccc2ccccn12 2356163135 ZEFHONMJJZWDKP-WBVHZDCISA-N 321.380 2.322 0 50 DEAA CCOC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C 4214983 NMPOSNRHZIWLLL-XUWVNRHRSA-N 317.385 2.258 0 50 DEAA endogenous,world Cc1nn(-c2ncc(Br)cn2)c(=O)c2ccccc12 9482151 BZPWLLUOEKDKQO-UHFFFAOYSA-N 317.146 2.247 0 50 DEAA Cc1csc(N2CCN(c3ncnc4[nH]ccc34)C[C@H]2C)n1 247939355 FWKPRUOVUUPXQJ-LLVKDONJSA-N 314.418 2.438 0 50 DEAA COc1ccccc1N1CCN(C[C@@H](O)CC(F)(F)F)CC1 252550859 SYYMSVOHRATHRU-LBPRGKRZSA-N 318.339 2.131 0 50 DEAA CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)CC1 331684340 VHPMEWGAMKSQRC-VIFPVBQESA-N 321.851 2.441 0 50 DEAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cnn(C(C)C)c1 328594389 HASVDRPNRCPUAF-CQSZACIVSA-N 317.393 2.018 0 50 DEAA C[C@@H](CCc1ccco1)N[C@@H]1CCCN(c2nccnc2O)C1 328625900 DQVFYYHFVKEDNJ-UONOGXRCSA-N 316.405 2.355 0 50 DEAA C[C@@H]1CC(CNC(=O)c2ccc(-n3cnnc3)cc2)C[C@@H](C)O1 328916547 KGZQUPRDKVTOEH-CHWSQXEVSA-N 314.389 2.201 0 50 DEAA Cc1cc(C(=O)N2CCC[C@H](n3ccnn3)C2)c(F)cc1F 332331175 PIAJVPFPYCFBOP-NSHDSACASA-N 306.316 2.342 0 50 DEAA CN1C(=O)C2(CCN(C[C@H]3CCCO3)CC2)c2ccccc21 72162020 OOPPXSFLXWOISH-CQSZACIVSA-N 300.402 2.176 0 50 DEAA COc1ccccc1OCCC(=O)N1CCC[C@@H]([C@H](C)N)C1 237141370 VZVQZMHUUZYWKE-UONOGXRCSA-N 306.406 2.050 0 50 DEAA C[C@@H]1CC(=O)c2cc(C(=O)N[C@H]3CCCC[C@H]3C)c(=O)[nH]c2C1 71376382 FADJIOYYICDTJF-WDMOLILDSA-N 316.401 2.448 0 50 DEAA CNC[C@@H]1CCCN(C(=O)[C@@H]2SCCc3ccccc32)C1 237234901 CSUFOAKJLLBLIE-XJKSGUPXSA-N 304.459 2.475 0 50 DEAA CS(=O)(=O)c1cc(NC(=O)C[C@@H]2C=CCC2)cc(C(=O)O)c1 262705378 DBIGNMSMSZKBGD-SNVBAGLBSA-N 323.370 2.083 0 50 DEAA O=C(NC[C@H]1CCOC2(CCC2)C1)NC[C@H]1CCCC[C@@H]1O 334099900 VNWHDMLKYFKIHB-ZNMIVQPWSA-N 310.438 2.186 0 50 DEAA O=C(O)CC[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1 238017701 CARWAYGTCXKWRG-LLVKDONJSA-N 301.346 2.280 0 50 DEAA CCCCN1C(=O)CC[C@H]2CN(Cc3cnn(C)c3)CC[C@H]21 72476362 YMDNVJKELKEZRX-JKSUJKDBSA-N 304.438 2.033 0 50 DEAA C[C@H](C1CCN(Cc2ccc(O)cc2)CC1)N1CCN(C)CC1 77389198 IITNBXFHWVNBPU-MRXNPFEDSA-N 317.477 2.240 0 50 DEAA CSCc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)o1 218819795 CQPDRMNHLYNLJW-KBPBESRZSA-N 324.446 2.126 0 50 DEAA CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCNCC2 72435432 DGGGGAFZNVSMGJ-CVEARBPZSA-N 302.418 2.150 0 50 DEAA COC[C@@H]1[C@@H](NC(=O)c2csc3c2CCCC3)[C@@H]2CCO[C@@H]21 219981848 YPCMEVVIDVURMC-VZAMPYOESA-N 321.442 2.407 0 50 DEAA O=C(Cn1ccc2ccc(F)cc21)NCCCn1ccnc1 40285949 QUYONPUZTSKZHK-UHFFFAOYSA-N 300.337 2.183 0 50 DEAA CCc1ccccc1NC(=O)N1CCN(c2cnn(C)c2)CC1 175650446 VPCPCSCTGROCDL-UHFFFAOYSA-N 313.405 2.337 0 50 DEAA CN1CCN(C(=O)c2cncc(-c3cccc(Cl)c3)n2)CC1 426512101 JRGCRUOIEQOFHB-UHFFFAOYSA-N 316.792 2.185 0 50 DEAA COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@H](CN)C1 178564330 JYUWSVRJXCUCRI-MRVPVSSYSA-N 303.189 2.423 0 50 DEAA CCCNc1ncc(CN2C[C@@H](N(C)C)[C@H](CCC)C2)cn1 82137130 ZPOAHXNNTFKNHG-HZPDHXFCSA-N 305.470 2.461 0 50 DEAA CSc1ncc(C(=O)N(C)CCc2scnc2C)cn1 221210824 MHLRBBRKUKIOPY-UHFFFAOYSA-N 308.432 2.278 0 50 DEAA CC(C)C[C@H](NC(=O)c1ccccc1C(=O)O)c1ncnn1C 426643065 VRZBXEFHFLWPJI-ZDUSSCGKSA-N 316.361 2.031 0 50 DEAA N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCCCCc1ccccc1)C2 426699874 FXGLICOJNFCRKU-FVQHAEBGSA-N 301.434 2.388 0 50 DEAA COC(CNC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1)OC 232313898 UPRSSAIBVBFTRW-UHFFFAOYSA-N 303.362 2.042 0 50 DEAA C[C@@H]1CN(Cc2sc(N(C)C)nc2Cl)CC[C@]1(C)O 91691670 LRNBTPDENPPZPP-RNCFNFMXSA-N 303.859 2.455 0 50 DEAA CC1(C)CN(C(=O)c2c[nH]c(=O)c3ccccc23)CC[C@]1(C)O 91526667 WNUFQFSLTYEQRC-SFHVURJKSA-N 314.385 2.151 0 50 DEAA COc1cc(N2CCC(c3nccn3C(C)C)CC2)nc(N)n1 95390907 YPURYDHTXHUTGV-UHFFFAOYSA-N 316.409 2.229 0 50 DEAA CCSCCNC(=O)Nc1ccccc1CC(=O)N(C)C 96135893 IRZKFYDHKOESGB-UHFFFAOYSA-N 309.435 2.192 0 50 DEAA O=C(NCCSCc1ccccc1)[C@@H]1CC12CCNCC2 96149241 FXAOGGSJFXCJAT-HNNXBMFYSA-N 304.459 2.426 0 50 DEAA CC(C)(N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 294253295 PGKBERWJELOJKJ-AWEZNQCLSA-N 310.825 2.349 0 50 DEAA Cc1ccc(F)c(S(=O)(=O)N2CCOc3nc(C)ccc32)c1 181042223 RPHGBAIWJBUYGJ-UHFFFAOYSA-N 322.361 2.425 0 50 DEAA O=C(Nc1ccc2nncn2c1)c1cncnc1-c1ccccc1 341230706 UCDIUSZGQMLNKZ-UHFFFAOYSA-N 316.324 2.439 0 50 DEAA C[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)[C@H]1CCCO1 299158498 QCZWPKDHRWAMRB-USXIJHARSA-N 302.418 2.335 0 50 DEAA 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PPEGEADIFKYAPT-UHFFFAOYSA-N 320.780 2.179 0 50 DEAA C[C@@H]1CN(Cc2nncs2)CCN1c1nc2ccccc2o1 929539009 FWAOSJJARMHSEI-LLVKDONJSA-N 315.402 2.390 0 50 DEAA Cc1noc(C)c1CC(=O)N(C)C[C@]1(O)CCc2ccccc21 843955008 NFYROQIQYBKDTI-GOSISDBHSA-N 314.385 2.126 0 50 DEAA CC(C)n1nnnc1Cn1ccnc1[C@H](O)C1CCCCC1 849947954 LRUZHRXVLCEJLT-CQSZACIVSA-N 304.398 2.113 0 50 DEAA C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2nccc3ccsc23)[C@H]1C 911811150 VBLDGJNHMGWEJY-LPEHRKFASA-N 303.387 2.034 0 50 DEAA C[C@H](Cc1ccccc1)NC(=O)Cn1cnc2ccccc2c1=O 376394 RQQUNPOEXVDGMY-CQSZACIVSA-N 321.380 2.144 0 50 DEAA C[C@H](C(=O)Oc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 465382 DSOVLBRCWGSFHV-SNVBAGLBSA-N 313.284 2.416 0 50 DEAA CC1=C(C)C[C@@H](C(=O)NCC(=O)c2ccccc2)[C@@H](C(=O)O)C1 858622 PGUVEKVRFRKTGZ-CABCVRRESA-N 315.369 2.433 0 50 DEAA CCCCC12CN(C(=O)CC)CC(C)(CN(C(=O)CC)C1)C2=O 2103320 PYELWSIDJUPGKF-UHFFFAOYSA-N 322.449 2.243 0 50 DEAA biogenic Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(N)=O 4867812 IRLNRFZWJZNWPD-GFCCVEGCSA-N 318.398 2.133 0 50 DEAA CC(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 6730903 KZXFSFDSMFKKLV-UHFFFAOYSA-N 308.809 2.257 0 50 DEAA Cc1c(C)n(CCO)c2ncn3nc(-c4ccccc4)nc3c12 6756451 BMYMUXSUFPQSCC-UHFFFAOYSA-N 307.357 2.355 0 50 DEAA CCC(=O)Nc1cccc(OCC(=O)N2C[C@H]3CC[C@H]2C3)c1 101905469 RDFBUFWEOVGSKI-JSGCOSHPSA-N 302.374 2.425 0 50 DEAA Cc1cccc(N2CCC(NC[C@@H](C)N3CCOCC3)CC2)c1 67472951 XDSFUCXAOOXHBN-QGZVFWFLSA-N 317.477 2.274 0 50 DEAA Cc1cccc(-c2ncc(CN3CCC(=O)NC[C@@H]3C)cn2)c1 63833683 VLFRMIAPNXAAMH-AWEZNQCLSA-N 310.401 2.162 0 50 DEAA CC[C@@H](Cn1cncn1)NC[C@@H](c1ccco1)N1CCCCC1 252492268 MHCDYIUQXDVAKE-HOTGVXAUSA-N 317.437 2.467 0 50 DEAA Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CC[C@](C)(O)C1 253398429 VPBTUNXTQCOIID-INIZCTEOSA-N 321.327 2.056 0 50 DEAA CCn1cc(C2=NO[C@H](C(=O)Nc3cccc(O)c3)C2)c(C)n1 5053469 AEIDKJUBRXGIMU-HNNXBMFYSA-N 314.345 2.049 0 50 DEAA O=C(Nc1cccc(OCCF)c1)N[C@@H]1CCc2cn[nH]c2C1 253421475 WHASFUYAOYJCRE-CYBMUJFWSA-N 318.352 2.437 0 50 DEAA Cc1ccnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1 253428808 LELQALJAYNPCPJ-UHFFFAOYSA-N 316.792 2.287 0 50 DEAA COCC[C@@H](C)CCS(=O)(=O)NCCSC(F)(F)F 253426962 CMQZLPHXRSKHSC-SECBINFHSA-N 323.402 2.222 0 50 DEAA CC(C)n1cncc1CN1CCNC(=O)[C@H]1c1cccc(F)c1 215451391 CYSARVYQCLYETF-MRXNPFEDSA-N 316.380 2.276 0 50 DEAA Cc1nc(CC(C)C)cc(C(=O)NCc2ccc(C(=O)O)o2)n1 218458399 HPEKGFBQTNGWOI-UHFFFAOYSA-N 317.345 2.205 0 50 DEAA CC(=O)[C@H]1[C@@H](c2ccccc2F)[C@H](C(C)=O)C(=O)C[C@]1(C)O 36006935 UAJNIUOMKRDNNA-QZWWFDLISA-N 306.333 2.044 0 50 DEAA CCN(Cc1cn(-c2ccccc2)nn1)[C@@H]1CCCC[C@H]1O 215273599 MUCKBMIPPMBGGK-IAGOWNOFSA-N 300.406 2.393 0 50 DEAA COc1ccccc1CC(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1 11812959 URTCKQRWMDZNML-AWEZNQCLSA-N 318.417 2.001 0 50 DEAA NC(=O)c1noc([C@H]2CCCN2c2nc3ccccc3s2)n1 328636674 VQMAZGJIMRZBEI-SECBINFHSA-N 315.358 2.120 0 50 DEAA OC[C@@]1(Cc2ccccc2)CCCN1Cc1cnc2[nH]ccnc1-2 378140688 ZYVRFBKIARQJOV-IBGZPJMESA-N 322.412 2.479 0 50 DEAA Cc1cccn2c(CC(=O)N3CC(c4ccncc4)C3)cnc12 72141821 RTHTURQSKIMDHE-UHFFFAOYSA-N 306.369 2.206 0 50 DEAA C[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(OCC(=O)O)cc2)CCO1 263002937 KXIAIBSBDOETHG-YRGRVCCFSA-N 321.373 2.142 0 50 DEAA CC(C)[C@H](NC(=O)CN1CCC[C@H]1C(=O)O)c1ccc(F)cc1 236685749 BCHQWRJMGDEYJE-HOCLYGCPSA-N 322.380 2.188 0 50 DEAA O=C(N[C@H]1CC[S@@](=O)C1)NC1(Cc2cccc(F)c2)CCC1 332971925 NULVXTPINPDESN-RCDICMHDSA-N 324.421 2.111 0 50 DEAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(C(=O)C(C)=C2CCCC2)C1 285082841 SCYPVCAOGLEHJA-KGLIPLIRSA-N 304.394 2.292 0 50 DEAA O=C(c1nc2ccccc2nc1C1CC1)N1CCN2CCC[C@H]2C1 448924176 XQULKVPAMWHTLU-AWEZNQCLSA-N 322.412 2.427 0 50 DEAA Cc1cc(C[C@@H](C)NC(=O)c2n[nH]c(N)c2-c2ccccc2)[nH]n1 71750382 NSFYZDGPBXZCRT-SNVBAGLBSA-N 324.388 2.051 0 50 DEAA OCCCNc1nc(NCc2ccccn2)nc2ccccc12 41150466 XLEPIQDWJRMELQ-UHFFFAOYSA-N 309.373 2.431 0 50 DEAA CC1CCC(O)(CN2CCC(OC[C@@H]3CCOC3)CC2)CC1 131867572 WQMNPNUQPJCVRA-UPTPFMHGSA-N 311.466 2.445 0 50 DEAA C[C@@H](N[C@H](C)c1nccn1C)c1ccc(S(C)(=O)=O)cc1 341758740 CDMCNNIZTOHTMC-VXGBXAGGSA-N 307.419 2.235 0 50 DEAA O=C(CSCCN1CCCC1)NCc1nc2ccccc2o1 223233104 JHVLJBAQVSTJJF-UHFFFAOYSA-N 319.430 2.273 0 50 DEAA O=C(CCN1CCCCCC1=O)N[C@@H]1CCc2ccccc2C1 222638157 DEPRFNQFFPGXHC-QGZVFWFLSA-N 314.429 2.453 0 50 DEAA COCCn1ccnc1C1CCN(c2ccncc2F)CC1 95513393 DSSZYNQOLOFXSF-UHFFFAOYSA-N 304.369 2.448 0 50 DEAA Cc1nccnc1N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 91475222 ZSHPPLYBUSATOT-SFHVURJKSA-N 314.433 2.404 0 50 DEAA CCCn1cc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)c(C)n1 92080882 GYOOCJODJKPQSF-BBRMVZONSA-N 301.390 2.453 0 50 DEAA O=C(O)C1CCN(C(=O)Cc2ccccc2OC(F)F)CC1 238103660 NTKSYGIUDHQZCW-UHFFFAOYSA-N 313.300 2.154 0 50 DEAA Cc1oc(C(=O)O)cc1S(=O)(=O)NCCCc1ccccc1 237667035 MMVFAQZXGYUYPD-UHFFFAOYSA-N 323.370 2.197 0 50 DEAA CC(C)=CC[C@]1(C(=O)O)CCCN(CCC(=O)NC2CC2)C1 91859156 QMOBTICDHQPORM-QGZVFWFLSA-N 308.422 2.178 0 50 DEAA CN(C)[C@H](C(=O)NCCc1ccccn1)c1ccccc1F 95359470 WSDXCOIHNFUAFS-INIZCTEOSA-N 301.365 2.182 0 50 DEAA CCC[C@H]1CN(C(=O)c2ccccc2N2CCCC2)C[C@@H]1N 91486044 CVLWNIJYHHVVMA-HOCLYGCPSA-N 301.434 2.486 0 50 DEAA CCc1cc(C(=O)N[C@@H](C)c2nc(CC(C)C)no2)cc(=O)[nH]1 97655347 TUKSLWDOBKKIPW-JTQLQIEISA-N 318.377 2.010 0 50 DEAA C[C@@H]1CCc2n[nH]c(C(=O)NCCCOc3cccnc3)c2C1 244748583 OKDCNXXLGJXONE-GFCCVEGCSA-N 314.389 2.128 0 50 DEAA c1cnc(N2CCCC2)c(O[C@H]2CCN(Cc3ncc[nH]3)C2)c1 295928914 KDZRBWMYDZUHPR-AWEZNQCLSA-N 313.405 2.058 0 50 DEAA Cc1cc(CC(=O)N2CCC[C@H](C(=O)c3ccccn3)C2)on1 244715899 LEFVGQDKZJWOGK-ZDUSSCGKSA-N 313.357 2.042 0 50 DEAA C1=C([C@@]23CCCN(Cc4ncc[nH]4)[C@H]2CCOC3)CCOC1 252510263 ZFTNKCRXERAVSX-RDJZCZTQSA-N 303.406 2.128 0 50 DEAA O=C1CC[C@@H]2CN(S(=O)(=O)c3cccnc3)c3cccc1c32 183705947 ZXRAIENSUOYTJW-LLVKDONJSA-N 314.366 2.351 0 50 DEAA CN(C)C(=O)c1ccc(CNC(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)o1 534587341 QRGUCSGEYGZMBC-AGIUHOORSA-N 302.374 2.200 0 50 DEAA O=C(NC[C@@H]1COCCO1)Nc1cccc(C(F)(F)F)c1F 299789858 AFNOBZJURICWPL-MRVPVSSYSA-N 322.258 2.381 0 50 DEAA COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(C)nc(N)n1 299760548 WFRWETAEVQSTDZ-CQSZACIVSA-N 312.373 2.183 0 50 DEAA O=C(c1ccc(-c2cccs2)cc1)N1CCOC[C@H]1CO 299793202 HBHNXNCVQXNKOE-CQSZACIVSA-N 303.383 2.248 0 50 DEAA COCc1cccc(C(=O)N[C@@H](c2ncnn2C)C(C)C)c1 299770500 ROMZBOALGSSOCD-CQSZACIVSA-N 302.378 2.089 0 50 DEAA Cc1cc(S(=O)(=O)N2CC[C@@H](c3ncc[nH]3)C2)ccc1F 585135126 YQPXPVFRVFRGOS-LLVKDONJSA-N 309.366 2.035 0 50 DEAA C[C@H](CCSc1ccc(F)cc1)NCCS(C)(=O)=O 821164277 RYKRRCRXQZBQAR-LLVKDONJSA-N 305.440 2.331 0 50 DEAA COCc1nc(CNC(=O)NCc2cccc(C(C)C)c2)no1 1875277100 HDERZBANMUWQFG-UHFFFAOYSA-N 318.377 2.339 0 50 DEAA O=C(Cc1csc(C2CC2)n1)N[C@@H]1C[C@H]2C[C@H](C(=O)O)C[C@H]21 1875305374 BUFDQNLUJXNIPX-LYIQGSDWSA-N 320.414 2.179 0 50 DEAA Cn1cc(C(=O)Nc2ccccc2CN2CCCC2)ccc1=O 952978609 RUGHEFRERNTANZ-UHFFFAOYSA-N 311.385 2.233 0 50 DEAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2noc(C3CC3)n2)C1 888102832 PNWJEEXHCQPMNR-OLZOCXBDSA-N 317.393 2.249 0 50 DEAA O=C(NC[C@]12C[C@H]1COC21CCC1)c1cc(-c2ccco2)[nH]n1 890182217 NWPWJRDPPQHNKN-MEDUHNTESA-N 313.357 2.359 0 50 DEAA CCc1cc(CN2CCC[C@@H]2c2ncc(C(=O)O)cn2)on1 1776960629 WGELBCANUJKBRT-CYBMUJFWSA-N 302.334 2.062 0 50 DEAA O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1n[nH]c2c1CCC2 275711799 VHCYAWBKKQJFJJ-GUYCJALGSA-N 311.385 2.406 0 50 DEAA O=C(NO[C@@H]1CCCCO1)[C@@H]1C[C@]12CCOc1ccccc12 277418328 MIGZYKNOUDOMHO-LXZKKBNFSA-N 303.358 2.301 0 50 DEAA CN(C)CC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 109693577 CBCAOTWJSBSAMC-MRXNPFEDSA-N 310.825 2.174 0 50 DEAA CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccncn1 170089822 JSSCFYLCXJGXBE-UHFFFAOYSA-N 300.362 2.282 0 50 DEAA CO[C@H](C)CS(=O)(=O)NCc1cc2cc(F)ccc2s1 170620320 DRBIVTCWFZKQPM-SECBINFHSA-N 317.407 2.495 0 50 DEAA C[C@H](OC(=O)c1ccccc1CN1CCOCC1)[C@@H]1CCOC1 170617299 CASSFHRVJIOIBC-GOEBONIOSA-N 319.401 2.101 0 50 DEAA O=C([C@@H]1Cc2ccc(Cl)cc21)N1CC[C@@H]2CNC[C@@H]2CC1 638249408 QMYOCAXXFZJUDN-DVOMOZLQSA-N 304.821 2.438 0 50 DEAA CC(C)(C)OC(=O)N1CC[C@@](O)(CNC2CC3(CCC3)C2)C1 705105023 ZMSRNXMNMGPKKL-QGZVFWFLSA-N 310.438 2.281 0 50 DEAA Cc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ncccn1 639841494 VZHAPKFIVRJLOB-CVEARBPZSA-N 313.401 2.362 0 50 DEAA COc1ccccc1C[C@@H](C)N1CC(OCc2nnc(C)o2)C1 643832962 WSFAHBNOXVORJA-GFCCVEGCSA-N 317.389 2.219 0 50 DEAA O[C@]12CCCC[C@@H]1CN(Cc1nnc([C@@H]3CCCOC3)o1)CC2 644252989 ZAXXTPZCXYBBJF-CPUCHLNUSA-N 321.421 2.091 0 50 DEAA C[C@@H]1NCCC[C@@H]1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1 193559697 KFGZWDMCCPCAQL-JQFCIGGWSA-N 318.417 2.115 0 50 DEAA O=C(O)CC[C@@H]1CCCN(C(=O)COCc2ccccc2)C1 195090686 TWTOHGBPCNKSKS-AWEZNQCLSA-N 305.374 2.307 0 50 DEAA CC(C)Cc1cc(C(=O)Nc2ccc3ncnn3c2)cc(O)n1 662128053 RNGGFZPVQBHWER-UHFFFAOYSA-N 311.345 2.281 0 50 DEAA C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccoc1CC(N)=O 585081791 BJXQEOSYILKHFR-SNVBAGLBSA-N 316.332 2.206 0 50 DEAA O=C(c1cccc(O)n1)N1CCC([C@@H](O)c2cccs2)CC1 1506398054 UBSCWMWXTFZTNY-OAHLLOKOSA-N 318.398 2.435 0 50 DEAA O=C(CC1CC1)N1CCCN(C(=O)c2ccc(O)cc2F)CC1 1529172873 RJAYBIZGPWYRLF-UHFFFAOYSA-N 320.364 2.006 0 50 DEAA Cn1nccc1CN1C[C@@H](O)[C@H](Cc2ccnc3ccccc23)C1 1704338566 VELPCNYKWJBPIC-DNVCBOLYSA-N 322.412 2.004 0 50 DEAA 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O=C(CSc1ncn[nH]1)Nc1nnc(-c2ccccc2)s1 18083138 OYTGKITUVKKMLT-UHFFFAOYSA-N 318.387 2.054 0 50 DEAA O=C(CC=Cc1cccc(F)c1)NC[C@H]1CC(=O)N(C2CC2)C1 1857531897 PWAGJFLUMOUMDG-CQSZACIVSA-N 316.376 2.356 0 50 DEAA OC[C@H]1[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@]23CC[C@H]1O3 1857715153 DTKBBUPGZLXIGR-FMCLSXCISA-N 314.307 2.077 0 50 DEAA Cc1cc(C(N)=O)ccc1NC(=O)c1cccc2c1OCCO2 921281118 LUUKCBXPNOHNDC-UHFFFAOYSA-N 312.325 2.117 0 50 DEAA CN(Cc1ccc(Br)s1)C(=O)[C@H]1C[C@H]1C(=O)O 258731153 QYWBHRIYIBMMRQ-JGVFFNPUSA-N 318.192 2.190 0 50 DEAA O=C(NCc1nc(C(=O)O)cs1)c1cc2ccccn2c1 124237470 BDDBNQQDGTVPNI-UHFFFAOYSA-N 301.327 2.024 0 50 DEAA CN[C@H]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1 133530405 VKRXVBAJNCJNPP-JTQLQIEISA-N 300.761 2.068 0 50 DEAA Cc1cc(CS(=O)(=O)N[C@@H]2CCc3c(F)cccc32)no1 265279586 AJMZEIOXKHBCJO-CQSZACIVSA-N 310.350 2.229 0 50 DEAA O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)[C@H](O)c1ccccc1 164218251 PSSKNUBVWHDGPE-IAGOWNOFSA-N 324.380 2.032 0 50 DEAA Cc1cnc(O)c(CNC(=O)c2cc(-c3ccccc3)[nH]n2)c1 1653273063 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Cc1nc(=NCC2(N3CCOCC3)CCCCC2)[nH]c(C)c1C 2356153296 ZLBUOSOEYGFNID-UHFFFAOYSA-N 318.465 2.271 0 50 DEAA O=C(c1ccc2cc[nH]c2n1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356161758 IPIJOFHRPZMTQD-GOSISDBHSA-N 321.384 2.406 0 50 DEAA O=C(Nc1nncs1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4385422 URJVCDUWCVFUHO-QMMMGPOBSA-N 322.777 2.183 0 50 DEAA CCOc1ccc(Cl)cc1S(=O)(=O)n1ccnc1C 9061875 UWNNYPSFAYENCV-UHFFFAOYSA-N 300.767 2.481 0 50 DEAA CN(c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1)S(C)(=O)=O 101754726 ZLZOAZPLHYXCBU-CORIIIEPSA-N 322.430 2.001 0 50 DEAA O[C@H](CN1CCC[C@H]1Cn1cccn1)c1ccc(F)cc1F 247796004 RJIDLMCCRJFXSY-XJKSGUPXSA-N 307.344 2.359 0 50 DEAA COc1ccccc1/C(C)=C/C(=O)N1CCC[C@H](C(=O)O)C1 136164412 ZVFZEOYQDFGHMZ-XSNHNAGMSA-N 303.358 2.422 0 50 DEAA O=C(CCc1ccccn1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 348253341 DBCOWSPCPYFOCL-IRXDYDNUSA-N 314.360 2.488 0 50 DEAA O=C(O)C(=O)Nc1nnc(SCCCc2ccccc2)s1 20199595 SHLGHAKVVXXAEP-UHFFFAOYSA-N 323.399 2.286 0 50 DEAA CCOC1CC(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)C1 350688719 DMUKDJXCDFMBBQ-UHFFFAOYSA-N 316.401 2.092 0 50 DEAA c1cncc(-c2cn(C3CCN([C@@H]4CCSC4)CC3)nn2)c1 20539323 VKBQSICQHAPUIE-OAHLLOKOSA-N 315.446 2.483 0 50 DEAA O=C(NC[C@H]1CCCC[C@@H]1O)c1ccc(OCC(F)F)nc1 119986533 LWVKFTUDPUTKPE-PWSUYJOCSA-N 314.332 2.006 0 50 DEAA Cc1ccc(C(=O)O)cc1NC(=O)CCc1cn(C)nc1C 120265786 QJVSPKMBSKUZBU-UHFFFAOYSA-N 301.346 2.306 0 50 DEAA COc1cccc(CNc2cc(C3CC(O)C3)ncn2)c1OC 219281612 ONJPSFZOIXOPEK-UHFFFAOYSA-N 315.373 2.344 0 50 DEAA CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@@H](N)C1 253426924 BYBAUSKAUWDQAY-NVXWUHKLSA-N 321.440 2.233 0 50 DEAA Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nc(SCCO)n[nH]1 155385027 IGZOCKBZWWNPFA-IUCAKERBSA-N 324.431 2.001 0 50 DEAA O=C([C@@H]1Cc2ccccc2N1Cc1ccccc1)N1CCNCC1 35686507 GEAJNKIKQUDEOB-IBGZPJMESA-N 321.424 2.050 0 50 DEAA O=C(O)CC[C@@H]1CCCCN1C(=O)C[C@H](O)c1cccc(F)c1 237994749 YULRQHOQHKUHLL-GJZGRUSLSA-N 323.364 2.495 0 50 DEAA COc1ccccc1N1CC[C@@H](N2CCc3ncccc3C2)C1=O 367851905 XTZHPHOWGXONPF-QGZVFWFLSA-N 323.396 2.254 0 50 DEAA O=C1Nc2ccccc2NC12CCN(C[C@H]1CCCO1)CC2 77517523 CWUBTLYIVXFLPY-CYBMUJFWSA-N 301.390 2.064 0 50 DEAA Cc1ccccc1-n1cc(C(=O)N2CCC[C@@H]([C@@H](C)N)C2)cn1 156407171 GIRCKGWFASFHOP-HUUCEWRRSA-N 312.417 2.380 0 50 DEAA COCCC1(C)CN(C(=O)c2ccnc(OC(F)F)c2)C1 451808575 KFCGLALOCNSXDP-UHFFFAOYSA-N 300.305 2.182 0 50 DEAA COc1cc(CN2CC[C@H](NC(=O)[C@H]3C[C@@H]3C)C2)cc(OC)c1 240668445 HNAFYOWDTXBJKQ-JDFRZJQESA-N 318.417 2.050 0 50 DEAA COc1cccc([C@@](C)(CC(=O)O)NC(=O)[C@H]2CCCCO2)c1 263168056 KGIWPFYBWHOORH-RHSMWYFYSA-N 321.373 2.070 0 50 DEAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2nc(C)c(C)o2)C1 284930728 UQZBZZWSKQTUAT-OLZOCXBDSA-N 317.393 2.249 0 50 DEAA C[C@H](NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)O)c1ccncc1 17030801 NJMOWNDDTXVXPF-KFMWNKEPSA-N 302.374 2.396 0 50 DEAA C[C@H](Cc1cnccn1)NC(=O)Cc1cc(F)c(F)c(F)c1 222507674 RLLWKYYENPUUBI-SECBINFHSA-N 309.291 2.184 0 50 DEAA COC[C@@H](NC(=O)Cc1nc2ccccc2[nH]1)c1ccccn1 426555826 FJGJIBLRXWGOQY-OAHLLOKOSA-N 310.357 2.004 0 50 DEAA O=C([C@@H]1CCOC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 97815583 GXOXGGTVISWIPM-GFCCVEGCSA-N 309.793 2.187 0 50 DEAA CC(C)[C@@]1(CO)CCCN(C(=O)c2ccc3c(c2)ncn3C)C1 294890352 UXOCHRIRQNZBBK-SFHVURJKSA-N 315.417 2.444 0 50 DEAA Cc1nnsc1CNC(=O)[C@H]1CCOc2ccccc2C1 97655575 CBFNIKXZCVYWLO-LBPRGKRZSA-N 303.387 2.104 0 50 DEAA Cc1c(C(=O)N(C)CCc2ncon2)[nH]c2ccc(F)cc12 426409446 PYWRFUQPWGMOOB-UHFFFAOYSA-N 302.309 2.313 0 50 DEAA Cc1ccccc1OC1CN(CC(C)(C)CN2CCOCC2)C1 97698634 IHZAKMFOIVMHIH-UHFFFAOYSA-N 318.461 2.416 0 50 DEAA O=C1NC[C@H](C(=O)N2CCCc3ccccc3C2)c2ccccc21 625339048 JYQWOISGEZSRIB-SFHVURJKSA-N 320.392 2.489 0 50 DEAA CC(C)CN(CCC(=O)O)C(=O)c1ccc2c(c1)OCCO2 299365918 OQKSESIBIGIYEF-UHFFFAOYSA-N 307.346 2.031 0 50 DEAA CS(=O)(=O)[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)C1 626914343 WGEMIIORZXAAHZ-LBPRGKRZSA-N 322.430 2.029 0 50 DEAA COc1cnc(/C=C/c2ccc(OC)c(OC)c2OC)nc1O 864087189 QZMZSDNLGOZWSK-SOFGYWHQSA-N 318.329 2.387 0 50 DEAA CC[C@H](NC(=O)c1cc2cc(C)ccn2n1)c1ncnn1CC 534633066 NVYQKEMXAHMMLI-ZDUSSCGKSA-N 312.377 2.135 0 50 DEAA Cc1noc([C@@H]2CCN(C(=O)c3cccc4c3NCCC4)C2)n1 299788897 YVROXHNBPYHOOQ-CYBMUJFWSA-N 312.373 2.366 0 50 DEAA CCn1nc(-c2ccccc2)nc1[C@H]1CCN(CCOC)C1 824412401 NSJBRWHWMWMDRI-HNNXBMFYSA-N 300.406 2.401 0 50 DEAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)c3[nH]nnc3C)c2)n1 584894562 JVTGGAWJUJTWBF-UHFFFAOYSA-N 324.388 2.188 0 50 DEAA CN(CC(=O)NCCc1nc2ccccc2o1)C1CCCC1 670448374 MMIQNNIBATZWQI-UHFFFAOYSA-N 301.390 2.361 0 50 DEAA CC(C)(C)OC(=O)N1CCn2c(nnc2[C@H]2CCCCO2)C1 952993587 ZOULEHCQBCLXGK-LLVKDONJSA-N 308.382 2.270 0 50 DEAA NCc1cccc2ccc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)cc12 1875291302 UVPHJSBQXOXMCD-DZGCQCFKSA-N 312.369 2.282 0 50 DEAA Cc1c(NC(=O)c2cnn(C)c2C)cccc1-c1nncn1C 952965619 ASVIYSJPYUQCOU-UHFFFAOYSA-N 310.361 2.085 0 50 DEAA C[C@H]1CCCCN1Cc1ccccc1CNC(=O)[C@H]1CCNC1 269222601 APJKFNJQYRQZTQ-RDJZCZTQSA-N 315.461 2.287 0 50 DEAA COC[C@]1(C(=O)O)CCCN1C(=O)C1(c2cccc(C)c2)CC1 888076980 AVSFAOZIIVFPOT-SFHVURJKSA-N 317.385 2.119 0 50 DEAA CC(C)Nc1ccc(-c2noc(CC3OCCCO3)n2)cn1 896961141 USCRSGPXHBKJQB-UHFFFAOYSA-N 304.350 2.257 0 50 DEAA Cc1cc(N2CCC(NCc3ccc4c(c3)ncn4C)CC2)[nH]n1 276049459 QLYPIZHMCGKIIZ-UHFFFAOYSA-N 324.432 2.363 0 50 DEAA CC1(O)CN(C(=O)c2cc3c(Br)cccc3[nH]2)C1 277717746 JWSYGIHCPOSASS-UHFFFAOYSA-N 309.163 2.137 0 50 DEAA CCC[C@]1(C(=O)OCC)CCCN1C(=O)CCc1cnn(C)c1 278419458 ONZKJVWNUXKVCZ-QGZVFWFLSA-N 321.421 2.077 0 50 DEAA O=C(c1coc(C2CCC2)n1)N1CCC[C@@H](n2ccnn2)CC1 636196479 XLONPRQOWBBLPT-CYBMUJFWSA-N 315.377 2.401 0 50 DEAA C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@H](n2ccnn2)C1 639711631 PSRFEXCQQOMDFY-FZMZJTMJSA-N 319.796 2.206 0 50 DEAA O=C1C[C@H](NC(=O)Nc2cccc(CCC(F)(F)F)c2)CN1 408514724 UYKPTGXAMKLVPY-NSHDSACASA-N 315.295 2.192 0 50 DEAA CO[C@H]1CCC[C@@H](C(=O)NS(=O)(=O)CCC2CCCC2)C1 408500637 PYMAJDSIIURCIN-KGLIPLIRSA-N 317.451 2.218 0 50 DEAA CC(C)(CNc1ccc2nnc(C(F)F)n2n1)c1cccnc1 413592811 UVCSYWQHYXUFRY-UHFFFAOYSA-N 318.331 2.847 0 50 DEAA CC(C)(O)Cn1nnc(Cc2ccc(Cl)c(Cl)c2)n1 193429972 QAELHWJTWNYLRR-UHFFFAOYSA-N 301.177 2.342 0 50 DEAA Cc1ccn(CC(=O)N2CCS[C@H]3CCCC[C@H]32)c(=O)c1 194819126 WITNTYLXJGHDNR-KGLIPLIRSA-N 306.431 2.043 0 50 DEAA COC[C@@H]1C[C@@H](O)CN1C(=O)C[C@@H](C)Cc1cccc(F)c1 585090571 OQLDHHMVMOECSE-VBNZEHGJSA-N 309.381 2.003 0 50 DEAA CCc1ncnc(N2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)c1F 1704327794 GRMFPVAHFHFSGQ-RISCZKNCSA-N 320.368 2.168 0 50 DEAA Brc1cnc2[nH]cc(I)c2n1 35269812 ULGMTONBTOMHOK-UHFFFAOYSA-N 323.919 2.325 0 50 DEAA in-vitro O=C(c1oc2ccccc2c1Cl)N1CCC[C@](O)(CO)C1 1615046851 CZFSKQLUOYVCJF-OAHLLOKOSA-N 309.749 2.046 0 50 DEAA CCn1cccc1C(=O)N1CCOc2ccccc2[C@@H]1C(=O)O 1615827580 OIPQIUSNMKXBDS-OAHLLOKOSA-N 314.341 2.169 0 50 DEAA O=C(c1ccccc1-n1cccn1)N1CCC[C@@H](C2(O)CC2)C1 1772805994 SKWBAXWBRIYPDU-CQSZACIVSA-N 311.385 2.249 0 50 DEAA C[C@@H](Oc1ccc(F)cc1F)C(=O)Nc1ccccc1C(N)=O 12380897 CYLNLTSPUPDGJC-SECBINFHSA-N 320.295 2.470 0 50 DEAA Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccccc1 13583178 KZZXNDUEXQMPQD-UHFFFAOYSA-N 318.398 2.498 0 50 DEAA CCN(c1ccc(C(=O)N2CCCCCC2)cc1)S(C)(=O)=O 16625788 SGBWDBJUVWBHSS-UHFFFAOYSA-N 324.446 2.489 0 50 DEAA Cn1[nH]cnc1=NC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 333036423 DFYKXJBDUGBMEL-AWEZNQCLSA-N 313.405 2.462 0 50 DEAA CCOc1cccc(CNC(C)(C)c2nnc3n2CCCC3)n1 449460894 OEVRVVTXAWRGJG-UHFFFAOYSA-N 315.421 2.433 0 50 DEAA Cc1c[nH]cc1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)O 455928509 GZFGXHYGUYQYHY-OCCSQVGLSA-N 300.358 2.385 0 50 DEAA CO[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)C1 248718683 BLQOCAUPWGSALQ-LJISPDSOSA-N 306.410 2.234 0 50 DEAA COC(=O)C1(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 134979552 FKFNEAOBPOOPIC-CQSZACIVSA-N 302.374 2.043 0 50 DEAA Cc1nnc([C@H]2CN(Cc3cccc4c3OCO4)C[C@@H](C)O2)o1 668649152 SGLLYBJUEBYTIA-QMTHXVAHSA-N 317.345 2.069 0 50 DEAA CC(C)n1ncc(C(=O)N2C[C@H](C)N[C@H](C)C2)c1C(F)(F)F 153291829 MBPZWHWXJUZNPD-AOOOYVTPSA-N 318.343 2.305 0 50 DEAA C[C@@H](CC(=O)N1CCCn2nccc21)NC(=O)C1CCCCC1 263894653 OZOWPORVHVKZLB-ZDUSSCGKSA-N 318.421 2.095 0 50 DEAA COc1nccc(CNC[C@@H]2CCCO[C@H]2c2cn[nH]c2)c1F 902625412 CITHKZASJRKTQW-SWLSCSKDSA-N 320.368 2.210 0 50 DEAA CN(C)c1ccc(C(=O)N[C@@H]2CCCC3(C2)OCCO3)cc1 253426914 ZLBRGQHWHFOMPR-CQSZACIVSA-N 304.390 2.168 0 50 DEAA NC(=O)C1(NCc2cnc(Br)s2)CCCCC1 253428662 KLQISSHDCXUPDB-UHFFFAOYSA-N 318.240 2.183 0 50 DEAA C[C@]1(C(=O)O)CCCN1Cc1ncsc1Br 629493331 FVEHTZDVUGVDIZ-SNVBAGLBSA-N 305.197 2.345 0 50 DEAA O=C(NCc1ccccc1OC(F)(F)F)NC[C@@H]1C[C@H]1CO 2325787096 AHMGKNNEXQJFLU-QWRGUYRKSA-N 318.295 2.013 0 50 DEAA Cc1nn(C)c2cc(NC(=O)[C@@H](N)CCc3ccncc3)ccc12 2325795435 FMWQXCTZYHBPQQ-INIZCTEOSA-N 323.400 2.175 0 50 DEAA CN(Cc1cnn[nH]1)C(=O)c1nccc2c1[nH]c1ccccc12 2325872944 SRCMBMKXRNPFRA-UHFFFAOYSA-N 306.329 2.106 0 50 DEAA C[C@@H](C(=O)O)N(C)Cc1ccccc1-n1nnc2ccccc21 2325874389 KVSRHOHIEZSUSP-LBPRGKRZSA-N 310.357 2.325 0 50 DEAA O=C(Nc1cc([C@H]2CCCO2)n[nH]1)c1nn[nH]c1-c1ccccc1 225791669 KDCDDXGHXSKVTB-GFCCVEGCSA-N 324.344 2.299 0 50 DEAA CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 81969 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Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1 314586559 ZQVCFAQSLQTPEM-UHFFFAOYSA-N 316.792 2.280 0 50 DEAA COc1ccc(N(C(=O)OC(C)(C)C)S(C)(=O)=O)cc1 1398409 URIAAELLUWWGDR-UHFFFAOYSA-N 301.364 2.396 0 50 DEAA CC(C)(C)c1cc(CN2CCC[C@@H](N3CCCC3=O)C2)n[nH]1 71738606 YEJXXHSZYKKTJU-CQSZACIVSA-N 304.438 2.294 0 50 DEAA Cc1ccsc1CN1CCC(C(=O)O)(n2cccn2)CC1 72477081 HFHLSGDPYBSYLL-UHFFFAOYSA-N 305.403 2.329 0 50 DEAA CCN(C)C[C@@H](C)CNC(=O)c1cccc(-c2ncc[nH]2)c1 215750951 RMXJNGPGEKWAGG-ZDUSSCGKSA-N 300.406 2.394 0 50 DEAA C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc2c[nH]nc2c1 369641527 TYLLEMXJDHLCHN-AWEZNQCLSA-N 314.433 2.248 0 50 DEAA Cn1ccnc1-c1nccn1Cc1nncn1C1CCCCC1 72125295 LQPJSPICCCYFIA-UHFFFAOYSA-N 311.393 2.429 0 50 DEAA CCc1ccc(-c2noc(CN3CCC[C@@H]3C(=O)O)n2)cc1 237001841 RVDVPEYBNNJSID-CYBMUJFWSA-N 301.346 2.348 0 50 DEAA CC(C)c1scnc1C(=O)N1CCC[C@@H](c2nc(O)n[nH]2)C1 334060386 YGEFLRCGRUGOHA-SECBINFHSA-N 321.406 2.110 0 50 DEAA O=C(O)CC[C@H]1CCCN(C(=O)c2cccc(C(=O)O)c2)C1 263214610 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O=C(NC[C@@H]1CCCCO1)N1CCC(Oc2ccncc2)CC1 426489961 CYMGDUZAZBHPQF-INIZCTEOSA-N 319.405 2.204 0 50 DEAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)CN)C1 91907657 BXHFVCBJIPJBRY-CQSZACIVSA-N 316.380 2.100 0 50 DEAA Cc1c[nH]nc1C1CCN(CCC(=O)Nc2cccnc2)CC1 244748860 OPSYJCRCZMOGBR-UHFFFAOYSA-N 313.405 2.321 0 50 DEAA COC(=O)CC1[C@@H]2C[C@@H]3C(CC(=O)OC)[C@H]4C[C@@H]1[C@H]1[C@H]2[C@H]3[C@@H]14 257357153 MHUYMYCQVOYFPA-GETDMHLESA-N 304.386 2.123 0 50 DEAA O=C(c1cc(F)cc(Cl)c1)N1CCC[C@H]1Cn1ccnn1 299744436 OVJDZVYEYVMADH-ZDUSSCGKSA-N 308.744 2.375 0 50 DEAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccnc(C2CC2)n1 299748080 FXTKVFVXGFIRAA-BNOWGMLFSA-N 315.373 2.212 0 50 DEAA C[C@@H](CN1CCOCC1)NC1CCN(c2cccc(F)c2)CC1 534658221 ZMUXGTGGOFPJLG-HNNXBMFYSA-N 321.440 2.105 0 50 DEAA Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C(=O)O)CC[C@H]2C)c1 263505914 MBRCSMHXPGCSCP-OLZOCXBDSA-N 311.403 2.177 0 50 DEAA NC(=S)c1cn(Cc2ncc(C(F)(F)F)cc2Cl)nn1 261494901 QYCHYFOTULXDAM-UHFFFAOYSA-N 321.715 2.028 0 50 DEAA O=C(CCc1cnccn1)NCCCc1nc2ccccc2[nH]1 280015079 SSFGFJMVPRLRPR-UHFFFAOYSA-N 309.373 2.035 0 50 DEAA CCc1ccc(-n2cnnc2)cc1NC(=O)NC[C@@H]1CCCO1 299761503 SVVOVGHEZFMWEA-AWEZNQCLSA-N 315.377 2.130 0 50 DEAA Cn1cncc1C(=O)NC[C@H](c1ccccc1F)N1CCCC1 299772838 AXWDEYGLWCMPFJ-OAHLLOKOSA-N 316.380 2.126 0 50 DEAA O=C(C[C@H]1CCNC1)NCc1cc(-c2ccc(F)cc2)no1 299790604 BWVPOPIXVBIGPT-LLVKDONJSA-N 303.337 2.097 0 50 DEAA COc1cc(NC(=O)N2CC[C@]3(CCOC3)C2)cc(OC)c1 164472880 FKSNPKMWENPDHE-INIZCTEOSA-N 306.362 2.348 0 50 DEAA COc1ccc(CN2CC[C@H](O)CC(C)(C)C2)cc1C(=O)O 670435540 PYPYFTYWNCSALO-ZDUSSCGKSA-N 307.390 2.376 0 50 DEAA O=C(NC[C@@H](CCO)c1ccccc1)C1CC2(CCC2=O)C1 1875316023 REHGOYBXHZZNNE-KSTDHSDQSA-N 301.386 2.028 0 50 DEAA CN(Cc1ccc(=N)[nH]c1)C(=O)c1cc(-c2ccccc2)[nH]n1 1875301716 QJLACXUNODILHQ-UHFFFAOYSA-N 307.357 2.156 0 50 DEAA CC[C@H]1CCCC[C@H]1NC(=O)NS(=O)(=O)c1cccnc1 1875328235 HHVSPKRULZSLHO-WCQYABFASA-N 311.407 2.038 0 50 DEAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1NCc1cc2c(o1)CCCC2 1875399994 OILVIJCVGJNXAE-IAOVAPTHSA-N 315.417 2.284 0 50 DEAA COCCc1nsc(N2Cc3c[nH]nc3CC(C)(C)C2)n1 952895718 WMYXLJCTRRKNJH-UHFFFAOYSA-N 307.423 2.039 0 50 DEAA C[C@H](C1CC1)N(C)c1nnc(-c2n[nH]c3c2CCCC3)n1C 1875267693 GZAQVPLDJZLSHK-SNVBAGLBSA-N 300.410 2.319 0 50 DEAA CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccncc2C)c1 1875285453 NSGAAOZSSJWDCJ-CYBMUJFWSA-N 319.430 2.149 0 50 DEAA Cc1noc(C)c1C(=O)Nc1ccc2nc([C@H](C)O)[nH]c2c1 952989643 TXCGGBGFLNHLBU-QMMMGPOBSA-N 300.318 2.473 0 50 DEAA OC[C@H]1CCCCN1CCNCc1coc(-c2ccccc2)n1 952873217 IVJQBPFUFKKECZ-QGZVFWFLSA-N 315.417 2.278 0 50 DEAA CC(C)(C)OC(=O)NCCC(=O)OCC(C)(C)n1ccnc1 888099521 OJXDDCPUMJPQKL-UHFFFAOYSA-N 311.382 2.076 0 50 DEAA C[C@@H]1OC2(CCN(C)CC2)C[C@@H]1NC[C@](C)(O)c1ccsc1 888099280 YOYUFQYTBJVMIG-BPUTZDHNSA-N 324.490 2.187 0 50 DEAA O=C(N[C@@H]1CCc2n[nH]cc2C1)N(Cc1ccoc1)C1CC1 893717368 UNTNWGZCTLHYIX-CYBMUJFWSA-N 300.362 2.234 0 50 DEAA OC[C@@H]1CCCN1Cc1cn(-c2cc(F)cc(Cl)c2)nn1 899745819 OXBPOVVOYBMYRS-ZDUSSCGKSA-N 310.760 2.017 0 50 DEAA Cc1ccn(-c2ccc(N3C[C@@H]4C[C@@]4(C(F)(F)F)C3)nn2)n1 1776002707 SIYWNFAXIBHYLX-GXFFZTMASA-N 309.295 2.359 0 50 DEAA COc1ccc(-c2cnn([C@]3(C(=O)O)CCCOC3)c2)cc1 1776003819 HVHOVKIZBZOYQC-MRXNPFEDSA-N 302.330 2.149 0 50 DEAA CCN([C@H](C)C(=O)O)S(=O)(=O)c1csc2ccccc12 899564765 NNNAHHYHARJYIQ-SECBINFHSA-N 313.400 2.385 0 50 DEAA CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 582531450 NSDBPDBMVRNBAS-HOSILWTGSA-N 315.417 2.141 0 50 DEAA Cn1ccc(C(=O)N(Cc2ccccc2)[C@H](CO)C2CCC2)n1 585089786 CFJKBIALFMKPJL-QGZVFWFLSA-N 313.401 2.224 0 50 DEAA Cc1nc(-c2cccc(CNC(=O)[C@H]3COCCO3)c2)cs1 585128533 DVUOLLRGGMQKQB-OAHLLOKOSA-N 318.398 2.150 0 50 DEAA COc1ccccc1[C@H](C)CC(=O)N1CC[C@H](C(=O)N(C)C)C1 408521464 VIMKLHKYPYJLRD-KGLIPLIRSA-N 318.417 2.126 0 50 DEAA Cn1cc(-c2cccc(C(=O)N3CCC(C(=O)O)CC3)c2)cn1 738404147 VFHACWAEEZTEKH-UHFFFAOYSA-N 313.357 2.024 0 50 DEAA Cc1nc(C(=O)N(CC(=O)O)Cc2ccccc2)c(C)s1 190740653 ZAAVHMHIWPOGDI-UHFFFAOYSA-N 304.371 2.487 0 50 DEAA Cc1nc(C)c(CN2CCN(c3ncnc(C)c3C)CC2)s1 1506408327 XKWARWTZPRYTMI-UHFFFAOYSA-N 317.462 2.489 0 50 DEAA Cc1ccn2c(NC(=O)CCCOc3ccccc3)nnc2n1 1506413768 MHXKEUIAACUKNL-UHFFFAOYSA-N 311.345 2.230 0 50 DEAA O=C(CCc1ccncc1)N1CCCN(Cc2ccoc2)CC1 1529192199 RMKPWJMDFYYNDP-UHFFFAOYSA-N 313.401 2.342 0 50 DEAA Cc1cc(C[C@@H]2CN(C(=O)C3CCCCCC3)C[C@@H]2O)n[nH]1 1529158792 MBIXVBGVKFKQPI-ZBFHGGJFSA-N 305.422 2.050 0 50 DEAA CN1C[C@@H]2CC[C@H](C1)CN2C(=O)CCC(=O)c1ccccc1 222466275 LQZZCZCJBSEHEH-ZBFHGGJFSA-N 300.402 2.202 0 50 DEAA NC[C@H]1CCCN1C(=O)c1cc(F)cc(Br)c1 122305883 CZUZBUGHHPHKPW-LLVKDONJSA-N 301.159 2.152 0 50 DEAA CC(C)(F)C(=O)N[C@@H]1CCN(c2cc(Cl)nc(Cl)n2)C1 1875278964 OYKBKOYJPOPEKI-SSDOTTSWSA-N 321.183 2.226 0 50 DEAA COc1cnc(SC)nc1NS(=O)(=O)c1ccccc1 392457 DWSSVXGSTJHOTL-UHFFFAOYSA-N 311.388 2.008 0 50 DEAA CCOC(=O)c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 444318 RIGRUQHJXUHKGW-ZDUSSCGKSA-N 308.403 2.329 0 50 DEAA CCn1c(-c2ncccn2)nnc1N1CCC(OC(C)C)CC1 1615613809 BYWDTFVMLQGABN-UHFFFAOYSA-N 316.409 2.149 0 50 DEAA COC(=O)c1ccc(CN[C@H]2CC(=O)N(CC(C)(C)C)C2)cc1 12593176 LRXHLEOLDFKPDG-HNNXBMFYSA-N 318.417 2.210 0 50 DEAA CN1CCC(NC(=O)c2cc(Br)cs2)CC1 16604344 CRGHVHFYFJRCPE-UHFFFAOYSA-N 303.225 2.335 0 50 DEAA CC[C@@H](C)N1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 19499922 WECFHTGPDLKETN-CYBMUJFWSA-N 308.422 2.326 0 50 DEAA CCN(CC)CCCNC(=O)/C=C/c1ccc2c(c1)OCO2 2315277 KJPYPBLKSFPWTP-VQHVLOKHSA-N 304.390 2.277 0 50 DEAA aggregator,biogenic O=C(NC[C@H]1C[C@@H]1C1CCCCC1)N1CC[C@@H](n2cncn2)C1 1857532099 PFVIKENUHGFXTR-BZUAXINKSA-N 317.437 2.451 0 50 DEAA Cc1cc(N2CC[C@H](CO)[C@H](O)C2)nc2cc(Cl)ccc12 1875246804 AVQZPJXHLUCBQP-IAQYHMDHSA-N 306.793 2.376 0 50 DEAA CNC[C@H]1CCCN(C(=O)Cc2ccc(OC)cc2Cl)C1 237296914 LHKBOALQMGOTHD-GFCCVEGCSA-N 310.825 2.349 0 50 DEAA c1ccc(C2(c3nc(-c4ccncn4)no3)CCNCC2)cc1 391286402 MZUCRMLLIRKCLW-UHFFFAOYSA-N 307.357 2.196 0 50 DEAA O=C(NCc1nc(C(F)F)no1)[C@@]1(c2ccccc2)CCCO1 823193238 GILWRTSNYWKQNC-HNNXBMFYSA-N 323.299 2.329 0 50 DEAA CCN(c1cccnc1C)S(=O)(=O)c1cc(C2CC2)nn1C 903628613 FKBXEWBQEYYQPR-UHFFFAOYSA-N 320.418 2.216 0 50 DEAA CNCC1CCN(C(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1 911778512 IUDLKVGHSXBCMD-UHFFFAOYSA-N 323.824 2.370 0 50 DEAA O=C(O)Cc1cccc(-c2cncc(C(=O)N3CCCC3)n2)c1 1242262968 YENLNSHNUMRSOD-UHFFFAOYSA-N 311.341 2.007 0 50 DEAA O[C@H](c1cc(F)ccc1F)C1CCN(Cc2cnon2)CC1 852160408 GGCDXZSIJKFDOZ-HNNXBMFYSA-N 309.316 2.293 0 50 DEAA CC(=O)N[C@@H](CSCc1ccc(C(F)(F)F)o1)C(=O)O 1857533537 INHQVWXYXHJEPI-QMMMGPOBSA-N 311.281 2.121 0 50 DEAA Cc1cc(C)n2nc(SCC(=O)NC3CCCCC3)nc2n1 118920 GQKJQNXSSQKJGW-UHFFFAOYSA-N 319.434 2.282 0 50 DEAA CN1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 130265 DDSVXYULRLRKFN-UHFFFAOYSA-N 323.396 2.327 0 50 DEAA O=S1(=O)CCCN1C1CCN(C[C@H]2CCC[C@H](F)C2)CC1 2325771724 JSHDYYQDTSZCBE-KBPBESRZSA-N 318.458 2.015 0 50 DEAA O=C(OCCNc1cncc(Cl)n1)[C@H]1C[C@@H]2CC[C@H](C1)C2=O 2325792535 OCZVDMYEGOSLFA-JGPRNRPPSA-N 323.780 2.090 0 50 DEAA O=C(c1cc(C2CNC2)no1)N1CCC[C@H]1c1ccccc1F 2325801714 STNIMPLCTDVISG-HNNXBMFYSA-N 315.348 2.478 0 50 DEAA Cc1cccc2nc(CNC(=O)[C@H]3CCc4nccn4CC3)cn12 2325805494 NLWJUNLGBGBQBB-AWEZNQCLSA-N 323.400 2.108 0 50 DEAA CCc1ccc(-c2noc(CN3CCC[C@H]3C(=O)OC)n2)cc1 112551946 FQDLWQYZAKTXLL-AWEZNQCLSA-N 315.373 2.436 0 50 DEAA CC(=O)Oc1ccc2oc(C)c(C(=O)N3CCOCC3)c2c1 307764 LAQLXJZYAXKLFV-UHFFFAOYSA-N 303.314 2.139 0 50 DEAA biogenic CCOC(=O)c1ccc(NC(=O)CSc2ncccn2)cc1 582092 MDIVJFBMJJEVDQ-UHFFFAOYSA-N 317.370 2.384 0 50 DEAA CC1=C(C(=O)N(C)C)[C@@H](c2c(F)cccc2Cl)NC(=O)N1 780712 BAHXODCMQLROHF-LBPRGKRZSA-N 311.744 2.195 0 50 DEAA C[C@@H](NS(=O)(=O)c1cccc(C(=O)O)c1)c1ccccc1 2035357 KNUYAGSTPJYRSY-LLVKDONJSA-N 305.355 2.424 0 50 DEAA COC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)CC1=O 4731719 BGANGXWALANMLW-QWRGUYRKSA-N 310.781 2.162 0 50 DEAA COC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(C)c(C)c2)CC1=O 4998762 XKVWAQPYJPKJAW-KGLIPLIRSA-N 304.390 2.125 0 50 DEAA CCCc1c(C)nc(N2CCN(c3ccccc3)CC2)[nH]c1=O 7499192 IRDRKBWOGCWSMT-UHFFFAOYSA-N 312.417 2.357 0 50 DEAA CN1CCC[C@]2(CCN(Cc3ccc4c(c3)CCO4)C2)C1=O 14957902 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322.416 2.461 0 50 DEAA OCCOc1cccc(CN2CC[C@@H](N3CCCCC3)C2)c1 216423832 UFUIDBOHRWACEJ-QGZVFWFLSA-N 304.434 2.118 0 50 DEAA CC(C)c1cc(CN(C)c2cc([C@H]3C[C@@H](N)C3)ncn2)on1 218945866 JYIRTGWVEJOOBI-HAQNSBGRSA-N 301.394 2.429 0 50 DEAA O=C1CCC[C@@H]([C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 226812840 VFOVLFGRGZCFOP-TZMCWYRMSA-N 305.330 2.125 0 50 DEAA O=C(CCCc1nc(C2CC2)no1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 230101676 JYXODVYVWJFWCG-MJBXVCDLSA-N 319.405 2.344 0 50 DEAA CC(C)c1c(C(=O)NCCC(=O)O)cnn1-c1ccc(F)cc1 236708306 OWPVSWSLGNJOOO-UHFFFAOYSA-N 319.336 2.339 0 50 DEAA Cc1cccc(OCCC(=O)N2CC[C@](C)(C(=O)O)C2)c1C 237700251 UJVVCJZBRVNOFY-KRWDZBQOSA-N 305.374 2.396 0 50 DEAA CCc1ccc([C@H]2[C@H](C(C)=O)[C@@](C)(O)CC(=O)[C@H]2C(C)=O)cc1 238901056 KRBJNKWHYJLNPB-YRXWBPOGSA-N 316.397 2.467 0 50 DEAA C[C@@H]1[C@@H](NC(=O)CCC(=O)NC[C@H]2CCCO2)CCC[C@H]1C 238997202 AATZZAUHXKEDHV-BARDWOONSA-N 310.438 2.003 0 50 DEAA CCn1cc(CN(CCO)C(=O)[C@@H]2CCCC(F)(F)C2)cn1 239782365 COABQQBOZVPLAX-CYBMUJFWSA-N 315.364 2.049 0 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299745385 YNENZBNGIQOPEG-YVEFUNNKSA-N 324.388 2.395 0 50 DEAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1cccc(F)c1F)CC2 299772621 AMEJBUOHVKFXQD-AKWBHNSASA-N 311.328 2.109 0 50 DEAA O=C1Nc2ccccc2[C@@H]1CC(=O)N(CCO)Cc1ccccc1 303258962 LIYWJIWCQGLEGZ-INIZCTEOSA-N 324.380 2.134 0 50 DEAA C[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)[C@@H]1C(=O)O 318510347 GTCPDEAPMNVOBZ-BYCMXARLSA-N 303.358 2.012 0 50 DEAA COc1nnc(N2C(=O)CN([C@H](C)c3ccccc3)C2=O)s1 328595309 QVTVQOKDXMNCSA-SECBINFHSA-N 318.358 2.077 0 50 DEAA Cc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CCC(=O)[C@H](C)C2)cc1 328927569 XDUVEEIERILDSY-ZIAGYGMSSA-N 316.401 2.397 0 50 DEAA CCOc1ccc(-c2noc(CN3C[C@@H](F)C[C@H]3CO)n2)cc1 346385626 WZVAPOPJKJHNMH-STQMWFEESA-N 321.352 2.040 0 50 DEAA CN(C)c1cccc(S(=O)(=O)N2CC3(CCC3(F)F)C2)c1 352528715 DZKKOAQSJLAIRM-UHFFFAOYSA-N 316.373 2.172 0 50 DEAA CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(C3CCOCC3)[nH]n2)C1 356189799 JEHHVSIXAFIPJZ-OCCSQVGLSA-N 321.421 2.838 0 50 DEAA COc1ccc(CCCC(=O)N2C[C@H](O)C3(CC3)C2)c(OC)c1 364469069 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CC[C@H](Cn1ccnc1)NC(=O)C1(N2CCCC2)CCCC1 584895684 FWPHHHNWPIBNLS-OAHLLOKOSA-N 304.438 2.187 0 50 DEAA Cc1cc([C@H](NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)C(=O)O)ccc1F 630188165 FETHANDSNHRFMJ-JCRCQARHSA-N 309.337 2.190 0 50 DEAA C[C@H](N)[C@@H]1CCN(C(=O)c2c(C(F)F)nc3ccccn23)C1 638155012 DAPGDUQYPIKPGI-VHSXEESVSA-N 308.332 2.081 0 50 DEAA CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 646558283 QHXPMWWILCSZFS-ZQDZILKHSA-N 311.447 2.014 0 50 DEAA C[C@@H](Cn1cncn1)NCC[C@H](C)N(C)Cc1ccccc1 657898978 HPBPIFAXHCJWLB-HOTGVXAUSA-N 301.438 2.167 0 50 DEAA Cc1cnc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)c(C)c1 779967320 WDERFMMYAKBLCR-CQSZACIVSA-N 315.398 2.073 0 50 DEAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)Cc2nc(C)c(C)o2)C1 886082503 INTRRNOGBAPFPQ-OAGGEKHMSA-N 307.438 2.365 0 50 DEAA O=S(=O)(c1ccc(NC2CCCC2)cc1)N1CCOCC1 891427590 TWYVJVCWQASHNO-UHFFFAOYSA-N 310.419 2.062 0 50 DEAA CCO[C@@H](C(=O)Nc1c(C)cccc1C(=O)O)[C@H]1CCOC1 905267724 ARCSLRZQYWEOQS-SMDDNHRTSA-N 307.346 2.073 0 50 DEAA 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QCXNYSIDCPWMSL-NSHDSACASA-N 324.388 2.104 0 50 DEAA COc1ccc2[nH]c(CNC(=O)CCCn3cccn3)cc2c1 670461945 NUCGTEAPSWNACQ-UHFFFAOYSA-N 312.373 2.470 0 50 DEAA O=C(NC1(c2csc(-c3ncc[nH]3)n2)CC1)C(F)(F)F 1875280248 IXGCIQXZSGHISC-UHFFFAOYSA-N 302.281 2.201 0 50 DEAA COCCCNc1cncc(C(=O)NCc2cccc(C)c2)n1 1875324867 DWTYNLGKPOPAQB-UHFFFAOYSA-N 314.389 2.163 0 50 DEAA CN(C)C(=O)CCn1cc(-c2cc(C(F)(F)F)ccn2)cn1 952881832 DFFSRTTZOBESKE-UHFFFAOYSA-N 312.295 2.442 0 50 DEAA CCOC(=O)c1nc(N(C)Cc2cn[nH]c2)cc(C(C)(C)C)n1 952963922 NMWHRNAZLBGSLK-UHFFFAOYSA-N 317.393 2.310 0 50 DEAA CC(=O)N1C[C@@H](NCc2c(C)noc2C)CC[C@@H]1C(F)(F)F 886065718 RLZAPEKNANVAFR-WCQYABFASA-N 319.327 2.323 0 50 DEAA Cc1nocc1CNC[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C 888078714 OSRIFVWHMRAXEJ-CJNGLKHVSA-N 304.394 2.201 0 50 DEAA CN(C)C(=O)N1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 1565510550 HRRULCAYBVVJGD-PBHICJAKSA-N 313.445 2.232 0 50 DEAA CO[C@@H](CNC(=O)N1CCC[C@@H](c2cn[nH]c2)C1)C(C)(C)C 170063510 IQWXUZPNBQUYAF-OCCSQVGLSA-N 308.426 2.360 0 50 DEAA CCS(=O)(=O)CCNC(=O)Nc1c(F)cccc1Cl 170594550 CGKWQOBUPILCTC-UHFFFAOYSA-N 308.762 2.035 0 50 DEAA CC1=CCC[C@@H](C)[C@@H]1CN(C)C1CCN(S(C)(=O)=O)CC1 170604367 VJFMRWKUJQPHEF-GDBMZVCRSA-N 314.495 2.335 0 50 DEAA O=C(Nc1ccncc1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 170682555 XDTZFACOBCLVOM-GJZGRUSLSA-N 301.390 2.449 0 50 DEAA CCc1ccccc1S(=O)(=O)N[C@@]1(C)CC(C)(C)OC1=O 585086244 VRZUXTNLXYEFHO-HNNXBMFYSA-N 311.403 2.012 0 50 DEAA C[C@H]1C[C@H](C(=O)N2CCC[C@@H]2CS(C)(=O)=O)CC(C)(C)C1 585113734 ZBJSZIMPJWACBE-MELADBBJSA-N 315.479 2.484 0 50 DEAA COc1cccc(C)c1CN[C@H]1CCC[C@H](S(C)(=O)=O)C1 585118177 FYWZDJYUWBEVJV-KBPBESRZSA-N 311.447 2.449 0 50 DEAA Cc1ccnc(-n2nccc2NC(=O)[C@H]2CCCO[C@@H]2C)c1 189517857 XRLXUYZXPYCRBZ-OLZOCXBDSA-N 300.362 2.329 0 50 DEAA Cc1ncc(NC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)cn1 682361643 ITPZTGDNHBIYFJ-CHWFTXMASA-N 301.268 2.079 0 50 DEAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCN(c2cnccc2C)CC1 408469345 FDTBYWZAQJSCFZ-WBVHZDCISA-N 317.433 2.244 0 50 DEAA Cc1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)O)c(C)s1 655600804 ACDMKKNMFSONJZ-ZDUSSCGKSA-N 304.371 2.186 0 50 DEAA Cc1ccsc1[C@H]1CCN(C(=O)c2ccnc(N)c2)C[C@@H]1O 210348618 HGAQREFRWKWOMZ-STQMWFEESA-N 317.414 2.024 0 50 DEAA CC1(C)CC(N2C[C@@H](O)[C@H](Cc3ccccn3)C2)CC(C)(C)N1 1529158463 DMTIOSJQYYUAMH-RHSMWYFYSA-N 317.477 2.226 0 50 DEAA C[C@@H]1CNCCN1C(=O)CCc1cccc(Br)c1 124838893 LOCNXXOZZIQIMQ-LLVKDONJSA-N 311.223 2.202 0 50 DEAA Cc1ccc([C@@H](C)C(=O)N(CCO)Cc2[nH]cnc2C)cc1 1704313261 HZIVAVPLLWYMTQ-CYBMUJFWSA-N 301.390 2.151 0 50 DEAA Cc1ccccc1-n1nnc(C(=O)NCc2ccccc2)c1N 12274860 QIJKASOWYWPRFM-UHFFFAOYSA-N 307.357 2.088 0 50 DEAA O=C(NCc1ccccc1Cl)c1ccc(-n2cnnn2)cc1 12408938 CPBWXHMYIMITEM-UHFFFAOYSA-N 313.748 2.246 0 50 DEAA CCSc1nnc([C@H](C)NC(=O)Cc2ccsc2)n1C 14993287 KJYTWTJDBHPTGZ-VIFPVBQESA-N 310.448 2.409 0 50 DEAA CCCN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CC)c1 16623268 LVIGVDUDDOQMBN-LBPRGKRZSA-N 312.435 2.245 0 50 DEAA C[C@H](NC(=O)C(=O)NCCc1ccccc1F)c1ccccc1 5368745 RAVTYDPRCMIAMC-ZDUSSCGKSA-N 314.360 2.362 0 50 DEAA Cc1cc(OC[C@@H]2CC3CCN2CC3)ccc1NS(C)(=O)=O 1857707660 XXBMWCADJZLUBD-AWEZNQCLSA-N 324.446 2.230 0 50 DEAA c1ccc([C@H]2COC[C@H]3CN(Cc4cscn4)CCN23)cc1 1875243264 YTSXCVSIPKNRBP-IAGOWNOFSA-N 315.442 2.401 0 50 DEAA O=C(c1ccco1)N1CCOC[C@H]1c1ncnn1-c1ccccc1 225464432 UBFGOQZTSXNIPY-AWEZNQCLSA-N 324.340 2.074 0 50 DEAA N[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)C1 237921145 GYCJBECZHNPYHZ-AGIUHOORSA-N 309.207 2.112 0 50 DEAA C[C@@H](C[S@@](C)=O)NC(=O)N1CCC=C(c2ccccc2)C1 240540912 GQEUPAMWZVJAST-YEJXKQKISA-N 306.431 2.252 0 50 DEAA C[C@]1(O)CCOC2(CCN(C(=O)c3ccc(O)cc3F)CC2)C1 1704297380 PEJFMZUACNIYIQ-INIZCTEOSA-N 323.364 2.068 0 50 DEAA Cc1ccc(C)c(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1 1704299437 PSWKJZKEBROWCP-IEBWSBKVSA-N 316.445 2.222 0 50 DEAA C[C@@H]1CC2(CO1)CC(NC(=O)C13CCC(C(=O)O)(CC1)CC3)C2 907984092 PDZVHLOODUZLHH-KFLICUBZSA-N 321.417 2.485 0 50 DEAA CCn1cc(O[C@@H]2COC[C@@H]2NCc2cc(F)ccc2F)cn1 818230074 CEKVKODSEFLKKI-JKSUJKDBSA-N 323.343 2.117 0 50 DEAA Cc1nnc(CN(C)Cc2nc(O)c3sccc3n2)s1 299764770 FCOHNUFFOGJSNJ-UHFFFAOYSA-N 307.404 2.189 0 50 DEAA C[C@@H]1CC(=O)NCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 371057682 WWSXZTNAGMJEOS-SECBINFHSA-N 315.200 2.273 0 50 DEAA O=c1c2c(cnn1CCc1ccc3ccccc3c1)CNCC2 2325783387 VWKMHQRTIKTEDA-UHFFFAOYSA-N 305.381 2.285 0 50 DEAA FC(F)c1cc(Nc2ccc3c(c2)CNCC3)n2ncnc2n1 905627123 HIDQSGVGZZNTOU-UHFFFAOYSA-N 316.315 2.451 0 50 DEAA C[C@@H](NC[C@@H](O)Cn1c2ccccc2c2ccccc21)C(=O)O 4178717 BOOPJKPMMIBCMF-CHWSQXEVSA-N 312.369 2.218 0 50 DEAA CSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccccc1C 4944533 YCIAXEHCECEKON-LLVKDONJSA-N 315.398 2.285 0 50 DEAA O=C(CN1CCCCCC1)N1CCN(c2ccccc2F)CC1 61803974 SOIZVZUUABGCGR-UHFFFAOYSA-N 319.424 2.350 0 50 DEAA O=C(O)[C@@H]1CCCCN1C(=O)C[C@@H]1OCCc2ccccc21 136475309 NGDQPUJUHSPSEA-GJZGRUSLSA-N 303.358 2.156 0 50 DEAA COc1ccc(Br)cc1C(=O)NC[C@@H]1CCCO1 4840993 FTOLQMZOPYYZLZ-JTQLQIEISA-N 314.179 2.367 0 50 DEAA Cc1cc(Cc2cnc(N)nc2N)c2cccnc2c1N(C)C 989 AIOWJIMWVFWROP-UHFFFAOYSA-N 308.389 2.154 0 50 DEAA biogenic,in-man CN1C(=O)[C@H](O)N=C(c2ccccc2)c2cc(Cl)ccc21 740 SEQDDYPDSLOBDC-HNNXBMFYSA-N 300.745 2.472 0 50 DEAA biogenic,fda Cc1ccccc1NC(=O)CC(=O)N(C)Cc1snnc1C 65386783 IYZDCULOGOESFC-UHFFFAOYSA-N 318.402 2.142 0 50 DEAA CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(C)ccc1F 253420100 XIYSELOKUFAIRB-ZDUSSCGKSA-N 314.426 2.239 0 50 DEAA O=C(O)c1ccc(N2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1 218966921 DOMCBJMLZUQNJF-AWEZNQCLSA-N 314.385 2.390 0 50 DEAA CCc1ocnc1C(=O)NCc1cccnc1N(CC)CC 39400489 BNPNWGDRJLPREH-UHFFFAOYSA-N 302.378 2.408 0 50 DEAA CC(=O)c1cc(CN2CCC[C@@H](c3n[nH]c(C)n3)C2)n(C)c1 215816210 OSLGGRXRQMYXPQ-CYBMUJFWSA-N 301.394 2.034 0 50 DEAA CN(CCc1cccs1)C(=O)[C@@H]1CCO[C@H]1c1ccnn1C 328634876 UJVVRVJPEURGSV-UKRRQHHQSA-N 319.430 2.260 0 50 DEAA CCn1cnnc1[C@H]1CN(Cc2ncc(C(C)C)s2)CCO1 328621744 ASGJAPATKPJKTK-GFCCVEGCSA-N 321.450 2.451 0 50 DEAA COc1ccc([C@H](C)CN2CCO[C@@H](c3nncn3C)C2)cc1 328656944 ZVJDGVOEIORENY-CZUORRHYSA-N 316.405 2.001 0 50 DEAA CC[C@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CCN1C(C)C 77284708 FRZMDRFWWNJYSD-HNNXBMFYSA-N 306.454 2.290 0 50 DEAA CC(C)(C(=O)NC[C@H]1CCCCN1CCO)c1ccc(F)cc1 331333271 PIPARLSWZYCIAZ-MRXNPFEDSA-N 322.424 2.066 0 50 DEAA C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccn(CC(=O)O)n2)o1 122848852 ZKOIFZCNHBYVFY-PEWKINPCSA-N 315.329 2.336 0 50 DEAA Cc1ccc([C@@]2(C)CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)cc1 329141163 UBZZCYKWQSQLIG-KUHUBIRLSA-N 324.428 2.408 0 50 DEAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCn2nccc21 367021202 LLQSNIQYZKNNNE-INIZCTEOSA-N 322.368 2.194 0 50 DEAA COc1cc(C(=O)NCc2ccc(C(=O)O)o2)cc(OC)c1C 261730646 MTWSVPMZTAYEEO-UHFFFAOYSA-N 319.313 2.233 0 50 DEAA CC1(C)[C@H](NC(=O)Cn2cc3ccccc3n2)[C@H]2CCCO[C@H]21 332964668 ZZBKZVODHWHGFY-KBRIMQKVSA-N 313.401 2.356 0 50 DEAA CCCN1CCCC[C@H]1C(=O)NCc1ccc(C(=O)O)cc1 236762855 XJFMXDQSXBMNDR-HNNXBMFYSA-N 304.390 2.266 0 50 DEAA CCCc1cc(NCc2nnc3ccccn23)n2nccc2n1 72426522 JLIKJTZFBWQQEO-UHFFFAOYSA-N 307.361 2.337 0 50 DEAA NC(=O)[C@H]1CN(Cc2ccc(Oc3ccccc3)cc2)CCO1 215511971 BYSDQJYKXYAKHB-QGZVFWFLSA-N 312.369 2.165 0 50 DEAA CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[C@@](C)(O)c1ccccc1 378561954 JBPJIHPOSIIAHI-ZIFCJYIRSA-N 316.445 2.369 0 50 DEAA Cc1ccc(Cl)c2ccc(N3CCC[C@](O)(C(N)=O)C3)nc12 284616207 MBZWJKWEOQCDIR-MRXNPFEDSA-N 319.792 2.013 0 50 DEAA COC(=O)CC1CCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC1 343165653 UFTSZTMKIBWGGS-LLVKDONJSA-N 321.421 2.322 0 50 DEAA COc1ccccc1N1CCN(C(=O)CSC(C)C)CC1=O 82114418 DOCINKLESBWYCK-UHFFFAOYSA-N 322.430 2.012 0 50 DEAA Cc1ccsc1CCNC(=O)N1CCC(n2cnnc2)CC1 426472718 JBLLAQBKPKHRJC-UHFFFAOYSA-N 319.434 2.237 0 50 DEAA CCN1CCN(c2nc(N3CCCC3)c3ccccc3n2)CC1 41148313 SUGAHTWWIIPWJQ-UHFFFAOYSA-N 311.433 2.372 0 50 DEAA Cc1cnc(C)c(-c2ccc(C(=O)N(C)CCN(C)C)cc2)n1 426491028 IBBFXFLILVTLFC-UHFFFAOYSA-N 312.417 2.394 0 50 DEAA COC[C@@H](c1ccccn1)N(C)C(=O)c1ncoc1C1CC1 97675359 DZLVSCYGNSJUBV-ZDUSSCGKSA-N 301.346 2.407 0 50 DEAA O=C(O)CCN1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 91563333 ZFTWUIQYHYYSDB-ZWKOTPCHSA-N 316.445 2.490 0 50 DEAA COC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C 97674263 JRTBWQRPLBRXCK-CQSZACIVSA-N 302.374 2.233 0 50 DEAA CC(C)C[C@H](NC(=O)c1cn2ccsc2n1)c1ncnn1C 92038536 VZJILTPOWAACJS-JTQLQIEISA-N 318.406 2.042 0 50 DEAA CCc1nn(C)c(Cl)c1C(=O)NCCc1ncccc1C 296523857 WADAIKROESRNJN-UHFFFAOYSA-N 306.797 2.312 0 50 DEAA Cc1ncccc1CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 626771348 AFCOMNZZHYGWOF-KWCYVHTRSA-N 319.405 2.325 0 50 DEAA C[C@](O)(Cc1ccccc1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 268925969 VYJPQYMZQBJWRH-NZSAHSFTSA-N 317.429 2.134 0 50 DEAA CC(C)c1nnc([C@@H](C)NC(=O)c2cnc(O)c(Cl)c2)o1 299790211 ATDITVMFJRACGQ-SSDOTTSWSA-N 310.741 2.438 0 50 DEAA O[C@]1(CNCc2cc(-c3cccnc3)n[nH]2)CCc2ccccc21 752123676 VYQIXQQYTZLZRH-IBGZPJMESA-N 320.396 2.395 0 50 DEAA O=c1c2[nH]c3ccc(Cl)cc3c2cnn1C1CCNCC1 1875317129 OHBCZSYALKELCQ-UHFFFAOYSA-N 302.765 2.456 0 50 DEAA CCN1C(=O)C[C@H](C(=O)N2C[C@H]3CC[C@@H]2C3)[C@H]1c1cccnc1 1875313552 UIBFAVSFRYVDGE-PWXKEOIMSA-N 313.401 2.002 0 50 DEAA CC1(C)CN[C@H]1C1CCN(Cc2nnc3n2CCCCC3)CC1 952877352 OMINBPJPCQPPCP-KRWDZBQOSA-N 317.481 2.215 0 50 DEAA Cc1ccnc(C[C@@H]2CC[C@H](CN(C)Cc3cccnc3)O2)n1 952854491 FFPAVHMRNSQZMA-DLBZAZTESA-N 312.417 2.402 0 50 DEAA O=C(Cc1c(F)cccc1F)Nc1ccc([C@@H]2CCCN2)nn1 886085620 XHKJWMMYTXMSQG-ZDUSSCGKSA-N 318.327 2.361 0 50 DEAA CCc1nocc1CN(C)C[C@H]1CCO[C@@H]1c1cnn(C)c1 886074681 NPUJJMRMWKCSGS-WBMJQRKESA-N 304.394 2.180 0 50 DEAA CCNC(=O)c1cc(NC(=O)N[C@@](C)(CC)CO)c(C)s1 889399336 FQUIOIPKTKMIAH-AWEZNQCLSA-N 313.423 2.089 0 50 DEAA CS(=O)(=O)C[C@H]1CCCCN1Cc1nccc2c1CCCC2 894736724 YQRWXEDMOPSSIF-OAHLLOKOSA-N 322.474 2.360 0 50 DEAA O=C(CC[C@@H]1CCCO1)N=[S@]1(=O)CCNc2ccccc21 1775989820 SJMNYVAHXGCUOR-QKVFXAPYSA-N 308.403 2.425 0 50 DEAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1csc2c1CCCC2 1565509349 XTKLHXCDGATPND-MWNCTCPHSA-N 320.458 2.074 0 50 DEAA CCS(=O)(=O)c1cccc(-c2nc([C@H]3CCCO3)no2)c1 274077728 GAQAXPBCLLPEDE-GFCCVEGCSA-N 308.359 2.382 0 50 DEAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(F)cn1 276123658 YMBWGPMXOGGWNP-AAEUAGOBSA-N 319.340 2.089 0 50 DEAA CSc1ccc(CN2CCN(C)[C@H](c3nc(C)no3)C2)o1 583651064 GSMFDYFTAXEHKB-LBPRGKRZSA-N 308.407 2.182 0 50 DEAA CC(C)(CCCO)CNS(=O)(=O)CC=C(Cl)Cl 585115532 FPBQQRFUYMBJFR-UHFFFAOYSA-N 304.239 2.024 0 50 DEAA C[C@@H](O)CCCCCC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 585121184 IADIKXJEYFCSAD-GDBMZVCRSA-N 324.465 2.083 0 50 DEAA Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCNCC3)CC2)c1 653147915 GFAWITWWPTWWOM-KRWDZBQOSA-N 315.461 2.342 0 50 DEAA Cc1nn(-c2ccccc2)cc1CN[C@H](C(N)=O)C(C)(C)C 195573581 JWPRGMMDNGKGFS-OAHLLOKOSA-N 300.406 2.170 0 50 DEAA COc1nsc(OC)c1CNC(=O)/C(F)=C(\C)C1CC1 1615547709 LTVPIUQWLPFOKX-YFHOEESVSA-N 300.355 2.430 0 50 DEAA CCC[C@@H]1COC[C@@H]2CN(C(=O)CCc3ccccc3)CCN21 1616070529 UXVXKOIVJWEJAZ-MSOLQXFVSA-N 316.445 2.331 0 50 DEAA CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1conc1COC 1615051100 VZFSRGMMHQDXFF-LBPRGKRZSA-N 312.366 2.013 0 50 DEAA Fc1ccccc1OC1CCN(CC[C@H]2COCCO2)CC1 1775980377 ACRFTQARTZHVBH-HNNXBMFYSA-N 309.381 2.474 0 50 DEAA Cc1ccc2c(C(=O)N3CCC(Cn4cccn4)CC3)cnn2c1 1772709005 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2.132 0 50 DEAA OC[C@]12COCC[C@H]1CN(CCOc1ccc(Cl)cc1)C2 1857669225 HJJJIRUHYGPINZ-XJKSGUPXSA-N 311.809 2.050 0 50 DEAA CCOCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCNC1 236960125 HOZIQTKDWJXTRJ-NSHDSACASA-N 312.797 2.303 0 50 DEAA COC[C@]1(C)CN(Cc2cccc(C(=O)O)c2Cl)CCO1 629380009 VDFQNFSMOBDYOK-HNNXBMFYSA-N 313.781 2.276 0 50 DEAA CCn1cc(C2CCN(C(=O)c3cccnc3O)CC2)cn1 124143704 QSWPJRCGFOPVSD-UHFFFAOYSA-N 300.362 2.023 0 50 DEAA O=C(O)CN(C1CCC1)S(=O)(=O)Cc1ccccc1Cl 653495775 ZEPPEUMUSBKREF-UHFFFAOYSA-N 317.794 2.109 0 50 DEAA C[C@@](O)(CNC(=O)CNC(=O)CC1CCCC1)C1CCCCC1 252498889 RPBSPPAYHBDMTK-GOSISDBHSA-N 324.465 2.130 0 50 DEAA Cn1cccc1[C@H]1COCCN1C(=O)COc1ccccc1F 163810936 WLDMHIMKQHFKIB-OAHLLOKOSA-N 318.348 2.143 0 50 DEAA C[C@@H](CNC(=O)N[C@@H](C)c1cnn(C)c1)Oc1cccc(F)c1 266551598 SEFZHDFEFHASAG-RYUDHWBXSA-N 320.368 2.387 0 50 DEAA CC(C)Nc1cc(F)ccc1NC(=O)c1cc(C(=O)O)nn1C 901951186 DJYHAQYMPKHPBY-UHFFFAOYSA-N 320.324 2.330 0 50 DEAA C[C@H](NC(=O)CN1CCn2ccnc21)c1ccccc1Cl 931529887 XAEGTDFNWGWOLJ-NSHDSACASA-N 304.781 2.234 0 50 DEAA C[C@@H](CN)n1cc(COc2ccccc2Br)nn1 2325796355 KWQGDVFZUJNCNX-VIFPVBQESA-N 311.183 2.139 0 50 DEAA Cc1nc(C(=O)NCc2ccc(CN)cc2F)c2ccccn12 2325857514 DWGTWUCYTMZWAD-UHFFFAOYSA-N 312.348 2.171 0 50 DEAA O=C(O)c1ccc(OC[C@H](O)Cn2cnc3ccccc32)cc1 98501 GCLQRRKSNUDMPL-CYBMUJFWSA-N 312.325 2.174 0 50 DEAA COc1ccc(N2C(=O)CC[C@@]2(C(N)=O)c2ccccc2)cc1 301600 RKHVUTXNFFOMQE-SFHVURJKSA-N 310.353 2.203 0 50 DEAA CCC[C@]1(C(=O)O)CCN(c2ncnc3sccc23)C[C@H]1O 2356136414 UANDCKGVGOJURK-ABAIWWIYSA-N 321.402 2.133 0 50 DEAA CCc1nnc(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)nc1CC 225647031 KPXWBLZPJTVSKV-XJKSGUPXSA-N 316.380 2.448 0 50 DEAA O=C(CSc1nnc(S)s1)Nc1ccc(F)nc1 135012686 YTMFUNFLTZHVLY-UHFFFAOYSA-N 302.381 2.092 0 50 DEAA Cc1cccnc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621303 ZWYWJUUQCKNFTA-UHFFFAOYSA-N 321.336 2.219 0 50 DEAA CC[C@@H](CNC(=O)CCC(=O)Nc1cc(C)ccc1F)OC 55197342 WMTYWUKFNPYSDQ-LBPRGKRZSA-N 310.369 2.394 0 50 DEAA CN1CC[C@H](NC(=O)[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 252477816 VVSJTYSUTRDFRD-RRFJBIMHSA-N 308.809 2.380 0 50 DEAA CC(C)=CCN1CCC[C@@H](CCNC(=O)C2CCNCC2)C1 67679252 OFFUATREBOUNOA-INIZCTEOSA-N 307.482 2.171 0 50 DEAA Cc1ccccc1[C@@H](O)CN[C@H]1CCO[C@@H]1c1cnn(C)c1C 328618757 FAWRPXQQGNLPJY-OKZBNKHCSA-N 315.417 2.190 0 50 DEAA COC(=O)c1sccc1NC(=O)Cc1ccccc1C(=O)O 384260 DQNMSZSPSGWMBM-UHFFFAOYSA-N 319.338 2.414 0 50 DEAA C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1nccs1 2790834 AOXCEESACKILTC-ZETCQYMHSA-N 315.196 2.377 0 50 DEAA COC(=O)c1cc(-c2c(C)nn(C)c2C)nc2c1c(C)nn2C 2741057 NTSUDUNQWUVFQY-UHFFFAOYSA-N 313.361 2.081 0 50 DEAA Cc1c(Br)cnn1[C@H](C)C(=O)NCc1ccco1 2802249 LZFGSHQKYQYIEP-SECBINFHSA-N 312.167 2.424 0 50 DEAA C[C@H](CCc1cccn1C)Nc1ncnc2c1NC(=O)CS2 365584725 FDHDVTFJZAVSGY-SNVBAGLBSA-N 317.418 2.293 0 50 DEAA COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H](N)CCSC)C2)cc1 237229167 ANWFZRYLZBRCOV-BJJXKVORSA-N 322.474 2.480 0 50 DEAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)Cc2cccs2)C1 77436414 HKGDXXYDCHMPGM-LBPRGKRZSA-N 317.414 2.146 0 50 DEAA C[C@@H](N)[C@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 156387301 QLXUWXOGEYPEJZ-ZBFHGGJFSA-N 312.417 2.001 0 50 DEAA COc1ccc(-n2cccn2)c(CN(C)Cc2cnn(C)c2)c1 216140393 ZXYBBZXKSDSCLC-UHFFFAOYSA-N 311.389 2.246 0 50 DEAA C[C@]1(C(=O)O)CCN(C(=O)[C@H]2SCCc3sccc32)C1 237650699 DZOZZZKQWPSFSM-FZMZJTMJSA-N 311.428 2.402 0 50 DEAA O=C([C@H]1CC12CCNCC2)N1CCO[C@@H](c2ccccc2F)C1 237879653 LHKHPLBTRWRCDN-GDBMZVCRSA-N 318.392 2.115 0 50 DEAA O=C(NCc1ccc2ncccc2c1)[C@@H]1CCn2cncc2C1 376442379 PXHMUAKMMHEMIQ-OAHLLOKOSA-N 306.369 2.310 0 50 DEAA Cc1cscc1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 376521195 YXWFBXKIATWABZ-KGLIPLIRSA-N 310.419 2.146 0 50 DEAA Cc1cc([C@H](NC(=O)c2c(C)noc2C)C(=O)O)ccc1F 263024887 MIRPOLNXJSWTGN-ZDUSSCGKSA-N 306.293 2.295 0 50 DEAA CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@H]1COCCO1 72473122 MCEDWOHUMXDXKH-CQSZACIVSA-N 318.398 2.184 0 50 DEAA Cc1ccccc1[C@@H]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]2C)C1 242197031 XHFSBVHVZUGTHI-BFYDXBDKSA-N 314.429 2.473 0 50 DEAA Cc1scc(C(=O)NN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1C 17031338 SJEANPRXYASADQ-GHMZBOCLSA-N 306.387 2.185 0 50 DEAA O=S(=O)(N[C@@H]1CCCCC[C@H]1O)c1cccc2cnccc12 287523893 UAPXIUOBWDKVSE-HUUCEWRRSA-N 320.414 2.207 0 50 DEAA COc1cccc([C@@H]2CCN2C(=O)[C@@H]2CC(=O)N(C(C)C)C2)c1 20560571 SAZVQIGTDSETPQ-ZBFHGGJFSA-N 316.401 2.226 0 50 DEAA Cc1ccc(C2(O)CCN(C(=O)C[C@@H]3CCCOC3)CC2)nc1 426666994 MLXIEQZSCTYOGM-HNNXBMFYSA-N 318.417 2.017 0 50 DEAA CC(C)c1cc(C(=O)N2CCN(Cc3ccco3)CC2)n(C)n1 332119298 WAECCBMOQOMLIQ-UHFFFAOYSA-N 316.405 2.095 0 50 DEAA Cc1nc(CCNC(=O)N2CCC(F)(F)CC2)nc2c1CCC2 426369917 IOPMVCIFUFPZNE-UHFFFAOYSA-N 324.375 2.257 0 50 DEAA CN(Cc1n[nH]c2c1CCC2)C(=O)c1ccc2c(c1)CCCO2 426489297 BLHXUSYBTPJTON-UHFFFAOYSA-N 311.385 2.496 0 50 DEAA O=C(NCCc1ccncc1)[C@H]1CCCN(Cc2ccco2)C1 95367396 JXYCPMANACIQRK-INIZCTEOSA-N 313.401 2.246 0 50 DEAA COc1nccnc1N1CCN(Cc2cccc(Cl)c2)CC1 95363134 YPQISQKZBJFLLY-UHFFFAOYSA-N 318.808 2.461 0 50 DEAA COc1cccc2c1OC[C@H](CNC(=O)CC(F)(F)F)C2 95367756 WNPSNPYXZABASL-VIFPVBQESA-N 303.280 2.315 0 50 DEAA O=C(c1sc2cccc(F)c2c1Cl)N1C[C@@H](O)CO1 92021735 HKOQPKGXNVRHFY-ZCFIWIBFSA-N 301.726 2.442 0 50 DEAA Cc1cc(CNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)no1 95520865 DZFOTVCTFXKDHD-UHFFFAOYSA-N 324.340 2.162 0 50 DEAA CNc1nc(CN2CCC(N3CCSCC3)CC2)cs1 244719142 LXWUNTSIRKKZFB-UHFFFAOYSA-N 312.508 2.198 0 50 DEAA Cc1nc(N[C@@H]2CCN(c3ccccc3F)C2)cc2nncn12 298896389 NCHIVKCANADIPZ-GFCCVEGCSA-N 312.352 2.263 0 50 DEAA CC(C)[C@H](NC(=O)c1cc(C(=O)O)co1)c1nc(C2CC2)no1 183784299 UHUBWSGWJWOLEV-NSHDSACASA-N 319.317 2.365 0 50 DEAA CCn1ncc(-c2ccc(OC)c(OC)c2OC)c1C(=O)O 534655504 ATSRWHHVSXYNJA-UHFFFAOYSA-N 306.318 2.294 0 50 DEAA CNc1ccc(-c2cccc(C(=O)NCCOCCO)c2)cc1 299758120 CMXGSCAOHBGXBS-UHFFFAOYSA-N 314.385 2.134 0 50 DEAA CN(CCCc1nccn1C)Cc1nnc(-c2ccco2)o1 299760973 QAKDRKJTDLCCMS-UHFFFAOYSA-N 301.350 2.128 0 50 DEAA CC(=O)c1cc(CC(=O)N[C@@H](c2ncnn2C)C(C)C)cs1 299792032 CSFGBUWVLKGOHC-CQSZACIVSA-N 320.418 2.135 0 50 DEAA Cc1cccc(NC(=O)CCNC(=O)c2ccn(C(F)F)n2)c1 670473382 DCLYGQMETFWJOK-UHFFFAOYSA-N 322.315 2.345 0 50 DEAA C[C@@H]1CCn2cc(C(=O)N3CCCC(C)(C)[C@@H]3C(=O)O)nc2C1 1875318944 MZMSLQAQEGCHND-RISCZKNCSA-N 319.405 2.181 0 50 DEAA CC(=O)N1CCCC[C@H]1CC(=O)Nc1ccc([C@H](C)O)cc1 1875301419 JIBKMXUEEDOFNI-LRDDRELGSA-N 304.390 2.470 0 50 DEAA CC1(CS(=O)(=O)NCc2ccc(Cn3cccn3)cc2)CC1 952876904 HJNMNPKYGCJWKX-UHFFFAOYSA-N 319.430 2.151 0 50 DEAA CCOC(=O)[C@@H](F)[C@H]1CCN(Cc2c(C)nsc2C)C1 952964111 POVNOYPUBZOGAG-AAEUAGOBSA-N 300.399 2.483 0 50 DEAA Cc1cc(C)c2ncc(C(=O)NC[C@H](C)[S@](C)=O)c(O)c2c1 165323868 VBZDFSZCIWDOSA-KPWVOAKYSA-N 320.414 2.054 0 50 DEAA C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc(C(=O)O)cc1 887557210 BMURMBAOJCTKQN-SWLSCSKDSA-N 302.374 2.084 0 50 DEAA COc1cccc2c1C(=O)O[C@@H]2S(=O)(=O)c1ccccc1 43794434 BNOAFLKWYXXZHU-OAHLLOKOSA-N 304.323 2.338 0 50 DEAA in-vitro Cc1occc1CN(C)C(=O)c1cn(C)nc1[C@@H]1CCOC1 275445120 GGFQYTDOAVUJRJ-CYBMUJFWSA-N 303.362 2.098 0 50 DEAA Cc1noc([C@H]2C[C@@H](O)CN2Cc2ccc([C@@H]3C[C@@H]3C)o2)n1 275646288 UAHCBDLELLVFPF-RMIQQSQVSA-N 303.362 2.402 0 50 DEAA Cc1nc(C)c(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)s1 276316869 NRQOVIIXFROEKV-UONOGXRCSA-N 321.450 2.117 0 50 DEAA Nc1nccnc1C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 279130610 BDBMRGKCUIOUOP-RYUDHWBXSA-N 309.373 2.300 0 50 DEAA NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc3ncsc3c2)C1 171435469 KHKWVBAHPHXRRD-NSHDSACASA-N 317.414 2.414 0 50 DEAA O=C(c1ccccc1-c1cn[nH]c1)N1CC[C@H](N2CCCC2)C1 635479866 LOERLMIDRHMDHG-HNNXBMFYSA-N 310.401 2.387 0 50 DEAA O[C@@H]1CCN([C@@H]2CCC[C@@H]2N[C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 639372121 KLALRFLBCSHOHA-VEAXJEOVSA-N 322.493 2.159 0 50 DEAA c1ccc2c(N3CCN(CCCn4ccnc4)CC3)ncnc2c1 1506426971 QVIDLJMMCUWHEZ-UHFFFAOYSA-N 322.416 2.039 0 50 DEAA CO[C@H]1COC[C@@H]1Nc1cc(Sc2cccs2)nc(N)n1 1529102133 XUORQYCUOVHOLR-IUCAKERBSA-N 324.431 2.097 0 50 DEAA CC(C)Cc1noc([C@H]2CCCN(c3nc(C(=O)O)co3)C2)n1 1529120845 OTHSLNOIQJLEOZ-JTQLQIEISA-N 320.349 2.338 0 50 DEAA Cc1ccnc(N2CCC[C@@]3(CCc4cnc(N(C)C)nc43)C2)n1 1704337992 JLFMDKDLLFMCGK-GOSISDBHSA-N 324.432 2.125 0 50 DEAA Cc1cc(C[C@@H]2CN(c3nc(C)nc4ccccc34)C[C@@H]2O)on1 1704315316 RSENEXSACUXLED-DYVFJYSZSA-N 324.384 2.274 0 50 DEAA O=C([C@H]1CSCCS1)N1CCC(c2ncccn2)CC1 1616039064 VZYXMIXPITWNHA-GFCCVEGCSA-N 309.460 2.031 0 50 DEAA C[C@@H](Oc1ccccc1)C(=O)N1CCN(Cc2ccco2)CC1 12380436 JBEOOQFDPDCHKK-OAHLLOKOSA-N 314.385 2.391 0 50 DEAA Cc1cccnc1CCNC(=O)[C@@H]1CC(=O)OC12CCCCC2 19794845 UDMKJNNEKIJOGN-AWEZNQCLSA-N 316.401 2.315 0 50 DEAA O=C(NCCOC(=O)c1ccc(Cl)cc1)c1cccnc1 2665419 GYVCIPIBYCQEHH-UHFFFAOYSA-N 304.733 2.322 0 50 DEAA Cc1ccc(F)cc1C(=O)N[C@@H]1C[C@H]2CO[C@H](C(C)C)CN2C1 1857736714 RVLXPNOZJJVOEU-VYDXJSESSA-N 320.408 2.362 0 50 DEAA CNc1nc(C)cc(C(=O)Nc2cc(CN(C)C)ccc2C)n1 225805283 HVBXRUGIRUNLBU-UHFFFAOYSA-N 313.405 2.449 0 50 DEAA CCc1cc2c(N3CCC[C@@](O)(CN(C)C)C3)ncnc2s1 631344818 UKNPMMNYTDVXGN-MRXNPFEDSA-N 320.462 2.147 0 50 DEAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccc(Cl)cc1 644073195 JJCZHOMPFSVPDC-KFWWJZLASA-N 308.809 2.058 0 50 DEAA 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Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc(C)nn1 866587066 HOAJUOZCYZGXSM-CQSZACIVSA-N 303.387 2.059 0 50 DEAA CC(C)C[C@@H]1C[C@](C)(C(=O)N[C@H]2C[C@@H](c3ncc[nH]3)C2)OC1=O 1875396722 SIYOXIQBKPBDNL-KOFHJDLBSA-N 319.405 2.140 0 50 DEAA Cc1ccc2sc(C(=O)N3CCCO[C@@H](CN)C3)cc2c1 1875312374 MGTRJGXKVFVCQT-ZDUSSCGKSA-N 304.415 2.400 0 50 DEAA CCCCNC(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 952883164 XDJOSEULQCWMGL-SECBINFHSA-N 319.331 2.002 0 50 DEAA Cc1cc(NC(=O)[C@H]2Cc3ccccc3S2(=O)=O)cnc1C 1875270328 FVYLEDIRONFZGN-OAHLLOKOSA-N 316.382 2.036 0 50 DEAA CC(C)Cc1cc(C(=O)N2C[C@H]3CC=CC[C@H]3C2)nc(N)n1 952975800 LJUWRNSKSHKMNL-BETUJISGSA-N 300.406 2.296 0 50 DEAA COc1cccc2c1OC[C@H](NCc1cc(C(C)=O)cn1C)C2 952968078 AIWIUNBWOAFOHR-OAHLLOKOSA-N 314.385 2.330 0 50 DEAA Cn1ccnc1[C@H](N[C@H]1CCC[C@H]1Oc1cn[nH]c1)C1CC1 1775960401 JUYMTQPTEGSOFQ-RRFJBIMHSA-N 301.394 2.184 0 50 DEAA Oc1ccc([C@@H]2CN(c3ncnc4c3CCCC4)CCN2)cc1 1434446332 LJWPHHBQUSCMQO-KRWDZBQOSA-N 310.401 2.212 0 50 DEAA CC(C)=CCCN1CC[C@H](NC(=O)c2ccccc2)[C@@H](O)C1 1565515964 SNSTWYWWSFUVLN-IRXDYDNUSA-N 302.418 2.208 0 50 DEAA CCc1cc(CN2C[C@@H]3CC[C@H]2CN(c2ncccn2)C3)on1 1565528349 MHIGRCQLMFLXDD-ZFWWWQNUSA-N 313.405 2.128 0 50 DEAA Cc1nc(C)n(C2CN(C(=O)CCCc3csc(C)n3)C2)n1 670397748 ILPQMPDAIDYKFK-UHFFFAOYSA-N 319.434 2.066 0 50 DEAA COC1(CNC(=O)c2cnc(-c3ccccc3)[nH]2)CCOCC1 676624168 BOGVAKDSZGCZAC-UHFFFAOYSA-N 315.373 2.002 0 50 DEAA CCN(CC)CC[C@H](CO)NCc1c(C)nc2sc(C)cn12 585118167 FCDBUISZAJFFST-CQSZACIVSA-N 324.494 2.195 0 50 DEAA CCS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)n1ccnc1 585115310 VSGDTSBJYWZWGB-ZDUSSCGKSA-N 313.810 2.065 0 50 DEAA CCO[C@H]1C[C@](O)(CNc2ccc(C(F)(F)F)nn2)C1(C)C 191744755 FHODKNZMMKAQAL-GWCFXTLKSA-N 319.327 2.473 0 50 DEAA C[C@@H](NC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccnc1 195242242 ZPCSDKKKTIOENW-UKRRQHHQSA-N 324.384 2.247 0 50 DEAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc3oc(O)nc3n2)on1 666454145 GRUAPXDPBPSCJR-JTQLQIEISA-N 314.301 2.202 0 50 DEAA O=C(CCc1ccccc1Cl)N(CCO)Cc1ncc[nH]1 1704311091 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318.465 2.165 0 50 DEAA CCn1ccnc1CN1CCN(c2nc(C)cs2)[C@@H](C)C1 229370787 CWFXOPSTOYIFSC-ZDUSSCGKSA-N 305.451 2.379 0 50 DEAA Cc1ccc(CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)o1 31420885 JVFBWUTZTOHOGP-CYBMUJFWSA-N 304.390 2.038 0 50 DEAA CN(C(=O)CCc1nnc(C2CCCC2)o1)c1ccn(C)n1 330039341 BXENFVGQFIUOKE-UHFFFAOYSA-N 303.366 2.056 0 50 DEAA CCOC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccsc1 77285988 VOZFTWWXMMTMAG-NSHDSACASA-N 317.432 2.245 0 50 DEAA CCc1ccc(CCC(=O)N2CCC[C@]3(CNC(=O)O3)C2)cc1 72170056 ONNKGLAXWDJIBI-SFHVURJKSA-N 316.401 2.283 0 50 DEAA COCCNc1cc(-c2ccccc2C(N)=O)c2cc[nH]c2n1 72164601 OHNGAYUUKSNJGG-UHFFFAOYSA-N 310.357 2.387 0 50 DEAA Cc1cc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)c(C)o1 331796330 PHNXFJPLKYPTPL-WFASDCNBSA-N 303.362 2.280 0 50 DEAA O=C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)NCC1CCCCC1 333485480 YLRNNZXFZLIKEN-DJIMGWMZSA-N 306.450 2.230 0 50 DEAA C[C@H](NS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 17031180 OQFGMHPBIMCDPH-NSHDSACASA-N 305.355 2.455 0 50 DEAA Cn1cc(CCC(=O)NC2(c3cc(F)ccc3F)CC2)cn1 214984008 PPMFPNYWMQCNIX-UHFFFAOYSA-N 305.328 2.436 0 50 DEAA O=C1NC[C@]2(CCCN(Cc3nc4ccccc4[nH]3)CC2)O1 72158261 XBWAFOWEUWTEDF-MRXNPFEDSA-N 300.362 2.027 0 50 DEAA Cc1c(C(=O)N2CCO[C@H](CC(=O)O)C2)oc2c(C)cccc12 237752353 FWVXLFQMKXYSGI-GFCCVEGCSA-N 317.341 2.365 0 50 DEAA Cc1ccc2sc(C(=O)N[C@]3(CCO)CCOC3)cc2c1 292781400 GZLIOWPFEIZIOM-MRXNPFEDSA-N 305.399 2.481 0 50 DEAA Nc1cccc(-c2ccc(C(=O)NCC3CCOCC3)cc2)n1 426484428 JVFQTCLIXOXNEO-UHFFFAOYSA-N 311.385 2.487 0 50 DEAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@]3(C)C(=O)O)[nH]n2)o1 263486278 VRHWTBFNPGRHRB-HNNXBMFYSA-N 303.318 2.057 0 50 DEAA O=C(c1ccccc1-c1nc[nH]n1)N1Cc2ccccc2[C@@H](O)C1 82114346 VIIFOEUIAIAJCE-INIZCTEOSA-N 320.352 2.161 0 50 DEAA CNC[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)C1 178995805 IIIJBEZGPVQTRF-CHWSQXEVSA-N 310.825 2.484 0 50 DEAA Cc1cc([C@H]2CCCN2C(=O)NCc2n[nH]c3c2CCC3)on1 426536472 ONWMSCWCHJTUCD-CQSZACIVSA-N 315.377 2.242 0 50 DEAA C[C@@H]1CC(=O)N[C@H](C(=O)Nc2ccc(OC3CCCC3)nc2)C1 293050710 HTWLPQCWDMZVNY-FZMZJTMJSA-N 317.389 2.256 0 50 DEAA O=S(=O)(CCNc1cc(C2CC2)ncn1)c1ccc(F)cc1 95391877 LVGUHGTUYMWDBC-UHFFFAOYSA-N 321.377 2.379 0 50 DEAA CCc1nc(C)sc1CNC(=O)c1cc(C)c(C)[nH]c1=O 91746134 PHVZHRGFNJUATB-UHFFFAOYSA-N 305.403 2.249 0 50 DEAA CCCN1CCC[C@]2(CCN(C(=O)c3ccns3)C2)C1=O 92066627 FGGBZWBYHBTMIY-OAHLLOKOSA-N 307.419 2.008 0 50 DEAA CCc1ncc(C(=O)NCc2csc(CSC)n2)cn1 95358039 YLFJLJOQLXKDDO-UHFFFAOYSA-N 308.432 2.289 0 50 DEAA COc1ccccc1CNC(=O)CN(C)C1CCSCC1 244701103 KAGHGKLNQKYYEQ-UHFFFAOYSA-N 308.447 2.139 0 50 DEAA CCn1ccc(CN2CCC([C@@H](O)c3ccccn3)CC2)n1 244652051 GYWJIBFJZOSQMO-QGZVFWFLSA-N 300.406 2.244 0 50 DEAA Cc1cc(C)n(C[C@@H](C)NC(=O)CSc2ccccn2)n1 244659887 HKPMOJIVSFVPCB-GFCCVEGCSA-N 304.419 2.192 0 50 DEAA CC[C@@H](NC(=O)c1cc(-c2ccsc2)n[nH]1)[C@H]1C[C@H](O)C1 244852708 UXEXQIRHWHYAQB-IJLUTSLNSA-N 305.403 2.418 0 50 DEAA COc1ccc(C(=O)NCCC[C@@H]2CCOC2)c(OC)c1OC 244882548 XTWQYZZFDYLBJU-GFCCVEGCSA-N 323.389 2.259 0 50 DEAA COCCn1ccc2c(OCC(=O)N3CCCC3)cccc21 263588162 PZQBOTAWVBTNGI-UHFFFAOYSA-N 302.374 2.289 0 50 DEAA Cc1noc(NC(=O)[C@H]2CN(C)CCO2)c1-c1ccc(F)cc1 1940198109 NRYJSUIHGGCQNJ-CYBMUJFWSA-N 319.336 2.058 0 50 DEAA C=CC(=O)Nc1ccc(C(=O)N[C@H](C)C2CCOCC2)cc1 268624468 YUFUQZCBKKXDLC-GFCCVEGCSA-N 302.374 2.356 0 50 DEAA O[C@H](Cn1ncc2ncc(Br)cc21)C(F)(F)F 1875279328 RTGNPLJGGATQTN-MRVPVSSYSA-N 310.073 2.117 0 50 DEAA CS(=O)(=O)NCc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[C@@H]32)cc1 1875274152 NVUMSDPZWFJJRJ-AEGPPILISA-N 322.430 2.111 0 50 DEAA CSCc1cn(C[C@H](C)NC(=O)C[C@H]2C=CCCC2)nn1 1875323658 OGQPIRQOAGGXOK-STQMWFEESA-N 308.451 2.392 0 50 DEAA CC(C)c1ccc(CC(=O)N[C@@H](CO)C[C@@H]2CCOC2)cc1 1875307575 RGIFRCWZCGEOMK-DOTOQJQBSA-N 305.418 2.256 0 50 DEAA FC1(F)CCOC[C@H]1CNCc1c[nH]nc1-c1cccnc1 1875301938 XQDDKJSYQHAUMP-CYBMUJFWSA-N 308.332 2.233 0 50 DEAA Cc1c[nH]ccc1=NCCNC1CCC2(CCNCC2)CC1 952974379 LMKIQMYXFQPKII-UHFFFAOYSA-N 302.466 2.126 0 50 DEAA CSCC(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 952983414 DTGQVRPORWYHBH-UHFFFAOYSA-N 306.391 2.170 0 50 DEAA CCC(CC)n1ncc(C(=O)N[C@@H](CO)c2cccnc2)c1C 888094345 LIIYFYMQHSWUEA-INIZCTEOSA-N 316.405 2.411 0 50 DEAA Cc1nc(CN2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)co1 1565506436 NETKNOWXIHIMTP-CABCVRRESA-N 316.357 2.062 0 50 DEAA C[C@@H](NS(=O)(=O)Cc1noc2ccccc12)C1CCOCC1 185967803 LSFNKWYSMCOGSI-LLVKDONJSA-N 324.402 2.062 0 50 DEAA CCc1nnc(C)cc1C(=O)Nc1c(C)nn(CCOC)c1C 273711401 OILDEMFYXDAEAG-UHFFFAOYSA-N 317.393 2.059 0 50 DEAA COC(=O)C[C@](C)(NC(=O)c1ccc[nH]1)c1cccc(F)c1 170090069 CJZOHZXIQKSLDP-INIZCTEOSA-N 304.321 2.362 0 50 DEAA CCNc1ccc(Cl)cc1C(=O)N1CC(NC(=O)C2CC2)C1 191383661 GGCJTPYUYRTSEQ-UHFFFAOYSA-N 321.808 2.122 0 50 DEAA COCc1ccc([C@@H]2CCCN2Cc2nc(N(C)C)no2)o1 192804711 NJZWTAAZQYBSDN-LBPRGKRZSA-N 306.366 2.212 0 50 DEAA O=C(N[C@H](Cc1ccncc1)C(=O)O)c1cccc(C2CC2)c1 655597326 PSIWQRZSNZXFCB-MRXNPFEDSA-N 310.353 2.385 0 50 DEAA Cc1cc(F)cc(C)c1C(=O)N1CCN(c2cnccn2)CC1 666157245 VDKXLKCYMJHNDC-UHFFFAOYSA-N 314.364 2.195 0 50 DEAA CC[C@H]1CN(C(=O)NCc2c(C3CC3)cnn2C)CCCO1 666575496 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DEAA COc1cc2c(cc1OC)CN([C@H]1CN3CCC1CC3)CC2 22455644 SWXNFWAVVGLJJF-INIZCTEOSA-N 302.418 2.156 0 50 DEAA CCn1cnnc1CCNC(=O)c1cc2cc(C)ccc2nc1C 63870218 NMUXLXPMLLHECG-UHFFFAOYSA-N 323.400 2.436 0 50 DEAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2csc(NC)n2)C1 67755236 ROAMGXIGBRMLEA-LLVKDONJSA-N 319.434 2.490 0 50 DEAA Cc1cc([C@@H]2CCCN([C@@H](C(N)=O)c3ccc(F)cc3)C2)n[nH]1 229314147 MLUSETFUUCPLSW-CZUORRHYSA-N 316.380 2.263 0 50 DEAA O=S(=O)(Nc1ccccc1-n1ccnn1)c1cccc(F)c1 119753465 ZLMFQKWRIPTDJK-UHFFFAOYSA-N 318.333 2.207 0 50 DEAA O=c1[nH]nc(-c2cc(C3CC3)n[nH]2)n1-c1cccc(Cl)c1 65528852 TZFHGCNDSZWLHV-UHFFFAOYSA-N 301.737 2.482 0 50 DEAA COc1cc(CCC2CCN(C(=O)[C@@H](C)N)CC2)cc(OC)c1 152012936 CLNTXGUCIRWQOZ-CYBMUJFWSA-N 320.433 2.222 0 50 DEAA CN(C[C@@H]1CCc2nccn2C1)C(=O)c1ccc2n[nH]cc2c1 328618547 DVJDYCUIDBKDQK-LBPRGKRZSA-N 309.373 2.094 0 50 DEAA Cc1nc(O)ccc1C(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 282411157 FAUIULWOXJWVLQ-UKRRQHHQSA-N 316.332 2.183 0 50 DEAA O=C(COc1ccc2c(c1)CCC2)N1CC[C@@]2(CCOC2)C1 153493526 NXEAHGLTBCMWGN-GOSISDBHSA-N 301.386 2.193 0 50 DEAA CN1CCN(C(=O)c2cc3ccccc3o2)C[C@H]1c1ncc[nH]1 328631856 RLJKBWVITASHNU-ZDUSSCGKSA-N 310.357 2.285 0 50 DEAA Cc1nc([C@H]2CN(c3ccnc(C(F)(F)F)c3)CCO2)n[nH]1 329381493 NTXYRLIHANOHIF-SNVBAGLBSA-N 313.283 2.105 0 50 DEAA COc1ccnc(C(=O)N2CCO[C@](C)(c3ccccc3)C2)c1 156919328 QQEKKPKZUWHCLV-SFHVURJKSA-N 312.369 2.478 0 50 DEAA CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@@](C)(CO)C2)C12CCC2 128484017 UVCSCLWOPAIWRI-SQWLQELKSA-N 310.438 2.138 0 50 DEAA COc1cc(OC)c(CN2C[C@@H]3CN(C)C[C@@H]3C2)cc1Cl 215822669 TUSAOVTULCNAOY-BETUJISGSA-N 310.825 2.351 0 50 DEAA NC(=O)c1ccc(N2CC[C@@H](c3c(F)cccc3F)C2)nc1 375114475 MJEFETVYRZUALT-LLVKDONJSA-N 303.312 2.453 0 50 DEAA COc1cccc(N2CC[C@@H](CNCc3c(C)cnn3C)C2)c1 375683871 AYTIWZXOZVXOQW-HNNXBMFYSA-N 314.433 2.353 0 50 DEAA O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@](F)(CO)C1 376416009 WQSYDPOCQMNALA-QGZVFWFLSA-N 302.349 2.414 0 50 DEAA c1ccc(Cc2noc(-c3ccc(N[C@H]4CCNC4)nc3)n2)cc1 72168785 YYNJSUGXJRWHIZ-HNNXBMFYSA-N 321.384 2.496 0 50 DEAA CC1=NO[C@H](C(=O)NC2CCN(c3ccccc3F)CC2)C1 220696172 VOJNARJQEJSUGV-HNNXBMFYSA-N 305.353 2.076 0 50 DEAA CCNC(=O)OC[C@H]1CCCCN1Cc1cnn2ccccc12 289103607 CHNBZLPJMZSYMQ-OAHLLOKOSA-N 316.405 2.435 0 50 DEAA Cc1c(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccncc2)ccn1C 426633999 RACKNPRYQNILBK-KRWDZBQOSA-N 321.384 2.240 0 50 DEAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1cccnc1O 426740316 BSRGZLNLEJFAFY-UHFFFAOYSA-N 303.366 2.472 0 50 DEAA CNC[C@H]1CCCN1C(=O)CCOc1ccc(F)cc1Cl 237220923 AITCOWKNECDQGF-GFCCVEGCSA-N 314.788 2.458 0 50 DEAA CC(C)n1nccc1C(=O)N(Cc1cocn1)Cc1cocn1 426739774 NFGIVAYIPAORSM-UHFFFAOYSA-N 315.333 2.283 0 50 DEAA O=C(O)[C@@H]1CN(C(=O)NC2CCCC2)C[C@H]1c1ccccc1 91724500 AMSUATKZROLHAN-LSDHHAIUSA-N 302.374 2.439 0 50 DEAA Cc1cc(C(=O)NCc2ccoc2)cc(C)c1OCC(=O)O 180126511 RPQXGHWDJIYBRI-UHFFFAOYSA-N 303.314 2.290 0 50 DEAA Cc1nc(C)c2c(n1)O[C@H](CN1C(=O)CCc3ccccc31)C2 95524715 AWYZHEADPFPFGL-AWEZNQCLSA-N 309.369 2.376 0 50 DEAA CC[C@H](C)CN(C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 182532438 QRMSRSHSLPPHBF-DZGCQCFKSA-N 318.421 2.265 0 50 DEAA Cc1ncc(CNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)s1 299207809 AUXYCUDTRLMCGN-LBPRGKRZSA-N 323.462 2.352 0 50 DEAA COCCC(C)(C)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 183963206 OHGMLAIKSCIQNB-OAHLLOKOSA-N 307.390 2.355 0 50 DEAA N[C@@H]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccccc2Cl)C1 299739387 NUYXXDYCQKYDIR-YUELXQCFSA-N 308.809 2.367 0 50 DEAA COc1cc(CNC(=O)N(C)[C@H]2CCOC(C)(C)C2)ccc1O 534590952 FHFBRFWBPAHQCA-ZDUSSCGKSA-N 322.405 2.500 0 50 DEAA Cc1csc(CCCNC(=O)CN(C)Cc2ccccn2)n1 299760630 VXYLUGWYVXJLGG-UHFFFAOYSA-N 318.446 2.027 0 50 DEAA CC[C@H](C)Cc1nc(-c2ccc(CCN)cc2)n(CCO)n1 828778328 GSTYICZYKKTQJF-ZDUSSCGKSA-N 302.422 2.027 0 50 DEAA CCCOc1cccc(CCNC(=O)N[C@@H]2CC[C@@H](N)C2)c1 822983572 BYQXNKYUNOZRTB-HUUCEWRRSA-N 305.422 2.197 0 50 DEAA CCCN1CC[C@H](Cn2cnc3c(OC)cccc3c2=O)C1 584894426 WQBUHCIBGSKBKF-ZDUSSCGKSA-N 301.390 2.137 0 50 DEAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCc2nocc2C1 670445123 HRENWFRJCKHCDS-UHFFFAOYSA-N 303.362 2.222 0 50 DEAA CN1C(=O)[C@H](O)[C@H](c2nc(C(C)(C)C)no2)[C@H]1c1ccccc1 685943395 LSYXYYGWXOFFKW-JHJVBQTASA-N 315.373 2.025 0 50 DEAA Cc1cccnc1[C@H](C)NC(=O)[C@H](N)Cc1n[nH]c2ccccc12 1875294784 XHJVYYPKXFRKDQ-GXTWGEPZSA-N 323.400 2.014 0 50 DEAA COc1ncccc1-c1nnn(Cc2cc(C(C)(C)C)no2)n1 1875298982 UQBVSISPCODSMC-UHFFFAOYSA-N 314.349 2.078 0 50 DEAA CCNc1cc(CNC(=O)NC[C@H](O)C(CC)CC)ccn1 952992505 GWMDRKUJLNVMJN-AWEZNQCLSA-N 308.426 2.110 0 50 DEAA Cc1noc(C)c1C(=O)Nc1ccc2nc([C@@H](C)O)[nH]c2c1 952989639 TXCGGBGFLNHLBU-MRVPVSSYSA-N 300.318 2.473 0 50 DEAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)CCn1cnnc1 952977387 AXNYSGYIQTWRFF-UHFFFAOYSA-N 312.295 2.346 0 50 DEAA CCCCS(=O)(=O)N1CCCN(c2ccncc2C)CC1 952986506 YRBGWTSYPPQUQG-UHFFFAOYSA-N 311.451 2.032 0 50 DEAA CCn1cc(CC(=O)N2Cc3ccccc3N3CCC[C@H]3C2)cn1 882818876 DIOBVHJCVWQZNG-KRWDZBQOSA-N 324.428 2.457 0 50 DEAA C[C@H](c1ccncc1)N(C)C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 1506401932 KUZKSIMOSLUWRW-CYBMUJFWSA-N 322.368 2.394 0 50 DEAA CN(c1nnc([C@@H]2CCCO2)n1C[C@H]1CCSC1)C1CC1 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2.095 0 50 DEAA O=C1C[C@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)Oc2ccccc21 412677535 PXVFRPWGWWGVLE-KRWDZBQOSA-N 314.316 2.404 0 50 DEAA Cc1nc(C(=O)NCCc2cccc(C(=O)O)c2)c(C)s1 191175384 LFJHKCVSLGJUHQ-UHFFFAOYSA-N 304.371 2.431 0 50 DEAA COc1ccc([C@@H](CCO)N[C@@H]2CCCn3ccnc32)cc1 655722614 AFRGQNKSGJKTRV-HZPDHXFCSA-N 301.390 2.440 0 50 DEAA C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC1COC1 584908682 DJQBWUMXUGHOLF-HNNXBMFYSA-N 302.418 2.146 0 50 DEAA CCc1nc(=NCCNc2ncnc3sccc23)s[nH]1 585092028 BJAZMBMEBUQPOI-UHFFFAOYSA-N 306.420 2.051 0 50 DEAA O=C(Nc1cnn2c1NCCC2)c1cnn(Cc2ccccc2)c1 1506422496 BTPAFFDASFPIIE-UHFFFAOYSA-N 322.372 2.196 0 50 DEAA CCN(CCN1CCOCC1)c1nnc(C)c2ccccc12 1529107368 ZJNHSSGTRYSQOZ-UHFFFAOYSA-N 300.406 2.097 0 50 DEAA O=S(=O)(c1ccc(Br)cc1)N1CCSCC1 4369369 MWNGGAAVBXUDBS-UHFFFAOYSA-N 322.249 2.187 0 50 DEAA in-vitro CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cccc(CN)c3)C[C@@H]21 1704359631 WRLCQGGBMDYEBI-SOLBZPMBSA-N 302.418 2.159 0 50 DEAA O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CC2CCN1CC2 1775982505 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O=C(O)[C@@H]1c2ccccc2OCCN1C(=O)CCc1ccoc1 911057454 AFNFLRVSGGKRND-INIZCTEOSA-N 315.325 2.259 0 50 DEAA CO[C@@H](CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)O 227267237 OLVXPGJHMJWAHA-KCJUWKMLSA-N 317.794 2.036 0 50 DEAA Cc1nc(S)sc1CC(=O)N(C)CC1(O)CCCC1 153979399 SRYAAEJVMHYDKV-UHFFFAOYSA-N 300.449 2.046 0 50 DEAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)COCc2ccccc2)C1 404453669 PFQKUFLVZHPTSF-STQMWFEESA-N 316.323 2.084 0 50 DEAA CCOc1ccc2c(c1)CN(C(=O)[C@H]1C[C@](F)(CO)C1)CC2 2325805581 SYMUHDNZBFLORN-KDYLLFBJSA-N 307.365 2.081 0 50 DEAA c1cc(-c2cn(CCO[C@@H]3CCOC3)nn2)c2ccncc2c1 899732930 NNSLIBDTMHXSTB-CQSZACIVSA-N 310.357 2.299 0 50 DEAA COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1CCO[C@@H]1O2 402720 WWSYXEZEXMQWHT-WNWIJWBNSA-N 314.293 2.153 0 50 DEAA endogenous,in-man CN1CCC[C@]2(CCCN2C(=O)c2cc(F)cc(F)c2)C1=O 2356152077 PXIKZSXMUVGWIE-INIZCTEOSA-N 308.328 2.192 0 50 DEAA CN1CCC[C@]2(CCCN2C(=O)Cc2ccc(F)c(F)c2)C1=O 2356169423 BJBHEJXQRLBJPH-KRWDZBQOSA-N 322.355 2.121 0 50 DEAA 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CN(C(=O)CCNC(=O)c1ccc(F)cc1)C1CCSCC1 244690938 IZSUSJYVSZGTCT-UHFFFAOYSA-N 324.421 2.300 0 50 DEAA CCCn1cnnc1CN(C)CC(=O)NC1CCCCCCC1 244828652 UACVRJIDCIONRM-UHFFFAOYSA-N 321.469 2.349 0 50 DEAA CCCn1ccnc1CNC(=O)CN(C)Cc1ccc(C)cc1 244866503 VXIGDXMDXTXRSB-UHFFFAOYSA-N 314.433 2.350 0 50 DEAA O=C(O)C[C@H](NC(=O)c1cccc2c1OCO2)c1cccs1 299743889 PWBWLOCADIDWOP-JTQLQIEISA-N 319.338 2.423 0 50 DEAA CCOC(=O)N1CC[C@@H](NCc2nn(CC)c3ccccc23)C1 274593931 ODPMTLNJXKLAPK-CYBMUJFWSA-N 316.405 2.377 0 50 DEAA CN1Cc2ccccc2C[C@H]1CNS(=O)(=O)CC1CCCC1 823806415 TZXNFZMCXBMGCT-KRWDZBQOSA-N 322.474 2.153 0 50 DEAA CCS(=O)(=O)N[C@@H](c1ccncc1)c1ccc(OC)cc1 824654514 JRYBVSZOJAAEFB-OAHLLOKOSA-N 306.387 2.119 0 50 DEAA Cc1nc(N)sc1C(=O)N1CC[C@@H](Oc2ccccc2)C1 584884802 ZXFWCRVSAFTUBX-GFCCVEGCSA-N 303.387 2.327 0 50 DEAA Cc1nn(CC(F)(F)F)cc1C(=O)Nc1c(C)n[nH]c1C 268645902 ULSLVWQGWJSNLK-UHFFFAOYSA-N 301.272 2.346 0 50 DEAA Cc1cc(Cn2cc(CN3CCC[C@@H]3CO)nn2)ccc1Cl 1875282328 XSSDFZZJNZRKMV-OAHLLOKOSA-N 320.824 2.245 0 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CC[C@H](c1cccnc1)N(C)CC(=O)Nc1cn(C)nc1C 1506421216 NLHJMZLCCLASQF-OAHLLOKOSA-N 301.394 2.145 0 50 DEAA Cn1ccnc1CN1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1529159502 RLXJZMOOEINALV-CRAIPNDOSA-N 322.412 2.004 0 50 DEAA Cc1nc(C)c(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)s1 1704301223 PRIHDMNONDMZPI-HUUCEWRRSA-N 303.431 2.190 0 50 DEAA Cc1cc(C(=O)NC2([C@H]3CCNC3)CC2)nn1-c1ccccc1 1616036243 RBGNSYIYLZIFKV-AWEZNQCLSA-N 310.401 2.053 0 50 DEAA COc1cnc(C)cc1C(=O)N1CCN[C@@H](c2ccccc2)C1 1857679449 VKHZMTRYBRCSBT-MRXNPFEDSA-N 311.385 2.185 0 50 DEAA COc1cccnc1C(=O)Nc1nc(C)n(-c2ccccc2)n1 1129227613 VOJXLGBIOQRNGI-UHFFFAOYSA-N 309.329 2.232 0 50 DEAA NC(=O)[C@H]1CCCN1C1CCN(c2ccc3ccccc3n2)CC1 301964295 NRDGZAWCCORFSA-QGZVFWFLSA-N 324.428 2.153 0 50 DEAA Cc1nnc([C@H]2COCCN2C(=O)Cc2c(C)cccc2C)o1 328611822 MTDOMUWJNDSNDX-OAHLLOKOSA-N 315.373 2.137 0 50 DEAA CNC[C@H]1CCCN(C(=O)c2ccc(-n3cc(C)cn3)cc2)C1 237077015 HXTAFLYZUFUANC-OAHLLOKOSA-N 312.417 2.252 0 50 DEAA CNC[C@H]1CCCN(C(=O)Cc2cc(Cl)ccc2OC)C1 237296453 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C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)C1 1124540 PRMMUEPAVYEDPA-CHWSQXEVSA-N 324.446 2.198 0 50 DEAA Cc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(N)=O 4855946 NYIOXJCINKJEJL-UHFFFAOYSA-N 322.430 2.263 0 50 DEAA COc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2F)c1 4858290 FYKPHDNUEAKWAL-UHFFFAOYSA-N 320.295 2.228 0 50 DEAA COc1ccc(OC)c(S(=O)(=O)Nc2cccc(O)c2)c1 6230213 GNKCUSJPICBIKI-UHFFFAOYSA-N 309.343 2.210 0 50 DEAA COc1cccc(N2C[C@H](C(=O)Nc3cccnc3)CC2=O)c1 7452154 FEUCQGZDJBSAIA-GFCCVEGCSA-N 311.341 2.082 0 50 DEAA COc1ccc2c(C)nc(Nc3nc(=O)c(C)c(C)[nH]3)nc2c1 8838164 QQJIYKXTEMDJFM-UHFFFAOYSA-N 311.345 2.391 0 50 DEAA in-vitro C[C@@H](O)CN1CCC(CN(C)[C@H](C)c2nc(C3CC3)no2)CC1 247083247 HCXKBCOVUNQYBX-CHWSQXEVSA-N 322.453 2.033 0 50 DEAA Cc1ccc2oc(N3CCN(CCCC(=O)O)CC3)nc2c1 116395722 HLKHNASJHPVOQD-UHFFFAOYSA-N 303.362 2.123 0 50 DEAA Cc1cc([C@@H]2CCCN2C(=O)N[C@H]2CCN3CCCC[C@@H]23)on1 229193280 WYOFOCMXEVQCFM-KKUMJFAQSA-N 318.421 2.456 0 50 DEAA O=C(Nc1nnc(-c2cccs2)s1)N[C@@H]1CCCNC1 55309668 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317.433 2.234 0 50 DEAA OCC[C@@H](NCCc1cnn[nH]1)c1cccc(C(F)(F)F)c1 660672040 OTIYCMKMDVMAHH-CYBMUJFWSA-N 314.311 2.079 0 50 DEAA Cc1ncccc1CN1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 583617415 JDCJPEGYDWOQRA-KRWDZBQOSA-N 315.421 2.046 0 50 DEAA CCc1nc(NC(=O)c2cc(F)c(F)c(F)c2F)nn1C 585090271 SHPUAOXMOPEYLJ-UHFFFAOYSA-N 302.231 2.186 0 50 DEAA O=C(CCCOc1ccccc1)Nc1cnn2c1NCCC2 1506400033 SLVRJUFUPXIZPG-UHFFFAOYSA-N 300.362 2.496 0 50 DEAA Cc1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)c(C)o1 1615734088 CKEPCRZSLLGJDT-ZBFHGGJFSA-N 300.358 2.279 0 50 DEAA Cc1cnc(N[C@H](CC(C)C)c2ncnn2C)nc1N(C)C 1704279993 DSJWQQKXAZPMHR-GFCCVEGCSA-N 303.414 2.179 0 50 DEAA O=C(O)[C@H]1C[C@H](NC(=O)N2CC(C3CC3)C2)c2ccccc21 1615613915 CDXQLVFIIQDPNE-GJZGRUSLSA-N 300.358 2.351 0 50 DEAA CCOC(=O)c1sc2ncnc(N3CCOCC3)c2c1C 11847538 MSRMSRVOGLWHRC-UHFFFAOYSA-N 307.375 2.013 0 50 DEAA COCCc1nc2ccc(C(=O)NCC(F)(F)F)cc2o1 12226312 YUHZQPBGZQGMAJ-UHFFFAOYSA-N 302.252 2.309 0 50 DEAA Cc1c(C(=O)NCCN2CCC[C@H](O)C2)oc2c(F)cccc12 14955577 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Cn1cc(C[C@@H]2CCN(C(=O)Cc3cc(F)ccc3F)C2)cn1 363113670 HXQVSFWEALQKKK-LBPRGKRZSA-N 319.355 2.332 0 50 DEAA NC(=O)NCc1ccc(C(=O)N2CC(Cc3ccccc3)C2)cc1 378500115 VUOFRPSIJANKLJ-UHFFFAOYSA-N 323.396 2.170 0 50 DEAA CN(C)C/C=C/C(=O)NCCCOc1cccc2cccnc12 265697558 PLGAGQZXFUENAL-BJMVGYQFSA-N 313.401 2.238 0 50 DEAA COc1cc(O)ncc1C(=O)N1CCCN(C)c2ccccc21 933220255 YFACVBZJPXLNIK-UHFFFAOYSA-N 313.357 2.283 0 50 DEAA CC[C@H]1CCc2nc(O)c(C(=O)N3CCn4nccc43)cc2C1 935882188 HJSYGBDRZYPMNY-NSHDSACASA-N 312.373 2.159 0 50 DEAA C[C@H]1C[C@H](CO)CN(c2ncc(Br)cc2C#N)C1 398659135 DDYMSYWFNYNVMT-UWVGGRQHSA-N 310.195 2.170 0 50 DEAA CSc1nc(=NC(=O)c2cc(O)nc3ccccc23)[nH]s1 2100544724 GUYNDZNLENZEFK-UHFFFAOYSA-N 318.383 2.188 0 50 DEAA COc1cccc([C@H](O)CN2CCC(Cc3cnc[nH]3)CC2)c1 2325771816 RVNYJDTVRDOTLG-GOSISDBHSA-N 315.417 2.406 0 50 DEAA CCN(Cc1ccncc1)C(=O)[C@@H]1CC(=O)c2ccccc2O1 2325779622 SHHXDBXKMHSMBR-KRWDZBQOSA-N 310.353 2.464 0 50 DEAA Cc1cn(C)nc1CN1c2cccc(Cl)c2CS1(=O)=O 902757200 PEPSAJWSHRWKIB-UHFFFAOYSA-N 311.794 2.232 0 50 DEAA Cn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 89174 DCSVLQNOSLDYFF-UHFFFAOYSA-N 301.371 2.395 0 50 DEAA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccco1 312093 YVSURQPKBQXOMB-UHFFFAOYSA-N 320.326 2.113 0 50 DEAA COc1c(C)cc(S(=O)(=O)NCc2ccccn2)c(C)c1C 610000 RFAJYOLQCWFKFN-UHFFFAOYSA-N 320.414 2.494 0 50 DEAA Cc1n[nH]c(O)c1[C@H](c1cccc(O)c1)c1c(O)n[nH]c1C 4008588 BTXIUJDMZBVTTH-UHFFFAOYSA-N 300.318 2.047 0 50 DEAA COc1ccc(C)cc1NC(=O)N1CCC2(CC1)OCCO2 6726711 YVOLHCQRKGBKTD-UHFFFAOYSA-N 306.362 2.374 0 50 DEAA COc1ccc(N[C@@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1 100475416 BCTVPRQROHASNP-QGZVFWFLSA-N 324.380 2.477 0 50 DEAA aggregator COc1nc(C(=O)N(C)CC2CC(O)C2)cc2ccccc12 135376097 DDBDDAJBJXPUML-UHFFFAOYSA-N 300.358 2.086 0 50 DEAA COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1 101197855 KLUOKEFZKFKDQD-UOVKNHIHSA-N 311.337 2.175 0 50 DEAA CC[C@H]1CN(C(=O)c2c(C)[nH]c(C(C)=O)c2C)CC[C@@]1(C)O 67817439 JOORWRSQQZGIJX-SUMWQHHRSA-N 306.406 2.457 0 50 DEAA C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)c1nc2ccccc2n1C 120226683 BGZMMYRBKFKCHT-STQMWFEESA-N 317.389 2.120 0 50 DEAA Cc1nnc(CCNC(=O)[C@]2(C)CCCc3ccccc32)n1C 331491312 JGCXFUHYFMVATC-GOSISDBHSA-N 312.417 2.076 0 50 DEAA COc1c(C(=O)Nc2ccc3nc(S)oc3c2)c(C)nn1C 121109603 LFWRPVKQCDOLCG-UHFFFAOYSA-N 318.358 2.419 0 50 DEAA Cc1ccc2c(c1)c(CNC(=O)[C@@H]1CC(C(C)C)=NO1)nn2C 67676253 DXQKSZYQCDSHAK-INIZCTEOSA-N 314.389 2.299 0 50 DEAA COC(C)(C)C[C@@H](C)NCCn1ncc2ccccc2c1=O 65453200 HIAGYVZHIYYRSU-CYBMUJFWSA-N 303.406 2.190 0 50 DEAA CCOc1ccccc1-n1c(CCC(F)(F)F)n[nH]c1=O 67804280 OSTFQTXGJVKNNE-UHFFFAOYSA-N 301.268 2.454 0 50 DEAA Cn1cnnc1[C@@H]1CN(CCc2ccccc2Cl)CCO1 328651034 VUDCJZMZVWZMCO-AWEZNQCLSA-N 306.797 2.085 0 50 DEAA CN(C)c1ncccc1O[C@H]1CCN(C(=O)C2=CCCC2)C1 328622650 IOZQKOYIQAFIRH-AWEZNQCLSA-N 301.390 2.238 0 50 DEAA COc1ccc(OC[C@@H](O)COc2ccc(C(=O)O)cc2)cc1 207871 TXOSOHKVAGCXDV-ZDUSSCGKSA-N 318.325 2.212 0 50 DEAA biogenic Cc1ccc2c(c1C)N(S(=O)(=O)c1ccn(C)n1)CCC2 331996227 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Cc1cccc(CN2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)n1 426380137 QZXRGJPUFRDENZ-CQSZACIVSA-N 314.389 2.051 0 50 DEAA COc1ccc(Cn2cc(-c3cncc(N(C)C)n3)cn2)cc1 426490997 BOIBKDUYRMZNPY-UHFFFAOYSA-N 309.373 2.463 0 50 DEAA Nc1nc(CNC(=O)N(Cc2ccsc2)C2CC2)cs1 426359062 NEOACDLVWBGRCQ-UHFFFAOYSA-N 308.432 2.661 0 50 DEAA CCN(C(=O)c1ccc(C)cc1OCCCN)C1CCOCC1 426635525 SJTAKXOCYZXKPP-UHFFFAOYSA-N 320.433 2.364 0 50 DEAA CCCn1ncc(C(=O)N[C@@H](C(=O)O)c2cccc(F)c2)c1C 95530771 IVSIRGTYITXTMC-CQSZACIVSA-N 319.336 2.296 0 50 DEAA CC(=O)Nc1nc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cs1 236631161 DVXHSKYISCBLNY-DRZSPHRISA-N 323.418 2.319 0 50 DEAA COc1ccccc1[C@@H]1CN(C(=O)C2CCC2)C[C@H]1C(=O)O 91745868 RKXDNRLFIXVYMK-UONOGXRCSA-N 303.358 2.122 0 50 DEAA COCC[C@]1(O)CCN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C 91950831 PBUHXFLYKNALIS-FZKQIMNGSA-N 316.401 2.418 0 50 DEAA CC[C@H](C(=O)N1CC(Oc2ccccc2C)C1)N1CCCC1 91872807 VAVPWZLZRALXKJ-MRXNPFEDSA-N 302.418 2.459 0 50 DEAA Cc1ccc(N2CCC(c3nnc4n3CCCCC4)CC2)nn1 96142182 IYVLIRJGWXGEOM-UHFFFAOYSA-N 312.421 2.487 0 50 DEAA CC(C)(C)c1csc([C@@H]2CN([C@H]3CCOC3=O)CCO2)n1 242038563 VMERFWSSBJGSAY-QWRGUYRKSA-N 310.419 2.129 0 50 DEAA COc1cccc([C@@H]2CCN(CCN3CCCC3=O)C2)c1OC 244873570 WSGKNPWADCUYTR-CQSZACIVSA-N 318.417 2.116 0 50 DEAA O=C(CCN1CCN2CCC[C@H]2C1)Nc1ccc2c(c1)CCC2 244811560 SGWLMXGPFIYDED-SFHVURJKSA-N 313.445 2.284 0 50 DEAA CCc1cnccc1C(=O)NS(=O)(=O)c1cccc(C)c1 183444874 VUYVZLSNCSZUGY-UHFFFAOYSA-N 304.371 2.071 0 50 DEAA Cc1ccc(C)n1CCCC(=O)NCc1nnc2ccccn12 253395967 ARXATHTTYJRLTB-UHFFFAOYSA-N 311.389 2.244 0 50 DEAA C[C@H](CNC(=O)N1CCC(O)CC1)COCc1ccccc1 299103502 LOCLXGHCKYEVNG-CQSZACIVSA-N 306.406 2.006 0 50 DEAA Cc1nc2c(NC(=O)c3ccc(-n4ccnc4)cc3)cccn2n1 1940194639 AWKCTYKDNZUSHS-UHFFFAOYSA-N 318.340 2.476 0 50 DEAA Cc1nc(C(C)C)ncc1C(=O)NCCc1c(C)n[nH]c1C 299791842 DKJKOKGVZOLTOE-UHFFFAOYSA-N 301.394 2.221 0 50 DEAA CCN1C[C@H](CN(C)CC(=O)NC2CCCCCCC2)CC1=O 823102327 AZKCMYUHBLWVIY-HNNXBMFYSA-N 323.481 2.016 0 50 DEAA Cc1cccc(OC[C@H]2CCCN(CCn3cnnc3)C2)c1 670433741 AGRSNFDVYCNCHY-INIZCTEOSA-N 300.406 2.378 0 50 DEAA Cc1ccc2c(c1)CCCN2C(=O)CN(C)C[C@H]1CCOC1 670448409 NNQNRFGZKZLWBT-OAHLLOKOSA-N 302.418 2.243 0 50 DEAA O=C(O)C[C@H](NC(=O)c1cc(O)ccc1Cl)C(F)(F)F 698798717 OICCLZBCSXFYPK-QMMMGPOBSA-N 311.643 2.181 0 50 DEAA Cc1nc(-c2ccccn2)cc(=NC[C@]2(CO)C[C@H]3C=C[C@H]2C3)[nH]1 1875294940 PTHILIRJOJYFOC-DOXZYTNZSA-N 322.412 2.256 0 50 DEAA C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1nc(CC(=O)O)cs1 1875271239 QCGPIAOTRHHLDA-DNRKLUKYSA-N 308.403 2.069 0 50 DEAA Cn1c(CCO)nnc1SCc1ccn(C2CCCCC2)n1 1875304260 FNXJODBAFHNQND-UHFFFAOYSA-N 321.450 2.344 0 50 DEAA FCCn1nc(-c2nc[nH]n2)nc1CCCc1ccsc1 1875347854 UKIRREFUBFPPIC-UHFFFAOYSA-N 306.370 2.270 0 50 DEAA Cc1ccccc1OC[C@H](O)C(=O)N(C)Cc1ccsc1 952964586 MPBJAASZDHIMRX-AWEZNQCLSA-N 305.399 2.455 0 50 DEAA CCc1nc(N2CCC(CNC(=O)c3ccccc3)CC2)no1 952977859 OROBRFOLMQJLOK-UHFFFAOYSA-N 314.389 2.278 0 50 DEAA CN1CCC[C@@H](Nc2nccn3nc(C(C)(C)C)cc23)C1=O 892799547 FJSOPPVUONZXRM-LLVKDONJSA-N 301.394 2.060 0 50 DEAA CCOCc1nc(C)cc(N2CC[C@H](c3nccn3C)C2)n1 892985077 IAHNVQHWPNGMKY-ZDUSSCGKSA-N 301.394 2.049 0 50 DEAA CCc1nnc(CN2CCc3cc(C(=O)O)sc3C2)s1 1776992332 OKCQYUYZQKXKEX-UHFFFAOYSA-N 309.416 2.419 0 50 DEAA C[C@H]1CCS(=O)(=O)CCN1C(=O)Nc1ccccc1Cl 170616508 PGNSDGCVANIYOC-JTQLQIEISA-N 316.810 2.381 0 50 DEAA O=C1Nc2cnc(Cl)nc2N(C2CCCC2)CC1(F)F 95803144 QUCPBKFOMWSJFG-UHFFFAOYSA-N 302.712 2.466 0 50 DEAA in-vitro CC(C)C[C@H]1C(=O)NCCN1Cc1ccc(N2CCCC2)nc1 188918021 XGQUFABETSMMER-INIZCTEOSA-N 316.449 2.028 0 50 DEAA CCc1nc(C)cc(N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)n1 408033606 OGCQSBQKXCCYCY-CKEIUWERSA-N 305.422 2.104 0 50 DEAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccn(CCc2ccncc2)n1 190863981 CHZXFANGHDJWDH-ZFWWWQNUSA-N 314.389 2.274 0 50 DEAA Cc1cc2n(n1)CCN([C@@H](C(=O)O)c1ccc(C)c(F)c1)C2 1529179830 FFFZGVBASQJFIZ-OAHLLOKOSA-N 303.337 2.281 0 50 DEAA Cn1ccnc1CN1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529147428 ZEDYAKLVDRSJGB-QAPCUYQASA-N 322.412 2.004 0 50 DEAA CC(C)(C)c1ccc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1084353 BGHCKGJSPYFXPS-RZIFZGNASA-N 321.442 2.301 0 50 DEAA Cc1ncc(CN(CCO)C(=O)CCc2ccccc2Cl)[nH]1 1704314489 SLZPXJLQSOWSOM-UHFFFAOYSA-N 321.808 2.325 0 50 DEAA Cc1ncc(CN(CCO)C(=O)c2ccc(F)cc2Cl)[nH]1 1704312358 QCQXVAOAXFXXCR-UHFFFAOYSA-N 311.744 2.145 0 50 DEAA O=S(=O)(NCc1cncc(F)c1)[C@@H]1C[C@@H]1c1ccccc1 1616038490 OBUUNFFHXPCULU-HUUCEWRRSA-N 306.362 2.196 0 50 DEAA C[C@@H](NC(=O)OCC1CCCCC1)[C@@H](CCC(=O)O)C(=O)O 1615001918 KXUYNIYOVMCNHV-ZYHUDNBSSA-N 315.366 2.247 0 50 DEAA COc1nc(NC[C@H]2Cc3ccccc3CN2C)ncc1F 1772700716 GSCVNJVXUNTYKK-CYBMUJFWSA-N 302.353 2.093 0 50 DEAA C[C@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc2c(c1)OC(F)(F)O2 1772816194 HZIRCYYUPCRVRN-CMPLNLGQSA-N 324.327 2.203 0 50 DEAA CC1=C(C)C[C@H](C(=O)Nc2ccc(C(N)=O)cc2)[C@@H](C(=O)O)C1 5006396 GCDJCSFKJZMGGT-KBPBESRZSA-N 316.357 2.171 0 50 DEAA CN(C[C@]1(O)CCCN(CC2CCC2)C1=O)C1CCCCC1 11878544 ZYKCRZBDZKMWOF-GOSISDBHSA-N 308.466 2.405 0 50 DEAA O=C(Cc1ccncc1)N1CCO[C@H](CCc2ccccc2)C1 12448705 GTIIEPDTPNWJCY-GOSISDBHSA-N 310.397 2.484 0 50 DEAA O=C(CCN1CCOCC1)Nc1cccc(Br)c1 19811404 MXIVEHFJKNUDOK-UHFFFAOYSA-N 313.195 2.110 0 50 DEAA CN(CC1CCN(Cc2ccccc2)CC1)c1n[nH]c(=N)s1 1857667956 QECQLFGCJHQLMF-UHFFFAOYSA-N 317.462 2.299 0 50 DEAA CCn1ccc2c(CN3C[C@@H]4CCOC[C@]4(CO)C3)cccc21 1857669372 BSSPEJLJWYFYCL-QFBILLFUSA-N 314.429 2.492 0 50 DEAA c1ccc([C@H]2COC[C@H]3CN(Cc4cnsc4)CCN23)cc1 1875250479 CUQRNILTNGZYPJ-IAGOWNOFSA-N 315.442 2.401 0 50 DEAA CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(N)s2)cc1 3342153 BGIWBFNQFHUJQS-MRVPVSSYSA-N 322.415 2.442 0 50 DEAA COc1ccccc1C(=O)N1CC[C@H](C(=O)O)[C@H]2CCC[C@@H]21 630272945 MJNGKPCZCYKPEE-DYEKYZERSA-N 303.358 2.411 0 50 DEAA O=C(O)[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)on1 238049570 AWBNLIJJWQHVJT-CYBMUJFWSA-N 300.314 2.421 0 50 DEAA Cn1cnc2cc(C(=O)N3CCC(c4ccn[nH]4)CC3)ccc21 129872666 PLAAHVPDYQGQLY-UHFFFAOYSA-N 309.373 2.316 0 50 DEAA N[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 158459963 MVROTKUKQINTOS-OAHLLOKOSA-N 322.836 2.338 0 50 DEAA c1oc(C2CC2)nc1Cn1cc(CO[C@@H]2CCCCO2)nn1 905801412 CWPWRMODFXMYAW-CQSZACIVSA-N 304.350 2.235 0 50 DEAA Cc1c(F)cccc1C(=O)N[C@H]1CCOC2(CC(C(=O)O)C2)C1 910619889 UVKQOHWAOGZDHR-JKGQDXBKSA-N 321.348 2.276 0 50 DEAA C[C@@H]1NCC[C@H]1c1nc(-c2ccc(N3CCOC3=O)cc2)no1 822750297 KAVLPBKNKJTIBD-GXFFZTMASA-N 314.345 2.159 0 50 DEAA C[C@@]1(CNC(=O)Nc2cnn(-c3ccccc3)n2)CCCCO1 930638251 YBHIKCPIJPSHQZ-INIZCTEOSA-N 315.377 2.348 0 50 DEAA O=C1Nc2ccc(Br)cc2C(=O)N2CCCC[C@@H]12 4722752 MEYDWZHRAVSSHP-NSHDSACASA-N 309.163 2.396 0 50 DEAA COCc1nc(-c2cc(OC(F)(F)F)ccc2O)nn1C 2100545147 QMWAEDDOILVQPM-UHFFFAOYSA-N 303.240 2.233 0 50 DEAA Cc1cnn(C2CCN(C(=O)c3cc(O)nc(Cl)c3)CC2)c1 2325734961 BZHDYUJOTDGJDY-UHFFFAOYSA-N 320.780 2.423 0 50 DEAA O=C(CCc1nn[nH]n1)N1[C@H]2C=C(c3cccs3)C[C@H]1CC2 2325782655 RCLJJMFYIIUYJD-VXGBXAGGSA-N 315.402 2.041 0 50 DEAA C[C@H](NC(=O)c1cc(CN)cs1)[C@@H](O)c1cccc(F)c1 2325792306 UHDJQNWVGUKDTF-LKFCYVNXSA-N 308.378 2.198 0 50 DEAA CC1(C)CCCN(C(=O)N[C@@](C)(C(=O)O)c2cccnc2)C1 2325798754 XGLVHENXUDDDTO-MRXNPFEDSA-N 305.378 2.213 0 50 DEAA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1c1nccn2cccc12 2325802359 BVWZMOWCLQZWQO-TZMCWYRMSA-N 324.388 2.146 0 50 DEAA Cc1ccc(S[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 382643 RCQTUQGMKMRSAI-LBPRGKRZSA-N 306.431 2.200 0 50 DEAA CCOC(=O)CCN(Cc1ccccc1)C[C@H](C)C(=O)OC 2036622 LRJQXEYJXMMPOA-AWEZNQCLSA-N 307.390 2.251 0 50 DEAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cc[nH]c2C)C1=O 2356139556 SAMSURHCULBLTI-QGZVFWFLSA-N 303.406 2.330 0 50 DEAA COC[C@@H]1C[C@@H](OC)CN1c1cnc2cc(F)c(F)cc2n1 343695559 XRNLEXMWBJDMIY-VHSXEESVSA-N 309.316 2.148 0 50 DEAA O=C(CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NC1CCCCC1 101427605 RFOYTOXAZFRPLE-GASCZTMLSA-N 318.417 2.167 0 50 DEAA CCc1ccccc1NC(=O)[C@H]1CC(=O)N([C@@H](C)COC)C1 8234945 NGHAHOWPZOFGRK-JSGCOSHPSA-N 304.390 2.071 0 50 DEAA CC(C)C[C@@H](CN)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2 415544469 GGNDUFJXYXSXFZ-NSHDSACASA-N 322.384 2.205 0 50 DEAA COCC[C@H]1CN(C(=O)COc2c(C)ccc(C)c2C)CCO1 55120568 OCKHRSZGMQWXCL-INIZCTEOSA-N 321.417 2.255 0 50 DEAA Cc1ccc(S[C@@H](C)C(=O)NCC(=O)N2CCCC2)cc1 54828993 XHCXDOODFPSHDS-ZDUSSCGKSA-N 306.431 2.214 0 50 DEAA OCC[C@H]1CN(Cc2ccc(O)cc2)CCN1C1CCCC1 22926055 RWTZHPDEJBVZFX-KRWDZBQOSA-N 304.434 2.203 0 50 DEAA CC[C@@H]1C(=O)NCCN1Cc1nc(-c2ccccc2F)oc1C 55042525 UUKXAUQFWJEINC-OAHLLOKOSA-N 317.364 2.500 0 50 DEAA O=C(COc1ccc(C(F)(F)F)cc1)N1C[C@@H](F)C[C@H]1CO 347376661 LBHFANFJWHGRLT-QWRGUYRKSA-N 321.270 2.016 0 50 DEAA COCCCCCC(=O)N1CCC2(CCNC(=O)CC2)CC1 67674261 HHLVPHBQKXCRKI-UHFFFAOYSA-N 310.438 2.102 0 50 DEAA O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 20727013 ZBFAINJOLBNVGC-UHFFFAOYSA-N 307.309 2.092 0 50 DEAA Cc1ncsc1CCN(C)Cc1c(CO)cnc(C)c1O 67673190 GQZBZTCFVRPVQI-UHFFFAOYSA-N 307.419 2.027 0 50 DEAA CC[C@H](C(=O)OC)N(c1nc(Cl)ncc1[N+](=O)[O-])C(C)C 115755281 YZFOSBLUVPNFJV-MRVPVSSYSA-N 316.745 2.205 0 50 DEAA CCN1CCN(C2(CNC(=O)CC(C)C)CCCCC2)CC1 28404241 JGEHCWMIZZZMOR-UHFFFAOYSA-N 309.498 2.489 0 50 DEAA CC(C)(CN1CC(c2nc3ccccc3[nH]2)C1)N1CCOCC1 216425119 QFYNFKPNAHPPHM-UHFFFAOYSA-N 314.433 2.073 0 50 DEAA O=C(O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 4680009 QECSIWCWZDESQM-UHFFFAOYSA-N 315.366 2.234 0 50 DEAA COC(=O)C[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(F)cc1 4770368 FWPJOQPISCYFIK-AAEUAGOBSA-N 308.305 2.198 0 50 DEAA Cc1ccc(OC2(C(=O)O)CCN(c3nccs3)CC2)cn1 72410291 KDQDYGHOTZGGNN-UHFFFAOYSA-N 319.386 2.349 0 50 DEAA Cn1ccc2c(-c3ccc(C(=O)N4CCOCC4)cn3)ccnc21 72412322 VAIAYANMSUKYTC-UHFFFAOYSA-N 322.368 2.108 0 50 DEAA CN(C[C@@H]1CCc2nccn2C1)C(=O)c1ccc2nc[nH]c2c1 328628053 GWCVQKFXSHPEES-LBPRGKRZSA-N 309.373 2.094 0 50 DEAA CN(C[C@H]1CCc2nccn2C1)C(=O)c1ccc2n[nH]cc2c1 328618546 DVJDYCUIDBKDQK-GFCCVEGCSA-N 309.373 2.094 0 50 DEAA CCC1(CO)CCN(c2cc(N[C@H]3CCCOC3)ncn2)CC1 328628612 HJMMBUHFAYSVHA-AWEZNQCLSA-N 320.437 2.056 0 50 DEAA C[C@@H](NC[C@H]1Oc2ccccc2[C@H]1C)C1CCS(=O)(=O)CC1 368281847 OYJDTOHTGFGHOD-PBFPGSCMSA-N 323.458 2.354 0 50 DEAA COc1cc(/C=C/C(=O)N2CCC[C@@H]([C@H](C)N)C2)cc(OC)c1 156414343 GXDIJLIDRUULBU-RPWHMATFSA-N 318.417 2.303 0 50 DEAA CCN(CC)C(=O)c1nnsc1NC(=O)OC(C)(C)C 126089226 GBGICXJNHDKHJN-UHFFFAOYSA-N 300.384 2.367 0 50 DEAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)CC1(C)CCCCC1 241439993 NOEYOCYLTMXMRY-CABCVRRESA-N 314.495 2.455 0 50 DEAA CS[C@H](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 262932803 BMQCUZWTDPAJJS-YGRLFVJLSA-N 320.414 2.421 0 50 DEAA CN(Cc1cnc(N2CCCCC2)nc1)CC1(CO)CCCC1 215357285 OFNZWKRVNKGXHQ-UHFFFAOYSA-N 318.465 2.451 0 50 DEAA COc1cccc2c(N3CC[C@]4(CNC(=O)C4)C3)cc(C)nc12 376045166 DMRAWFMQPNEHBQ-SFHVURJKSA-N 311.385 2.268 0 50 DEAA C[C@H]1COCCN1CCN1Cc2ccccc2OC(C)(C)C1 377588990 YMUYTAXTRVBGPD-HNNXBMFYSA-N 304.434 2.380 0 50 DEAA CCc1nnsc1C(=O)N[C@H]1CCCc2cc(N)ccc21 159319159 PSDCVDPIACAJNP-ZDUSSCGKSA-N 302.403 2.490 0 50 DEAA O=C(O)CCc1nnc(C(=O)Nc2ccc(F)cc2F)s1 34927192 WBIYOXJYXWIBMP-UHFFFAOYSA-N 313.285 2.086 0 50 DEAA CN(Cc1ccccc1N1CCCC1)C(=O)[C@@]1(C)CCNC1 237161887 DOJVZSHNRGUSJR-SFHVURJKSA-N 301.434 2.245 0 50 DEAA Cc1ccc(F)c(OCC(=O)N2C[C@@H](C(=O)O)CC[C@H]2C)c1 263051578 ABLJLGLBGSRBSG-NEPJUHHUSA-N 309.337 2.225 0 50 DEAA CC(=O)N1CCc2c(ncn(C[C@H](C)C3CCCCC3)c2=O)C1 333529615 LYZNAGGUQIMSPK-ZDUSSCGKSA-N 317.433 2.364 0 50 DEAA CNC(=O)c1cccc(CNC(=O)c2cccc3nc(C)[nH]c23)c1 338506663 TUMLSHJWHXEWCR-UHFFFAOYSA-N 322.368 2.161 0 50 DEAA CO[C@@H]1CCCN(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 76406765 UQLURKVXABDDMX-SNVBAGLBSA-N 311.769 2.082 0 50 DEAA O=C(O)c1ccc(C(=O)Nc2ncc(Br)s2)o1 132619695 LTHCGFYQUXAGIR-UHFFFAOYSA-N 317.120 2.449 0 50 DEAA CN(CCCc1nccn1C)[C@@H]1CCOC2(CCOCC2)C1 82099294 UVOJGWRIWRMEQN-OAHLLOKOSA-N 307.438 2.013 0 50 DEAA COCCNc1nc(C)c(C(=O)NCc2ccccc2)s1 40266501 KUNJLORDROKJJQ-UHFFFAOYSA-N 305.403 2.440 0 50 DEAA O=C(NCc1cnc2cnccn12)c1conc1-c1ccccc1 426544760 KHHIMBXLKRYXTH-UHFFFAOYSA-N 319.324 2.314 0 50 DEAA CCCn1cc(NC(=O)NCc2ccc(OC)cc2OC)nn1 95512926 XJYOMIKZYYWRGL-UHFFFAOYSA-N 319.365 2.027 0 50 DEAA CCNc1ncc(C(=O)NC[C@@H](C)N(C)c2ccccc2)cn1 91893520 BAXOGIPJTFFENX-CYBMUJFWSA-N 313.405 2.163 0 50 DEAA CCc1nnc(CN(CC)C(=O)c2cn3ccsc3n2)o1 92046147 VYNUUJFBALOBOL-UHFFFAOYSA-N 305.363 2.004 0 50 DEAA CCn1nc(C)c(CN(CCOC)C(=O)c2cc(C)no2)c1C 97602150 DFVTZSKYQGQJQN-UHFFFAOYSA-N 320.393 2.105 0 50 DEAA CCc1cnc(N)nc1N1CCN(c2nc3ccccc3o2)CC1 91518794 IOMQCXNNMPIWFU-UHFFFAOYSA-N 324.388 2.089 0 50 DEAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cccn1C1CC1 244796114 RTENRCGRMXRVBF-SUYBPPKGSA-N 311.385 2.460 0 50 DEAA O=C(c1cnc2ccccc2c1)N1CCC(Cn2cncn2)CC1 297015527 HSUGPRQQJQOQQZ-UHFFFAOYSA-N 321.384 2.379 0 50 DEAA O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccnnc1 182889330 TZAZVHCNFMRTJM-NSHDSACASA-N 320.755 2.278 0 50 DEAA C[C@H]1CN(C(=O)c2cc(C3CC3)[nH]c2C2CC2)CCS1(=O)=O 625729942 UIDUCOPCIFRIBZ-JTQLQIEISA-N 322.430 2.029 0 50 DEAA COc1cccc(C2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)c1 299751745 RNZJZRCEBWVKHM-GOEBONIOSA-N 306.381 2.101 0 50 DEAA COCc1ccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)o1 299744296 ODJXAAVDLLECPT-DRZSPHRISA-N 307.346 2.284 0 50 DEAA CCC[C@@H](N[C@H]1CCCN(c2ccc(C)cc2)C1=O)C(=O)O 185054130 YDVKAYQOJXGDSJ-LSDHHAIUSA-N 304.390 2.333 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319.098 2.036 0 50 DEAA COC[C@H](Cc1ccccc1)NC(=O)N1CCOC[C@H]1C1CC1 340645464 DTCXPOQAKRZSJX-IRXDYDNUSA-N 318.417 2.065 0 50 DEAA CCC[C@H](C)N1CC2(CCN(Cc3ncc[nH]3)CC2)OC1=O 72425598 CJPJBWTXOORCMU-ZDUSSCGKSA-N 306.410 2.385 0 50 DEAA Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H]1c1ccsc1 284965893 ATECJDXKNFQFGU-LBPRGKRZSA-N 311.432 2.316 0 50 DEAA c1cc(Oc2nnn[nH]2)ccc1NC1CSCCSC1 32577727 IFWMWTULWXIOJF-UHFFFAOYSA-N 309.420 2.253 0 50 DEAA O=C(c1ccncc1)N1CCN([C@@H]2CCc3ccccc3C2)CC1 72163697 XFBUIGQMFIJDGW-LJQANCHMSA-N 321.424 2.397 0 50 DEAA NC(=O)NC(=O)[C@H](c1ccccc1)N1CC[C@@H]2CCCC[C@H]2C1 240668086 HMGQEVPWWCQOBY-BPUTZDHNSA-N 315.417 2.435 0 50 DEAA Cc1noc(C)c1C(C)(C)NC(=O)c1cc(N(C)C)ccn1 286487510 JPUOQCNDXWXUCQ-UHFFFAOYSA-N 302.378 2.418 0 50 DEAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(C(C)C)oc1C 223054102 DCTHDHBIPRKIGZ-ZCDTZLGTSA-N 307.390 2.491 0 50 DEAA O=C(Cc1cccnc1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 222499163 SRHJEWXWOSKIIW-RANZSIQMSA-N 300.402 2.334 0 50 DEAA 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304.277 2.027 0 50 DEAA O=C(NCCc1cnn(-c2ccccc2)n1)c1cccc(F)c1 1875316442 RJNXQICQPUJMBM-UHFFFAOYSA-N 310.332 2.379 0 50 DEAA CCC(CC)(CNC(=O)c1cccc2c1COCC2)C(=O)O 952852396 IZBZFNLWVGKERL-UHFFFAOYSA-N 305.374 2.380 0 50 DEAA CCc1nnc(C[C@@H]2CC[C@H](NC(=O)c3n[nH]c(C)c3C)C2)o1 952889718 LAZMDSJFJQPFPE-NEPJUHHUSA-N 317.393 2.113 0 50 DEAA Cc1ccc(F)c(N2CCC[C@H](n3cc([C@@H](C)O)nn3)C2=O)c1 881303613 GKJXSCJKIJYRBX-RISCZKNCSA-N 318.352 2.147 0 50 DEAA COc1cc2c(cc1CNCCN1CCCC[C@H]1CO)CCC2 952971138 RDGSKKRNGUJSBA-SFHVURJKSA-N 318.461 2.120 0 50 DEAA Cc1noc(C)c1-c1noc([C@H]2OCC[C@H]2Cn2cccn2)n1 886082335 YQYAASVKKOMXLE-AAEUAGOBSA-N 315.333 2.316 0 50 DEAA CC(=O)N(C[C@@H]1CCCN1Cc1cnn2ccccc12)C1CC1 275535358 DZTALABBNNEJCJ-KRWDZBQOSA-N 312.417 2.310 0 50 DEAA O=C(c1ccc(F)cc1O)N1C[C@@H](CO)[C@H](c2ccsc2)C1 187735836 VAWIJGDDXCXWKZ-FZMZJTMJSA-N 321.373 2.441 0 50 DEAA CC(C)(C)N1CCC(NC(=O)c2nnc3ccccc3n2)CC1 280817409 RHFZOLOLXDATIA-UHFFFAOYSA-N 313.405 2.018 0 50 DEAA 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534644725 HEWZRQJWMMCURX-HNNXBMFYSA-N 312.373 2.401 0 50 DEAA COc1ccc(CC2=NO[C@H](C(=O)NCc3ccco3)C2)cc1 299775524 JXWNGUSXKSWXNL-INIZCTEOSA-N 314.341 2.292 0 50 DEAA Cn1cncc1C(=O)Nc1ccccc1OC[C@H]1CCCO1 828202199 GBYFDENMIZPYJH-GFCCVEGCSA-N 301.346 2.230 0 50 DEAA CCCOC[C@H]1CCN(C(=O)Cn2cc3ccccc3n2)C1 584901554 KHXVBSBNQLQSGC-AWEZNQCLSA-N 301.390 2.311 0 50 DEAA COCCn1cncc1CNC(=O)c1nc(C(C)C)cs1 584888204 BHGKJFAMKOSSRH-UHFFFAOYSA-N 308.407 2.039 0 50 DEAA CC(C)c1noc(=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1875319237 URPOBYBIPFPWEE-UHFFFAOYSA-N 310.737 2.433 0 50 DEAA CC(C)c1ccc(CC(=O)N[C@H](CO)C[C@H]2CCOC2)cc1 1875307578 RGIFRCWZCGEOMK-WBVHZDCISA-N 305.418 2.256 0 50 DEAA Cc1nnc(SCC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)o1 952871903 GDDCMGKBNNAKGC-MRVPVSSYSA-N 305.359 2.432 0 50 DEAA CN(C)Cc1cc(O[C@@H]2CCN(Cc3cscn3)C2)ccn1 886056914 QLGXMQXFWPNVCV-MRXNPFEDSA-N 318.446 2.253 0 50 DEAA COc1ccc(CNC[C@H]2CCO[C@@H]2c2cn[nH]c2)c(OC)c1 1775959011 AVVXDSVNTIFYRL-DYVFJYSZSA-N 317.389 2.294 0 50 DEAA CC(C)(CNC(=O)N1CCC[C@H]1C(F)F)C(=O)N1CCCC1 1775993758 JYGIIKXULFFRNY-NSHDSACASA-N 317.380 2.074 0 50 DEAA COc1cc(C(=O)N2CCC(OCC3CCCC3)CC2)ncn1 1433436735 MKBORYCPEYSRFG-UHFFFAOYSA-N 319.405 2.297 0 50 DEAA Cc1ncsc1C(=O)N1CCOC[C@@H]1c1nnc(C(C)C)o1 275354928 MDJHHEIEBPDLLT-SNVBAGLBSA-N 322.390 2.172 0 50 DEAA CNC(=O)c1cc(NC(=O)Cc2cccc(O)c2)ccc1F 170593528 CYTWLFKUTZEQFW-UHFFFAOYSA-N 302.305 2.072 0 50 DEAA C[C@@H]1COCCN1CCSc1nc(Cc2cccs2)n[nH]1 170605572 IRNRDWDSTQGXJQ-LLVKDONJSA-N 324.475 2.270 0 50 DEAA COCCOc1cccc(C(=O)N[C@H](CN(C)C)C(C)C)c1 585145904 KBVPLAGCZKWZJZ-MRXNPFEDSA-N 308.422 2.028 0 50 DEAA Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1coc(CO)c1 635336420 YZNTWFBVBDVGPA-UHFFFAOYSA-N 314.341 2.225 0 50 DEAA CC(C)(C)c1nc(N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)no1 408033872 QJSCZUWJCPWCTR-XHBSWPGZSA-N 309.410 2.123 0 50 DEAA CC(C)c1noc(-c2ccnc(NC3COCCOC3)c2)n1 644137158 SSZSCMYEWQVGMH-UHFFFAOYSA-N 304.350 2.082 0 50 DEAA COc1cc(C(=O)N2CCO[C@@H](C(F)F)C2)cc(OC)c1C 194170907 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Cc1ccccc1-c1nnc(SCC(=O)NC2CC2)n1C 5210025 IDOPCWLHGVGKDC-UHFFFAOYSA-N 302.403 2.161 0 50 DEAA COc1cccc(C(=O)NCCC(=O)NC2CCCCC2)c1 12865917 RNMCZBJRAORZBK-UHFFFAOYSA-N 304.390 2.264 0 50 DEAA OCC[C@@H]1CN(Cc2cccc(O)c2)CCN1C1CCCC1 19835492 CULAPFJHMNPKFZ-QGZVFWFLSA-N 304.434 2.203 0 50 DEAA Cc1nn(C)c2c1[C@H](NC(=O)c1nn(C)c3ccccc13)CCC2 1857695707 VEQXHBZRQHXFAG-CYBMUJFWSA-N 323.400 2.423 0 50 DEAA CC[C@@H](C)n1ncc(NC(=O)N2CCCN(C(C)=O)CC2)c1C 408352065 LYLXTAWVPGCOBT-GFCCVEGCSA-N 321.425 2.249 0 50 DEAA CCc1ccc(CN(C(=O)C(C)C)[C@H]2CCS(=O)(=O)C2)cc1 4318698 XCGPINNJWHWFAO-INIZCTEOSA-N 323.458 2.421 0 50 DEAA O=C(O)CC[C@H]1CCCCN1CC(=O)NCc1ccc(F)cc1 336864840 SATYPFQULOVPDT-OAHLLOKOSA-N 322.380 2.161 0 50 DEAA CC(=O)NCc1ccc(NC(=O)c2ccc3nccn3c2)cc1 353605047 PWDBCJKKMXVWSM-UHFFFAOYSA-N 308.341 2.223 0 50 DEAA CC(C)(C)OC(=O)NC1CCN([C@@H](C(=O)O)c2ccco2)CC1 25726716 YPMFFOGSMOXXLA-CYBMUJFWSA-N 324.377 2.394 0 50 DEAA in-vitro Brc1cnc2[nH]nc(I)c2c1 35269814 ZBPXFBHBTCYAQS-UHFFFAOYSA-N 323.919 2.325 0 50 DEAA in-vitro Cc1cccn2cc(C(=O)N3CC[C@@H](Nc4ncccn4)C3)cc12 823421627 AEYNAKAEPNJRHY-OAHLLOKOSA-N 321.384 2.364 0 50 DEAA Cn1nccc1C[C@@H]1CCCN1C(=O)c1ccc2cccnc2n1 1262823794 PSYVQJCJCKOTNX-HNNXBMFYSA-N 321.384 2.211 0 50 DEAA COc1cc(OC)c(NC(=O)N2CCOCC2)cc1Cl 202570 RAUQBZYXHRMOHP-UHFFFAOYSA-N 300.742 2.221 0 50 DEAA Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)N)C2)c(C)s1 227187887 BLOMDXSUJSPZMO-CMPLNLGQSA-N 302.465 2.113 0 50 DEAA COc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1OC 615898 GVOQVIUIGUCBME-STQMWFEESA-N 321.373 2.211 0 50 DEAA COc1c(CNC(=O)[C@H]2C[C@H](N(C)C)C2)oc2ccccc12 2325784743 GVIQVMKJZOMMFO-HAQNSBGRSA-N 302.374 2.398 0 50 DEAA CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 121263 SFIYOHMWFOWTTD-UHFFFAOYSA-N 318.398 2.466 0 50 DEAA CC(C)[C@@]1(C)C(=O)N(Br)C(=O)N1Br 399382 LKUMQWJNGXOFDP-ZETCQYMHSA-N 313.977 2.285 0 50 DEAA CO[C@H]1CC[C@H](NC(=O)CCC(=O)Nc2cccc(O)c2)CC1 2356146956 BQAZFDFQEJWHRO-NNUKFRKNSA-N 320.389 2.185 0 50 DEAA COc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 2961760 KVWCQIXDRCCFSI-UHFFFAOYSA-N 321.354 2.267 0 50 DEAA Cc1ccc2nc(CN3C(=O)c4ccccc4C3=O)oc(=O)c2c1 3141053 JYZANZNUFFSIGV-UHFFFAOYSA-N 320.304 2.293 0 50 DEAA CNC(=O)c1ccc2cc([C@@]3(O)CCn4cncc43)ccc2c1 3943521 OZPFIJIOIVJZMN-SFHVURJKSA-N 307.353 2.036 0 50 DEAA investigational Cc1ccc(C(=O)NCCCNC(=O)c2cccnc2)cc1C 4487332 YJWFPFQLJSTWKG-UHFFFAOYSA-N 311.385 2.248 0 50 DEAA Cc1noc(C)c1CNCC1(N2CCCCC2)CCOCC1 111403510 RIHUVLICAKGHEN-UHFFFAOYSA-N 307.438 2.416 0 50 DEAA CC[C@@H](O)C(=O)NCc1cccnc1Oc1ccccc1F 67674082 XPSLZRKDOANWSZ-CYBMUJFWSA-N 304.321 2.400 0 50 DEAA OC[C@@H]1CCCCN1CCNc1cc(C(F)(F)F)ccn1 1506416737 LDKZKUUIRKIMDC-LBPRGKRZSA-N 303.328 2.359 0 50 DEAA C[C@@H](NC(=O)CN1CCCC1=O)c1ncc(-c2ccccc2)o1 126107321 BPRUPIMATQRUFE-GFCCVEGCSA-N 313.357 2.141 0 50 DEAA CCN1CCC[C@@H]1CNC(=O)C1=NO[C@@H](c2ccccc2)C1 229869829 HSQYCJAYAZFMLX-GDBMZVCRSA-N 301.390 2.105 0 50 DEAA Cc1occc1CN(C)S(=O)(=O)Cc1ccc(C(=O)O)cc1 314598144 CJCRLTSKGMWHHD-UHFFFAOYSA-N 323.370 2.248 0 50 DEAA CSCC[C@H](NC(=O)c1ccc2c(ccn2C)c1)C(=O)O 170625479 PPUWALAZWVFAIK-LBPRGKRZSA-N 306.387 2.114 0 50 DEAA biogenic Nc1cc(N2CCc3onc(-c4cccc(F)c4)c3C2)ncn1 67982624 MSPLJBVXIWAUEB-UHFFFAOYSA-N 311.320 2.416 0 50 DEAA Cc1cc(C)n2ncc(CN(Cc3noc(C)n3)C(C)C)c2n1 67804564 BQXDGUQBYBGUCG-UHFFFAOYSA-N 314.393 2.448 0 50 DEAA Cc1nnc([C@@H]2COCCN2C(=O)[C@@H]2C[C@@H]2C2CCCCC2)o1 328610149 GQKYJTSSCUTXQW-KFWWJZLASA-N 319.405 2.494 0 50 DEAA COc1ccc([C@@H]2CC(=O)NCc3nc4ccccn4c32)cc1O 65373806 PTEDAQLVAOPBBU-LBPRGKRZSA-N 323.352 2.200 0 50 DEAA COCC[C@@H]1CCCCN1C(=O)c1ccc(-n2cnnc2)cc1 67714694 NRTOZDZRCXLOBL-INIZCTEOSA-N 314.389 2.299 0 50 DEAA Cc1cccc(Oc2ccccc2C(=O)N[C@H]2CNC(=O)C2)c1 442888893 CFCALRFTJMJNCF-CYBMUJFWSA-N 310.353 2.406 0 50 DEAA NC(=O)CC[C@@H]1CCCN(C(=O)C2CCC(F)(F)CC2)C1 127039200 ZVZVFEUEPSMZSK-NSHDSACASA-N 302.365 2.316 0 50 DEAA CCc1cc(N[C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)ncn1 72131956 CUOKFBOVLWZAFM-INIZCTEOSA-N 322.412 2.219 0 50 DEAA NC(=O)[C@@H]1CN(Cc2ccc(Oc3ccccc3)cc2)CCO1 215511926 BYSDQJYKXYAKHB-KRWDZBQOSA-N 312.369 2.165 0 50 DEAA COc1ccc(Cl)cc1/C=C/C(=O)N1CC[C@H](C(=O)O)C1 237253065 ZYPMURIHOZIUDY-DGXRNCNBSA-N 309.749 2.295 0 50 DEAA CSCc1noc(CNC(=O)Cc2cc(F)cc(F)c2)n1 219521062 NZEAQXIISUBONR-UHFFFAOYSA-N 313.329 2.070 0 50 DEAA O=C(c1cnn2ccccc12)N1CC[C@@H](OCc2ccccn2)C1 488086335 JIJZZHYQRKTYBP-OAHLLOKOSA-N 322.368 2.161 0 50 DEAA CCOCCN1CCN(C(=O)Nc2cc(C)ccn2)C[C@H]1CC 133553582 CYIFGKKTKMFTJE-OAHLLOKOSA-N 320.437 2.355 0 50 DEAA Cc1cccc(OCCN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 284735271 INZGUJDMHVCDEH-KSZLIROESA-N 305.418 2.236 0 50 DEAA CC(C)N1CC[C@@H](NC2CCC(O)(c3ccccc3)CC2)C1=O 375206017 GKBWTGMMGDCGIO-TVRKMHQQSA-N 316.445 2.416 0 50 DEAA Cc1nnc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)n1C1CC1 375543752 SBRZYBAWTQXOJS-CYBMUJFWSA-N 302.309 2.003 0 50 DEAA Cc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Cl 32498294 GPWUUBVQKTXOIQ-QWRGUYRKSA-N 303.811 2.446 0 50 DEAA C[C@](O)(CC(=O)N1CCCN(c2ccccc2F)CC1)C1CC1 376460385 IVQOSIBQHTUOBH-SFHVURJKSA-N 320.408 2.416 0 50 DEAA CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1C[C@H]1C(=O)O 262627120 NUEBCEOLTSHEQS-NXEZZACHSA-N 317.263 2.264 0 50 DEAA CCN(c1ccc(C(=O)NCC[C@H]2CCC(=O)N2)cc1)C(C)C 241644475 PRAWVOZUQGPWQY-OAHLLOKOSA-N 317.433 2.320 0 50 DEAA C[C@H](N)[C@@H](C)C(=O)N(C)[C@@H](c1ccc(F)cc1)c1ncccn1 377208125 PNFIHVREUOFNFM-XUJVJEKNSA-N 316.380 2.147 0 50 DEAA CCCc1nc(N(C)Cc2nccs2)c2cnn(C)c2n1 72139166 YIEUGQWVSXUVHI-UHFFFAOYSA-N 302.407 2.409 0 50 DEAA COCCc1cc(NC(=O)[C@@H]2CCc3cc(F)ccc32)n(C)n1 612592002 ZGOIAXRJEVMMCK-OAHLLOKOSA-N 317.364 2.417 0 50 DEAA COc1ccc(C(=O)N(Cc2nccn2C)C2CC2)cc1F 47237695 SUIJIWXZDUBIQD-UHFFFAOYSA-N 303.337 2.373 0 50 DEAA Cc1n[nH]c(C)c1CCN(C)C(=O)NCC[C@H]1CCCCN1C 426500020 AQTBOLUAWOFGNV-OAHLLOKOSA-N 321.469 2.085 0 50 DEAA COc1cccc(-c2c[nH]c(C(=O)N3CCOCC3)c2)c1OC 426394624 PQQRBAMRGUAWQP-UHFFFAOYSA-N 316.357 2.171 0 50 DEAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(CCC)on1 82108296 RMPNGARFMAWMSY-CQSZACIVSA-N 307.394 2.100 0 50 DEAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CCO1 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CCOC(=O)C1=C(C)NC(=S)N[C@H]1/C=C/c1ccccc1 2489603 AMECLYLJNKGTGH-LXKVQUBZSA-N 302.399 2.383 0 50 DEAA CN1CC[C@@H](n2ccnc2-c2cccc(-n3cccn3)c2)C1=O 1857674942 DVOZTORQALGDOF-OAHLLOKOSA-N 307.357 2.139 0 50 DEAA CCC[C@]1(CO)CCN(C(=O)c2c[nH]c3ccccc23)C[C@@H]1O 1857734750 PRGNIKOJYACRCD-FUHWJXTLSA-N 316.401 2.154 0 50 DEAA CC(C)(C)n1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)cn1 236762060 HLKPILARRKIHFV-ZDUSSCGKSA-N 307.394 2.498 0 50 DEAA CNC[C@H](C)CNC(=O)c1cccc(Nc2ccc(C)nn2)c1 237194098 DRZOWYXKLFBUCS-LBPRGKRZSA-N 313.405 2.114 0 50 DEAA CCOc1c(F)cccc1C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C 346700405 PROVVAHELLSTIG-STQMWFEESA-N 324.396 2.016 0 50 DEAA Cc1cc(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)nn1C 262601108 JWXNGTSBIQMVEW-UHFFFAOYSA-N 321.764 2.109 0 50 DEAA CCOC(=O)Nc1scnc1C(=O)NCc1ccnc(C)c1 496851988 AXTVPOWRFRIKFP-UHFFFAOYSA-N 320.374 2.345 0 50 DEAA CON(C)S(=O)(=O)c1ccc(-c2cccc(C(=O)O)c2)cc1 844205952 SSTBQTJWLSFILP-UHFFFAOYSA-N 321.354 2.234 0 50 DEAA Cc1ccc(N2CCN(C(=O)c3cccnc3F)CC2=O)cc1 807663157 JXVKZXBNRUUYMN-UHFFFAOYSA-N 313.332 2.018 0 50 DEAA C[C@@H]1CCCN(C(=O)c2occc2Br)[C@H]1CN 237530490 KQELCXAMJHJQHR-SCZZXKLOSA-N 301.184 2.242 0 50 DEAA CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3NCc1cc[nH]n1 328546527 NWZMTGBEDZNYQV-ULQWKZLWSA-N 318.421 2.143 0 50 DEAA C[C@@H]1C[C@@H](CO)CN(c2ncc(Br)cc2C#N)C1 398659134 DDYMSYWFNYNVMT-NXEZZACHSA-N 310.195 2.170 0 50 DEAA CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(O)c2)NC(=O)N1 71501 WRLLZYDNDSEWPM-AWEZNQCLSA-N 304.346 2.219 0 50 DEAA Cc1nc(C)c2c(n1)O[C@H](CN1CCc3ccccc3CC1)C2 2100539315 CEPRMKKUZWSAJM-KRWDZBQOSA-N 309.413 2.498 0 50 DEAA Cc1ccoc1-c1nnc(NC(=O)C[C@H]2CCCNC2)s1 2325755877 KTQQSONAWKLEKK-SNVBAGLBSA-N 306.391 2.435 0 50 DEAA Cc1nc(CCN)sc1C(=O)N(C)C[C@H](C)c1nccs1 2325786495 QIAUIXUUHFVSOY-VIFPVBQESA-N 324.475 2.285 0 50 DEAA CC[C@H](Cc1nn[nH]n1)NC(=O)c1cc(Cl)ccc1Cl 2325806537 ODICTCLYTSXDSP-MRVPVSSYSA-N 314.176 2.258 0 50 DEAA C[C@@H]1CN(C(=O)[C@@H]2CCc3c(cnn3C)C2)CC2(CCCC2)O1 2325813473 GBDOTDFDEKMTEX-ZIAGYGMSSA-N 317.433 2.085 0 50 DEAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)OC1CCCCC1 2554987 LCROEWWBGGSFOR-NSHDSACASA-N 315.366 2.230 0 50 DEAA Cc1nn(C)c2c1[C@H](NC(=O)c1ccc3ccn(C)c3n1)CCC2 2356155899 NIHVVKJIOLOKIW-CYBMUJFWSA-N 323.400 2.423 0 50 DEAA CC[C@]1(O)CCC[C@H]2CN(C(=O)CCc3ccncc3)C[C@H]21 2356166978 QIMKSUVJHYWBHF-JZXOWHBKSA-N 302.418 2.414 0 50 DEAA CC(C)Cc1nnc(CNS(=O)(=O)/C=C/c2ccccc2)o1 225832307 BKQOWMMFHPEWPW-CMDGGOBGSA-N 321.402 2.358 0 50 DEAA CCCCN(Cc1ccccc1C)C(=O)CNC(=O)N(C)C 55404942 OPFFTMSVIQYRKK-UHFFFAOYSA-N 305.422 2.395 0 50 DEAA CCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)s1 59741233 HBEUCAHPJRHYLN-SNVBAGLBSA-N 324.450 2.324 0 50 DEAA CCC[C@@H](C)NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 65364773 QUNBZJPQYZOLPI-GFCCVEGCSA-N 312.435 2.309 0 50 DEAA CCOc1ccccc1CCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 67845264 JEODZJVRJWCIJT-HNNXBMFYSA-N 318.417 2.001 0 50 DEAA CN1C[C@@H](N)C[C@H]1C(=O)NCc1csc2ccc(Cl)cc12 67654702 NNMBCSNJXCLQDI-AAEUAGOBSA-N 323.849 2.202 0 50 DEAA O=C(Nc1cccc(CN2CCOCC2)n1)[C@H]1CC12CCCC2 348787650 OWZYBKGHVMSPLI-OAHLLOKOSA-N 315.417 2.433 0 50 DEAA Cc1nn(-c2cncc(C(N)=O)c2)c(C)c1-c1ccccc1O 65433684 KKXPFOKNLORNBM-UHFFFAOYSA-N 308.341 2.356 0 50 DEAA CC[C@@]1(C)C(=O)NCCN1Cc1cccc(Cn2cccn2)c1 67804902 IUITWGYAFJWBQJ-SFHVURJKSA-N 312.417 2.032 0 50 DEAA C[C@@H]1OCCC[C@H]1C(=O)NCc1cc(O)nc2ccccc12 332110736 CBRLYXARSJLEAK-WCQYABFASA-N 300.358 2.372 0 50 DEAA Cc1nc(C)n(C[C@H]2CCCN2C[C@@H](O)c2ccccc2)n1 229480890 KIGKFMDQOFDSCV-IAGOWNOFSA-N 300.406 2.093 0 50 DEAA CCc1c(C)nn(CCNC(=O)c2cc(C(C)C)nn2C)c1C 65376431 GEBHQKCIEZFUQB-UHFFFAOYSA-N 317.437 2.349 0 50 DEAA C[C@H](O)CN(Cc1ccc(F)c(Br)c1)C[C@H](C)O 757336 XSRWSQKFIPEAKX-UWVGGRQHSA-N 320.202 2.152 0 50 DEAA Cc1cc(C)c(NC(=O)CN2CCN(C3CC3)CC2)c(C)c1 126022206 CLWNCLWZVKHWEP-UHFFFAOYSA-N 301.434 2.330 0 50 DEAA O=C(Nc1ccccn1)NS(=O)(=O)c1ccccc1Cl 5395013 XWYMQMMXILTFFS-UHFFFAOYSA-N 311.750 2.245 0 50 DEAA Cc1nc(-c2ccccc2NC(=O)N2CC[C@@H]([C@@H](C)O)C2)no1 363723536 MPWQPMRKAGHQSS-ZYHUDNBSSA-N 316.361 2.280 0 50 DEAA O=C(c1ccc[nH]1)N(Cc1nccs1)[C@H]1CC12CCNCC2 435577851 VZBXVRAEAUTSKL-ZDUSSCGKSA-N 316.430 2.256 0 50 DEAA CN(C)c1ncccc1CNC(=O)c1ccc(O)c(Cl)c1 32685853 NFIWMJCYJYDPJV-UHFFFAOYSA-N 305.765 2.437 0 50 DEAA Cc1oc(-c2cccs2)nc1CN[C@@H](CO)[C@H]1CCCO1 447905996 NSNAFUGPZOMFME-QWHCGFSZSA-N 308.403 2.341 0 50 DEAA CCOCC(=O)N1CCC[C@H](C(=O)CCc2ccccc2)C1 77287433 VEBWXLOTESAEDR-INIZCTEOSA-N 303.402 2.463 0 50 DEAA CN(C(=O)c1cc(N2CCOCC2)ccn1)C(C1CC1)C1CC1 130362752 YHYKNDBNIZKGBR-UHFFFAOYSA-N 315.417 2.179 0 50 DEAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cnn4c3CCCC4)C2)n1 72172486 FIWGSUFMVOMOIL-AWEZNQCLSA-N 313.405 2.120 0 50 DEAA CN(Cc1ccc2nonc2c1)[C@H]1CCOC2(CCOCC2)C1 77555142 PTZWNBWAEKQUEG-AWEZNQCLSA-N 317.389 2.383 0 50 DEAA O[C@@]1(c2c[nH]nn2)CCN(Cc2cc(Cl)ccc2Cl)C1 285542721 PZUINBLEUOQLSU-ZDUSSCGKSA-N 313.188 2.205 0 50 DEAA c1ccc(-c2ncc(CN3CCCn4cncc4C3)cn2)nc1 72150617 JJIDSQWHVVEBQD-UHFFFAOYSA-N 306.373 2.141 0 50 DEAA O=C(CCCn1cccc1)NC[C@H](c1ccccc1)c1nc[nH]n1 456692993 MJPNIWACSKWOOT-MRXNPFEDSA-N 323.400 2.335 0 50 DEAA CN(C)c1ncc(CN2CC(Oc3ccccc3Cl)C2)cn1 72153171 ASAVNTCQFFIYJV-UHFFFAOYSA-N 318.808 2.459 0 50 DEAA O[C@@H]1c2ccccc2C[C@H]1N1CC[C@H](n2cc(Cl)cn2)C1 289982592 RUIGSSGZOONMRN-NUEKZKHPSA-N 303.793 2.442 0 50 DEAA COc1ccnc(N2CCC[C@H](c3nccn3CC3CC3)C2)n1 82138685 OVLJJTYHSDULPY-AWEZNQCLSA-N 313.405 2.476 0 50 DEAA CCn1ncnc1[C@H](C)NC(=O)CSc1cccc(OC)c1 223751570 DVIWIUHMLQOXRW-NSHDSACASA-N 320.418 2.276 0 50 DEAA CN(C1Cc2ccccc2C1)[C@@H]1CCN(CC(F)(F)F)C1=O 264681460 CWMCLRWNSREKHW-CQSZACIVSA-N 312.335 2.249 0 50 DEAA Cc1c([C@H](C)NC(=O)N2CCC3(CCCO3)CC2)cnn1C 426707391 JENHUNKDEDQKSW-LBPRGKRZSA-N 306.410 2.144 0 50 DEAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(O)nn1)[C@@H]2C 332529072 QJKHSDIYVLCFIC-GHMZBOCLSA-N 313.357 2.339 0 50 DEAA CC(C)c1ccc(S(=O)(=O)N2CC[C@@H](C)[C@H](CO)C2)cc1 621310366 RZEKNUDFAJCMIM-HIFRSBDPSA-N 311.447 2.449 0 50 DEAA CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NC(=O)CN)C1 91726266 KFPDVZLBUBDXHC-CQSZACIVSA-N 316.380 2.100 0 50 DEAA CC[C@H](C(=O)NCCc1c(C)nn(CC)c1C)n1cccn1 92022606 FQZCEUUONZEUNT-OAHLLOKOSA-N 303.410 2.026 0 50 DEAA CCn1ncnc1[C@@H](C)NCc1cc(=O)c2cccc(F)c2[nH]1 92003993 RPWWAAFKWSNZHB-SNVBAGLBSA-N 315.352 2.129 0 50 DEAA Cn1cncc1CNCCNc1cccc(Br)c1 180919200 DXMYFUOQVUHFMV-UHFFFAOYSA-N 309.211 2.384 0 50 DEAA Cc1ncc(N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)nc1C 91808057 KFLOZCWSTYNIOI-GOSISDBHSA-N 314.433 2.322 0 50 DEAA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3ccccn3)C(=O)[C@H]12 247713207 LLBBWARKCUMGMJ-IEAZIUSSSA-N 318.332 2.041 0 50 DEAA O=C(CCN1CCN2CCC[C@@H]2C1)NCc1cccc(Cl)c1 252482398 DERCCYCWQNKCSG-MRXNPFEDSA-N 321.852 2.126 0 50 DEAA CCOC(=O)[C@H](NC(=O)c1cn(C)cn1)c1cccc(C)c1C 184083815 BRLYUPJCBHWLGR-OAHLLOKOSA-N 315.373 2.071 0 50 DEAA Cc1cccc(NC(=O)[C@@H](C)N2CC(N3CCCCC3)C2)c1 299787363 URVYFFKGEUVBOZ-OAHLLOKOSA-N 301.434 2.492 0 50 DEAA Cc1cc(S(=O)(=O)NCc2cncn2C2CC2)c(C)s1 825312734 DGWGPJZFDQJFCQ-UHFFFAOYSA-N 311.432 2.375 0 50 DEAA Cc1cnn(CCC(=O)NCc2ccc3c(c2)nc(C)n3C)c1 827822406 MVSWEMIWEGDZHB-UHFFFAOYSA-N 311.389 2.093 0 50 DEAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)CN1CCCCCC1 827881281 UUQGBORLMCXHEM-INIZCTEOSA-N 302.418 2.325 0 50 DEAA CC[C@H](O)C1CCN(C(=O)c2cccc3c2CCC3=O)CC1 584885981 IAIPUKZSXMMAIR-INIZCTEOSA-N 301.386 2.439 0 50 DEAA CCc1nnc(Cn2cnc3c(C)c(C)ccc3c2=O)s1 584891493 FNAYTGIIDOASRY-UHFFFAOYSA-N 300.387 2.476 0 50 DEAA COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc(C=O)c12 66054192 GVFBOMUFVCYKOX-UHFFFAOYSA-N 304.302 2.419 0 50 DEAA in-vitro Cc1nonc1CNC(=O)N1CC[C@H](c2ccc(F)cc2)C1 873283031 YIGDACZGEFYHRQ-LBPRGKRZSA-N 304.325 2.216 0 50 DEAA O=C1NC2(COC2)C(=O)N1c1ccc([C@@H](F)C(F)(F)F)cc1 1875283262 LNJFGALCBQTPGI-SECBINFHSA-N 318.226 2.085 0 50 DEAA Oc1cc(N2CCC(Nc3ccccn3)CC2)c(Cl)nn1 1875272064 MRBOLOYEXBNCLU-UHFFFAOYSA-N 305.769 2.312 0 50 DEAA CN(C)C/C=C/C(=O)N[C@H](Cc1cccnc1)C1CCCC1 1875376546 ANLZHVBZZDTDCZ-DKISHCGFSA-N 301.434 2.417 0 50 DEAA Cn1nc(C2CCCC2)cc1C(=O)N[C@@H]1CCC[C@H](C(=O)O)C1 1875305824 JHELGUVAEZMJRW-QWHCGFSZSA-N 319.405 2.451 0 50 DEAA CCN(C)[C@H](C)C(=O)Nc1cc(C(=O)NC(C)C)ccc1C 952972810 HPSDTUUJGYVTFU-CYBMUJFWSA-N 305.422 2.412 0 50 DEAA Cc1cc(C)n(C2CN(C(=O)C3(N4CCCC4)CCCC3)C2)n1 952869639 KVRYFXOEQMYBCL-UHFFFAOYSA-N 316.449 2.292 0 50 DEAA COc1ccc(-c2n[nH]cc2CN[C@H](C)c2nncn2C)cc1 952868292 IUERZQRGHYPXCG-LLVKDONJSA-N 312.377 2.065 0 50 DEAA CC(C)(C)c1nc(CN2CCN(c3cncc(F)c3)CC2)no1 270915597 OKSGATKBBMKXIF-UHFFFAOYSA-N 319.384 2.223 0 50 DEAA CCN(C)C[C@]12COC[C@H]1CN(C(=O)c1c(F)cccc1F)C2 1776007350 YWOLRDAITDTRHV-PXAZEXFGSA-N 324.371 2.005 0 50 DEAA Cn1ncc(C2CCC2)c1CNC(=O)C1(C(=O)O)CCCCC1 1605559165 FOFHTVJTYJFATI-UHFFFAOYSA-N 319.405 2.339 0 50 DEAA O=C(c1cnn2ccncc12)N1CCO[C@H](c2ccccc2)CC1 1353296255 VZXKRSMQFPHEBI-KRWDZBQOSA-N 322.368 2.333 0 50 DEAA CC[C@H]1OCCC[C@H]1C(=O)Nc1cncc(-c2nncn2C)c1 277673301 PDANCPRQSKMHAS-ZIAGYGMSSA-N 315.377 2.021 0 50 DEAA CC(C)[S@](=O)c1ccc(C(=O)NC[C@@H]2CC[C@H](O)C2)cc1 170090017 RUWKWFUQMMWWDM-YLGBZRSBSA-N 309.431 2.093 0 50 DEAA O=C(Cn1ccc(=O)c2ccccc21)Nc1cc(C2CC2)n[nH]1 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Cc1nc2ccc(C(=O)N3CCC[C@H]3C3(O)CC3)cc2nc1C 1772818926 BGCYLMPCWYEZIC-INIZCTEOSA-N 311.385 2.376 0 50 DEAA O=C(NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1)c1ccco1 11782350 ZZAAALCMSHQYMN-ZDUSSCGKSA-N 321.336 2.470 0 50 DEAA O=C(NC1CCC1)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 12438944 POVSAESKCRIPKI-ZDUSSCGKSA-N 304.365 2.233 0 50 DEAA Cc1cc(C)cc(NC(=O)N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c1 1857669442 ZEWRGGUOSREQAP-SUMWQHHRSA-N 318.373 2.258 0 50 DEAA COc1cc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)ccc1C 407954980 GRHUVMLIHKHQJY-XHSDSOJGSA-N 319.401 2.006 0 50 DEAA CS(=O)(=O)NCCCN[C@H]1CCCC[C@H]1c1ccccc1 221868667 DCXCYAXWFSWESW-HOTGVXAUSA-N 310.463 2.242 0 50 DEAA Cn1c(-c2nc(-c3cnccn3)no2)cc2ccccc2c1=O 349767329 XLMXXNXPDBGOOZ-UHFFFAOYSA-N 305.297 2.046 0 50 DEAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1noc2c1CCCC2 252551367 UDFSDXUHOFKILU-DRZSPHRISA-N 318.373 2.411 0 50 DEAA Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1ccnn1C(C)C 366250328 SCJXFTBUNROIJB-HNNXBMFYSA-N 303.410 2.377 0 50 DEAA 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COCCn1cncc1CN1CC(Oc2cccc(C)c2)C1 299764286 RGRLYMVSJNIJBB-UHFFFAOYSA-N 301.390 2.101 0 50 DEAA O[C@@H]1CCCN(CCCNc2cccc(C(F)(F)F)n2)C1 828627339 BHIADOHXJSJSHC-LLVKDONJSA-N 303.328 2.359 0 50 DEAA CSc1ncc(CNC(=O)Nc2ccc3c(c2)OCO3)n1C 824959654 UDQLBXIREUFKSK-UHFFFAOYSA-N 320.374 2.192 0 50 DEAA CNc1ccc(Cl)cc1C(=O)N1C[C@H]2[C@H](CN(C)C)[C@H]2C1 584889647 PCNIZBSWXSHRON-ZSOGYDGISA-N 307.825 2.261 0 50 DEAA CCc1ccc(CN(C)C(=O)NC[C@H](C)N2CCCC2)nc1 584891601 UMYPQLWDOLVQKP-AWEZNQCLSA-N 304.438 2.270 0 50 DEAA COc1cccc([C@@H](NC(=O)OCCF)c2nccn2C)c1 685940221 LQNWWTXJXGAFQE-CYBMUJFWSA-N 307.325 2.214 0 50 DEAA O=C(NC[C@H](C(=O)O)C1CCCCC1)c1n[nH]c2c1CCCC2 630263941 CSLXKEZNCMBMPQ-ZDUSSCGKSA-N 319.405 2.299 0 50 DEAA CSCc1cn(C[C@@H]2CCCN2C(=O)c2cc(C)co2)nn1 1875323665 ORXOBSOEAVOMMD-ZDUSSCGKSA-N 320.418 2.347 0 50 DEAA COC(=O)/C=C/C(=O)N[C@H](C)c1cnn(-c2ccccc2)c1C 1875379163 NWGFPKFJSGVFQO-BZYZDCJZSA-N 313.357 2.087 0 50 DEAA C[C@@H]1CCn2cc(C(=O)N3CCCC(C)(C)[C@H]3C(=O)O)nc2C1 1875318942 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C[C@@H]1CC[C@@H](S(=O)(=O)NCc2ccccc2-n2ccnc2)C1 1615585609 JOOHRKXGOBAOFK-UKRRQHHQSA-N 319.430 2.480 0 50 DEAA Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2)cn1 12435502 BXQZWPRPVHXFEO-KRWDZBQOSA-N 310.401 2.179 0 50 DEAA Cc1scc(C(=O)N2CCN(c3ncccn3)CC2)c1C 16605521 PPSXPSRQBINRSV-UHFFFAOYSA-N 302.403 2.117 0 50 DEAA CC(C)c1nc(CNC(=O)c2ccc(N(C)C(C)C)nc2)no1 19744532 DJULTIKZXWEXAT-UHFFFAOYSA-N 317.393 2.363 0 50 DEAA C[C@H]1CN(C2CCN(C(=O)c3ccccc3)CC2)C[C@H](C)O1 19868087 OJSQJYYLFNJTIJ-GJZGRUSLSA-N 302.418 2.400 0 50 DEAA Cc1ccc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)nc1 1857528229 ARMVFVBPUJGOSV-MNOVXSKESA-N 300.362 2.065 0 50 DEAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@@H]1C1(O)CC1 1857688336 DKIHAEFDGUYOPK-OAHLLOKOSA-N 324.384 2.350 0 50 DEAA COCCN(C)c1ccc(CN2CCOC3(CCCC3)C2)cn1 225394741 JEISZMDZTCBFBL-UHFFFAOYSA-N 319.449 2.309 0 50 DEAA COCC[C@H](CO)NC(=O)c1csc(-c2ccccc2F)n1 225624774 BQKHVOICYFXXQP-SNVBAGLBSA-N 324.377 2.076 0 50 DEAA CCn1ncc(Cl)c1C(=O)NCCc1ccc(C(=O)O)cc1 621532720 KWGSSNCHHHJXDM-UHFFFAOYSA-N 321.764 2.227 0 50 DEAA Cc1c(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)cnn1C(C)(C)C 229356714 APDYKJZNWCQUKL-CABCVRRESA-N 304.438 2.303 0 50 DEAA CCCc1ccc(OC[C@H](O)CN2CCN(CC)CC2)cc1 19790841 JSWOVPBZMRZSFJ-QGZVFWFLSA-N 306.450 2.016 0 50 DEAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)CC2=CCCCC2)CC1 368487035 GADCAIJCXXPPDT-DOTOQJQBSA-N 320.433 2.006 0 50 DEAA CC[C@@](NC(=O)c1cc(C)[nH]n1)(C(=O)O)c1ccc(Cl)cc1 262021141 GDZFIVYSLPOWKD-HNNXBMFYSA-N 321.764 2.491 0 50 DEAA CC(C)Oc1ccc(CCNC(=O)[C@]2(C)CCN(C)C2=O)cc1 585121703 WRKFYRJHXBKKHQ-SFHVURJKSA-N 318.417 2.001 0 50 DEAA Cc1cc(=O)c(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)c[nH]1 902699486 MGYNUQQTMWHRRY-HNNXBMFYSA-N 323.396 2.308 0 50 DEAA O=C(O)c1ccc2c(c1)CN(C(=O)c1coc(C3CC3)n1)CC2 909450822 OHOBTWIGPSGMNI-UHFFFAOYSA-N 312.325 2.449 0 50 DEAA Cc1cc(N2CCC[C@H](NC[C@H](O)c3ccccc3)C2)n(C)n1 819267718 WIEUONZCTMRGRJ-IRXDYDNUSA-N 314.433 2.021 0 50 DEAA COc1cc(S(C)(=O)=O)ccc1NC(=O)OC(C)(C)C 953039481 ATVYDMWDGZCRJI-UHFFFAOYSA-N 301.364 2.446 0 50 DEAA CC1(C)CC[C@](N)(C(=O)N2CCC([C@H]3NCC3(C)C)CC2)C1 2325768507 NRTWPKYEVVKHNL-RDTXWAMCSA-N 307.482 2.131 0 50 DEAA CCc1ccc(S(=O)(=O)NCC[C@H](COC)C(C)C)o1 2325782529 DXBGFNIANPQAAM-GFCCVEGCSA-N 303.424 2.429 0 50 DEAA Cc1cnn(C2CCN(C(=O)NCCP(C)(C)=O)CC2)c1 2325817458 NEDYVCZVFIPEKK-UHFFFAOYSA-N 312.354 2.161 0 50 DEAA COc1ccc(Cl)cc1S(=O)(=O)n1nnc2ccccc21 53222 CWUGWZULWPZDFN-UHFFFAOYSA-N 323.761 2.330 0 50 DEAA O=C1Nc2ccc(Br)cc2[C@]1(O)Cc1ccncc1 81538 RPPLCDDMDBHZIC-CQSZACIVSA-N 319.158 2.227 0 50 DEAA Cc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1 226272 WUMSGBCXWWUVAN-UHFFFAOYSA-N 302.355 2.142 0 50 DEAA Cn1cc(C(=O)c2nc(Cc3ccccc3Cl)no2)cn1 113713862 JGTAGZDZZXYVDX-UHFFFAOYSA-N 302.721 2.278 0 50 DEAA CN1CCC[C@@H](CNC(=O)c2cnsn2)[C@H]1c1cccs1 247412557 NILKWJARXKZRNY-GWCFXTLKSA-N 322.459 2.413 0 50 DEAA O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccccc1 20419241 OIQQJEDDLKTDHM-UHFFFAOYSA-N 309.413 2.443 0 50 DEAA O=C(O)c1cccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)c1 100631500 DVZAXOPJQHOGRB-VXGBXAGGSA-N 305.717 2.407 0 50 DEAA C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 117805363 YTTFIMZMIPNHES-DOMZBBRYSA-N 300.362 2.326 0 50 DEAA O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCCCO1 120021387 ZXRYMLKWGGXHNQ-QGZVFWFLSA-N 320.408 2.475 0 50 DEAA Cc1noc(CNC(=O)Nc2cccc3c2OC(C)(C)C3)n1 252478541 APDGJEJQTCTEQU-UHFFFAOYSA-N 302.334 2.413 0 50 DEAA CCc1ccc(CN(C)c2cc(N3CCCC3)nc(N)n2)nc1 65435749 OILMDAHSHHGXQD-UHFFFAOYSA-N 312.421 2.253 0 50 DEAA Cc1nnnn1-c1cccc(-c2nc(Cc3ccccc3)n[nH]2)c1 65428352 KDKDMCLAWBVFQP-UHFFFAOYSA-N 317.356 2.347 0 50 DEAA Cc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1C 459596 APFDDJHDJUNTBS-UHFFFAOYSA-N 323.356 2.297 0 50 DEAA aggregator CCn1nccc1CN(C)S(=O)(=O)c1cc(C)ccc1C 2791927 ORZZQONYZLZPQJ-UHFFFAOYSA-N 307.419 2.341 0 50 DEAA Cn1nccc1[C@H]1OCC[C@@H]1Nc1ncnc2cccc(F)c12 284444512 BYCHDPPJKSRZNQ-WFASDCNBSA-N 313.336 2.445 0 50 DEAA O=C1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)N1 330398258 CIPNEYSUPUWYKJ-GFCCVEGCSA-N 315.200 2.321 0 50 DEAA C[C@H](C(=O)N1CCC[C@H](C(=N)O)C1)N(C)C[C@H]1CC=CCC1 330843369 NCBYVGJAWCBUCV-ILXRZTDVSA-N 307.438 2.437 0 50 DEAA N[C@H]1CC[C@H](C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1 237925742 CMTSODYPSWUCOE-KBPBESRZSA-N 312.417 2.396 0 50 DEAA Cc1[nH]c2c(c1C(=O)N(C)C[C@H]1CCCCO1)C(=O)CCC2 218841070 UBLYBHHVRMGMRZ-GFCCVEGCSA-N 304.390 2.483 0 50 DEAA CCc1nnc(CN2CCC3(CC2)C(=O)Nc2ccccc23)o1 72148694 WXZSAKBXVODVFA-UHFFFAOYSA-N 312.373 2.118 0 50 DEAA CN1CC[C@H]2OCCN(c3ccc(C(F)(F)F)cn3)[C@H]2C1 284634818 VEYKLGHONCLXOQ-NWDGAFQWSA-N 301.312 2.010 0 50 DEAA Cc1nc2n(c1C)CCN(C(=O)[C@@H]1COc3ccccc3C1)C2 370943619 ZFFCQDXHCLWVQU-HNNXBMFYSA-N 311.385 2.093 0 50 DEAA C[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1nncn1C 72470363 BDUIYSJEHDKROR-LBPRGKRZSA-N 316.405 2.010 0 50 DEAA Cc1ccc2c(c1)CC[C@H](C(=O)NCCc1cc(C)no1)O2 375922588 NYFGAFAJZPJCAG-MRXNPFEDSA-N 300.358 2.344 0 50 DEAA COc1ccnc(N[C@@H]2CCOC[C@H]2OCc2ccccc2)n1 219584440 CHCDHFKBBHNBAY-HUUCEWRRSA-N 315.373 2.271 0 50 DEAA Cc1nc2ccccn2c1CC(=O)N1CCC[C@H](N(C)C)CC1 72153176 QLPHFSMVLHRSBC-HNNXBMFYSA-N 314.433 2.128 0 50 DEAA O=C(Cn1cc(Cl)cn1)N[C@H]1CC[C@H]1NC1CCCCCC1 72411527 OMHAMTAPKQLDHY-CABCVRRESA-N 324.856 2.496 0 50 DEAA COC(OC)[C@@H](C)NC(=O)COc1cc(Cl)ccc1Cl 288710914 CLSPPYOSDWYKPR-MRVPVSSYSA-N 322.188 2.496 0 50 DEAA CCN(C)C(C)(C)CNC(=O)[C@@H](c1ccccc1C)N(C)C 95525555 QCVZIKKFUBEMMI-MRXNPFEDSA-N 305.466 2.444 0 50 DEAA CCOC[C@@H]1CCCN1C(=O)Cc1ccc2nc(C)[nH]c2c1 426411567 VEWZEQSCJUFFFP-AWEZNQCLSA-N 301.390 2.441 0 50 DEAA O=C(CCc1nc([C@@H]2CCOC2)no1)NC1CCCCCC1 96141497 LNWSXQWIMSAFME-GFCCVEGCSA-N 307.394 2.345 0 50 DEAA Cc1cc(C)c(C(=O)Nc2ccc(Cn3cncn3)cc2)c(O)n1 252509015 YBCZHGMEDQTECM-UHFFFAOYSA-N 323.356 2.296 0 50 DEAA CNc1ncccc1COC(=O)CN(C)C(=O)OC(C)(C)C 299754577 SREJHHORJXVQGX-UHFFFAOYSA-N 309.366 2.033 0 50 DEAA in-vitro O=C(CCCn1cccn1)NC[C@H]1CCCN2CCCC[C@H]12 253396885 BHQWQTOOBSZEJI-HZPDHXFCSA-N 304.438 2.044 0 50 DEAA biogenic O=C(O)CCCCNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 262479155 ZFPQUBWQCAHYDM-HNNXBMFYSA-N 321.373 2.229 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2[C@H]3c4ccc(Cl)cc4C[C@H]32)C1 630155876 JNGMUFWPCVLZAB-ULTHFGNCSA-N 305.761 2.159 0 50 DEAA CN(C)C(=O)Cn1ccc2ccc(NC(=O)C3(F)CC3)cc21 1875266533 WJVHMEDLIADIHB-UHFFFAOYSA-N 303.337 2.170 0 50 DEAA C/C=C/c1cn([C@H]2CN(C(=O)C[C@H](C)SC)C[C@H]2C)nn1 1875323425 IHUXGPYOHFXIEU-YCZHAMCGSA-N 308.451 2.472 0 50 DEAA COc1cc([C@H](C)O)cc(OC)c1OC[C@@H]1C[N@]1CC1CC1 1875381382 SSUBFOHXSVDUAN-MIUNTBIASA-N 307.390 2.230 0 50 DEAA O=C([C@H]1C[C@@H](n2cnnc2)C1)N1C[C@@H]2CC[C@]2(C(F)(F)F)C1 1875405512 HYOHFMUTHYLDAI-KQXIARHKSA-N 314.311 2.030 0 50 DEAA CC(C)c1cc(NCc2cn(C(C)C)c(=O)nc2O)ncn1 952994401 TUACQZGNGZYSGA-UHFFFAOYSA-N 303.366 2.055 0 50 DEAA CC(=O)c1c(C)nn(CC(=O)NCCSC(F)(F)F)c1C 952971630 OQTYHLIRSYEYSZ-UHFFFAOYSA-N 323.340 2.072 0 50 DEAA COc1ccc(NC(=O)c2ccn(C)c2C)cc1C(=O)N(C)C 952986933 LSJCYUCTWWDQCK-UHFFFAOYSA-N 315.373 2.296 0 50 DEAA CCCN1C[C@H](NC(=O)NCc2ccc3occc3c2)CC1=O 888101515 FMASNCODUBMVKS-CQSZACIVSA-N 315.373 2.243 0 50 DEAA Cn1ncc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)c1C1CC1 1347569943 UMWYAWJHTKRIAG-UHFFFAOYSA-N 308.345 2.335 0 50 DEAA O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)CCc1nccs1 273845559 MROYOKXRRXFQND-STQMWFEESA-N 322.430 2.062 0 50 DEAA CNC(=O)[C@@H]1CCC[C@H]1Nc1ncnc(-c2cccc(F)c2)n1 585092509 BEUIQZNCNDOBHD-CHWSQXEVSA-N 315.352 2.004 0 50 DEAA O=C(c1ccn(-c2ccccc2F)n1)N1CCC12CCOCC2 170088443 VDJASOQYMIJWTB-UHFFFAOYSA-N 315.348 2.407 0 50 DEAA Cc1ccc(S(=O)(=O)Nc2ncccc2F)c(Cl)n1 170609283 MUXKJJHPCZRJGJ-UHFFFAOYSA-N 301.730 2.378 0 50 DEAA C[C@@H](Cc1ccc(Br)cc1)N[C@]1(CO)CCOC1 188405672 CPQFJVKAAJYDRP-FZMZJTMJSA-N 314.223 2.121 0 50 DEAA Cn1cc(CCC(=O)N2CCOc3c2ccc(F)c3F)cn1 408521735 RGUCSZVKPLXSAG-UHFFFAOYSA-N 307.300 2.057 0 50 DEAA C[S@](=O)c1cccc(NC(=O)C2(C(=O)O)CC3(CCC3)C2)c1 595244382 KDFCXZKEUOALLM-QFIPXVFZSA-N 321.398 2.398 0 50 DEAA Cc1nc(Cn2cnnc2[C@@H](O)c2ccccc2)sc1C 195175008 KAOZGYDFIRAZHJ-AWEZNQCLSA-N 300.387 2.481 0 50 DEAA CO[C@H]1CN(C(=O)c2scnc2C)C[C@H]1Cc1cc(C)no1 1529101551 HNFKLPQVHTYFRR-YPMHNXCESA-N 321.402 2.078 0 50 DEAA Cc1nonc1CNC(=O)N[C@@H](C)c1cc(F)ccc1N(C)C 1615553571 MDNGSVBCLQEUQK-VIFPVBQESA-N 321.356 2.144 0 50 DEAA NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 13130330 XLCOHSMNEDFNFV-RCOVLWMOSA-N 300.240 2.235 0 50 DEAA CCN(c1ccc(C(=O)Nc2cccnc2)cc1)S(C)(=O)=O 16661346 WOPRYVFLTVCVFP-UHFFFAOYSA-N 319.386 2.120 0 50 DEAA C[C@@H]1CC(=O)NC[C@H]1C(=O)NCc1ccccc1C(F)(F)F 1857527422 HVHOSGUTDGEDRL-MWLCHTKSSA-N 314.307 2.094 0 50 DEAA CCc1cc2c(N[C@@H](CO)c3ccnn3C)nc(C)nc2s1 641629020 AIQTYJBYWPFOAX-LBPRGKRZSA-N 317.418 2.441 0 50 DEAA CCc1cc(C)c(C(=O)N2CCO[C@@H](c3nnc(C)o3)C2)o1 328611438 LPCOFXUESHTHBS-GFCCVEGCSA-N 305.334 2.056 0 50 DEAA C1CC[C@H](CCc2nc([C@H]3CN4CCCC[C@H]4CO3)no2)OC1 329734739 RPIIKMUMOGTQEJ-RRFJBIMHSA-N 321.421 2.497 0 50 DEAA O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCn2ncnc2C1 329998829 SYSIFSSQGGBGRF-NEPJUHHUSA-N 302.765 2.077 0 50 DEAA CCc1ccc(-n2nnc(C(=O)NC[C@@H]3CCCO3)c2C)cc1 11690163 WTYSAMZUFZMAFF-HNNXBMFYSA-N 314.389 2.047 0 50 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O=C(c1cccc(-c2ncccn2)c1)N1CCCN2CCC[C@H]2C1 299799979 YCKAPFILJDHOHF-KRWDZBQOSA-N 322.412 2.454 0 50 DEAA Cn1c(N2CC[C@@H](N3CC(C)(C)C3=O)C2)nc2ccc(F)cc21 1875376155 NLVQREQNSRFXCV-GFCCVEGCSA-N 316.380 2.160 0 50 DEAA O=C(N[C@H]1CCc2ccccc21)[C@H](O)CNCC1CCCCC1 1875308456 GYFSDPOQNORYMO-ZWKOTPCHSA-N 316.445 2.321 0 50 DEAA C=CC(=O)N(C)CC(=O)N[C@H](C)[C@@H]1CCCc2ccccc21 1875366267 HQGFWZSUYLGVNP-HIFRSBDPSA-N 300.402 2.256 0 50 DEAA Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2nc[nH]n2)c(F)c1Cl 952888496 JGZCGPPCESHIOR-JOYOIKCWSA-N 324.743 2.166 0 50 DEAA OC[C@@H]1CCC2(CCOCC2)CN1c1cc(C(F)F)ncn1 1875287902 FOJBBFJBVDIRIA-NSHDSACASA-N 313.348 2.172 0 50 DEAA Cc1ncc(CCNC(=O)c2ncc(OCC3CC3)cc2F)o1 1875296884 SXMLLMMLNPKUPZ-UHFFFAOYSA-N 319.336 2.278 0 50 DEAA C[C@@H](NCc1ccc(N(C)C)nc1)c1nc(-c2ccncc2)no1 952982702 RDBQMPKTFHLWTA-GFCCVEGCSA-N 324.388 2.443 0 50 DEAA CCCN1C[C@H](NCc2ccc3cccc(F)c3n2)CC1=O 952972502 PTASDDHYMNLCIQ-CQSZACIVSA-N 301.365 2.474 0 50 DEAA Cn1ccnc1[C@@H]1[C@@H](C(=O)O)CCC(=O)N1C[C@H]1CC=CCC1 886093458 UTXIVVLEZGXGJD-YDHLFZDLSA-N 317.389 2.141 0 50 DEAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc3[nH]ccc3c2)C1 888077793 VENYYDPYEGBADE-UKRRQHHQSA-N 310.357 2.493 0 50 DEAA CCc1noc(COc2cccc3[nH]c(C(=O)OC)cc23)n1 1775985627 WMABJKXLXMDNEW-UHFFFAOYSA-N 301.302 2.479 0 50 DEAA Cc1cc(F)cc(S(=O)(=O)N[C@@]2(C)CCO[C@H]2C2CC2)c1 273098592 OFUFDKWSFCWRQY-GJZGRUSLSA-N 313.394 2.370 0 50 DEAA O=C(CCN1C[C@H](C(=O)O)[C@@H](C2CC2)C1)NC1CCCCCC1 1565509402 BTSPJCXWMSORLF-CVEARBPZSA-N 322.449 2.258 0 50 DEAA Cc1cnc(C)c(N2CCN(C(=O)c3cc(C)oc3C)CC2)n1 273918972 ZEXDPCSFDCMROP-UHFFFAOYSA-N 314.389 2.266 0 50 DEAA C[C@@H]1COCCN1C(=O)Cc1ccc(F)cc1Br 275102646 LVLZSDFCHRTWHN-SECBINFHSA-N 316.170 2.378 0 50 DEAA O[C@@]1(C(F)(F)F)CCN(c2nnc(-c3ccccn3)s2)C1 185729084 LEZSIACRCZBMQL-NSHDSACASA-N 316.308 2.104 0 50 DEAA O=C(O)Cc1csc(NC(=O)Cn2ccc3ccccc32)n1 170043336 WFRKHEZAZOAHKJ-UHFFFAOYSA-N 315.354 2.364 0 50 DEAA C[C@@H]1CCC[C@@H](C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)C1 225325682 YEGIJSYXRSKJSR-YRGRVCCFSA-N 324.446 2.338 0 50 DEAA C[C@@]1(c2ccccc2)CC(=O)N(C[C@H](O)CC(F)(F)F)C1=O 189423438 DNNWGZRKQKBNEK-RISCZKNCSA-N 315.291 2.017 0 50 DEAA Cc1ccccc1OCC(=O)NCc1ncn(-c2ccccc2)n1 647524650 WLHXCHXJUHUEOB-UHFFFAOYSA-N 322.368 2.271 0 50 DEAA O=C(NCc1nc2cccnc2[nH]1)[C@H]1C[C@@]12CCc1ccccc12 194245019 ZEGYKGNJJOMZOX-AUUYWEPGSA-N 318.380 2.478 0 50 DEAA C[C@](NC(=O)Cc1cc(C2CC2)no1)(C(=O)O)c1ccccc1 663141976 RKGIJSLWTDOMKY-QGZVFWFLSA-N 314.341 2.211 0 50 DEAA O=C(O)[C@H]1CCN(C(=O)[C@H]2CC23CCOCC3)c2ccccc21 669434647 IGYKGBWVKPDXOK-UONOGXRCSA-N 315.369 2.408 0 50 DEAA CC(C)(C)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(Cl)o1 585124856 VXQHKXLNGJXFGN-SNVBAGLBSA-N 319.810 2.218 0 50 DEAA CC1=NNC(=O)[C@@H]1Sc1ncnc2sc3c(c12)CCC3 585118749 AMAYATBHUGQUNV-SNVBAGLBSA-N 304.400 2.146 0 50 DEAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccc(F)cc3F)CCN12 1529142507 PMKRVNQTVGGTBS-UONOGXRCSA-N 324.371 2.290 0 50 DEAA CCCN(CC(=O)O)S(=O)(=O)c1cc(C)ccc1Cl 262433284 ORSORODIHZDMJW-UHFFFAOYSA-N 305.783 2.134 0 50 DEAA CN(C)c1nccc(CN2CCCSC[C@@H]2C(F)(F)F)n1 1615054909 CHTDPOIENPPPOV-LLVKDONJSA-N 320.384 2.412 0 50 DEAA c1ccc([C@@H]2COC[C@@H]3CN(Cc4ccncc4)CCN32)cc1 1615738008 ZLTTZLHIUZREPG-OALUTQOASA-N 309.413 2.339 0 50 DEAA Cc1cc(O)nc2ccc(S(=O)(=O)N3C[C@@H]4C[C@@]4(C)C3)cc12 1772804645 RNROECCZAPHTAA-ZBEGNZNMSA-N 318.398 2.279 0 50 DEAA O=C(CCCc1ccc(F)cc1)N1C[C@@H]2COCC[C@]2(CO)C1 1772710451 QZCHOVCZTGZSRB-CRAIPNDOSA-N 321.392 2.006 0 50 DEAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C4(O)CC4)C3)n[nH]2)o1 1772805589 PXEOXULHMAKTMN-LBPRGKRZSA-N 315.373 2.355 0 50 DEAA O=C1N(CCC2CCCCC2)CCC[C@]1(O)CNC1CCC1 11720477 QBFNJHHWUZDRTR-SFHVURJKSA-N 308.466 2.452 0 50 DEAA COc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc(OC)c1OC 12383301 LWJFYIBLFGZSEY-PWSUYJOCSA-N 309.362 2.010 0 50 DEAA CSCC(=O)N1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 12386957 SVDBFRDYNRJHDN-GFCCVEGCSA-N 324.421 2.157 0 50 DEAA Cn1c(SCCC(=O)O)nc2sc3c(c2c1=O)CCC3 16623418 VVHUJTCLRVWNGB-UHFFFAOYSA-N 310.400 2.051 0 50 DEAA Oc1ccc2c(c1)CN([C@@H]1CCOC3(CCNCC3)C1)CC2 1857666751 NYXBIDMHGQVOOM-MRXNPFEDSA-N 302.418 2.052 0 50 DEAA Cc1c(C(=O)N2CCO[C@@H](c3cccnc3)C2)nc2ccccn12 1857672791 HFXQOEDCKQDTGE-OAHLLOKOSA-N 322.368 2.251 0 50 DEAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3cc[nH]c3C)C[C@H]12 1857707873 NTXDCRBHLVLIBZ-MZGVZZPPSA-N 316.401 2.397 0 50 DEAA Cc1sc2ccccc2c1C(=O)NCc1n[nH]c(=N)s1 1857738169 URZABNDYBLSERM-UHFFFAOYSA-N 304.400 2.404 0 50 DEAA CC[C@]1(C)COCCN1C(=O)c1cc2ccccc2c(=O)o1 407958156 QQSGMWMSDGZCFG-QGZVFWFLSA-N 301.342 2.434 0 50 DEAA O=C(O)[C@@]12COc3ccccc3[C@@H]1CN(Cc1cccnc1)C2 247367516 GFUFOBYQHMMPEQ-YJBOKZPZSA-N 310.353 2.144 0 50 DEAA C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc2nc3n(c2c1)CCC3 370474219 XMZNFRMFWVZBID-MLGOLLRUSA-N 324.428 2.195 0 50 DEAA Cc1nc(CN2CCOc3ccccc3[C@H]2C(=O)O)oc1C 903927621 KKPUUVILVYUSIE-HNNXBMFYSA-N 302.330 2.312 0 50 DEAA CC(C)c1nc([C@H]2CN(C(=O)CC(C)(C)O)C[C@@H]2C2CC2)n[nH]1 827977123 YGLIKLDANAFAED-OLZOCXBDSA-N 320.437 2.041 0 50 DEAA CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)O[C@H](CC(=O)O)C1 1857780344 RJIQKOQBLJSVKI-SFYZADRCSA-N 313.272 2.028 0 50 DEAA CC(C)c1nc(NC(=O)c2ncccc2Br)n(C)n1 253430223 XVPVRWQCOVHHAA-UHFFFAOYSA-N 324.182 2.348 0 50 DEAA O=C(NC[C@]1(O)CCCNC1)Nc1cc(Cl)ccc1Cl 299797693 ONFWSWXWGWTXJU-ZDUSSCGKSA-N 318.204 2.229 0 50 DEAA Cn1ccnc1-c1ccc(N2CCc3ccccc3CC2)nn1 2100543520 TURCLLXMGITCLL-UHFFFAOYSA-N 305.385 2.482 0 50 DEAA NC(=O)C[C@H]1CCC[C@@H](NCc2cccc3c2OCCCO3)C1 2325812299 BFEZEFYPGGUOAO-DZGCQCFKSA-N 318.417 2.372 0 50 DEAA Cc1ccc2sc(CNC(=O)c3ccnc(CN)c3)nc2c1 2325857077 OHJFYVPGJSXNIZ-UHFFFAOYSA-N 312.398 2.388 0 50 DEAA Cn1c(=O)c(Cn2ccc(C(C)(C)C)nc2=O)cc2ccccc21 902418814 OHMAYYYZNXLLLK-UHFFFAOYSA-N 323.396 2.441 0 50 DEAA CC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c1 267695 WJVAICJNWQKRBP-UHFFFAOYSA-N 319.338 2.388 0 50 DEAA COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 470698 XAMPQQKBFSCXRZ-UHFFFAOYSA-N 321.354 2.039 0 50 DEAA COc1ccnc(C(=O)N2CCC3(C=C(C)CCO3)CC2)c1 2356153862 XYVBYZGWRRFDMS-UHFFFAOYSA-N 302.374 2.432 0 50 DEAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(F)cc1 4030758 YHEFVDPGKMAJCK-UHFFFAOYSA-N 308.334 2.034 0 50 DEAA CCOc1ccccc1NC(=O)CC(=O)N1C[C@H]2CC[C@H]1C2 101913574 IOBMGVNSLDRZHJ-STQMWFEESA-N 302.374 2.425 0 50 DEAA CCC1(CO)CCN(C(=O)Cc2sc(S)nc2C)CC1 134595666 QKOCHLCGHWBXGM-UHFFFAOYSA-N 314.476 2.294 0 50 DEAA CCOC(=O)C(=CNc1ccc(F)c(F)c1O)C(=O)OCC 100352714 LWFLJWNPMIQDQZ-UHFFFAOYSA-N 315.272 2.092 0 50 DEAA COCc1cc(CNc2cc(C)nc(N3CCCCC3)n2)n[nH]1 67872682 CILYIUAYBAOSPC-UHFFFAOYSA-N 316.409 2.257 0 50 DEAA CN(Cc1cnccn1)C(=O)Nc1nnc(C(F)(F)F)s1 23145834 LLCVJARSXSHOTG-UHFFFAOYSA-N 318.284 2.011 0 50 DEAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)Cc1ccccc1F 328622249 IIVFOMBMUFYFTL-CYBMUJFWSA-N 301.365 2.286 0 50 DEAA CC(C)c1nc(N(C)C)nc(N2C[C@@]3(CCCO3)[C@H]2C2CC2)n1 328778885 TZRSASIAJCFWIP-DYVFJYSZSA-N 317.437 2.209 0 50 DEAA CC(C)c1noc(-c2ccc(N3CCC[C@@H](CO)C3)nc2)n1 39445144 CZVYPGXNSVUHSL-GFCCVEGCSA-N 302.378 2.464 0 50 DEAA O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 253396348 NVEPRKAKPAWWJJ-KFWWJZLASA-N 309.793 2.342 0 50 DEAA Cc1nn(C(C)C)cc1CN1CCCN(c2cccnn2)CC1 253429239 CFYUYPSNUILMRP-UHFFFAOYSA-N 314.437 2.275 0 50 DEAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cnc(SC)nc1 77354692 CKXWVFKUNGZMJV-LBPRGKRZSA-N 323.418 2.146 0 50 DEAA CC(C)(C)OCc1ccccc1C(=O)N[C@H]1CCCNC1=O 358407763 RAPIALAHHZJCTR-AWEZNQCLSA-N 304.390 2.010 0 50 DEAA COc1cc(C)nc(N2CCC[C@@H](c3nncn3C(C)C)C2)n1 605398237 CMWUWTZYTLDPAK-CYBMUJFWSA-N 316.409 2.350 0 50 DEAA OCCN1CC[C@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 72158394 RCRIYLJPMMCMBJ-HNNXBMFYSA-N 324.415 2.491 0 50 DEAA O=C(NC[C@@H]1CCCCO1)C1CCN(Cc2ccco2)CC1 216392170 CVPAMTRPGVBZSO-HNNXBMFYSA-N 306.406 2.177 0 50 DEAA COc1cnc(N2CCCN(Cc3ccc(F)cc3)CC2)nc1 77487041 YYJAKGLRYHHRGH-UHFFFAOYSA-N 316.380 2.337 0 50 DEAA CCCO[C@H]1CCCN(c2nc(CC)nc3c2cnn3C)C1 72161067 KUHFYDMJHLMXBL-LBPRGKRZSA-N 303.410 2.321 0 50 DEAA COc1cccc([C@H]2C[C@@H]2C(=O)N2CCC(C(=O)O)CC2)c1 237327416 FHCVQKTZKMNPLK-CABCVRRESA-N 303.358 2.122 0 50 DEAA NC(=O)c1noc(CN2CCCC[C@H]2CCc2ccccc2)n1 72132127 NYLPEUPLARRJOU-AWEZNQCLSA-N 314.389 2.156 0 50 DEAA COC[C@H](O)CN1CCC(c2cccc3cnccc23)CC1 366827352 MWSWNNPHKFYRAU-MRXNPFEDSA-N 300.402 2.422 0 50 DEAA CN(Cc1cccc2cnccc12)C(=O)c1cccc(CO)n1 77341807 IGTRQIMMPFBJSF-UHFFFAOYSA-N 307.353 2.394 0 50 DEAA CN1CCC(CC(=O)N2CC[C@@]3(C2)OCc2ccccc23)CC1 368169339 XUTGXAHDMQIHIE-IBGZPJMESA-N 314.429 2.376 0 50 DEAA CC(C)n1cc([C@]2(O)CCN(C(=O)C=C3CCCCC3)C2)nn1 284585156 KDNPPYYWHMQFKU-KRWDZBQOSA-N 318.421 2.169 0 50 DEAA CCOC(=O)c1cccnc1N[C@H]1CCO[C@@]2(CCOC2)C1 375170540 GZVJASFINZWKRT-LRDDRELGSA-N 306.362 2.008 0 50 DEAA COc1ccc(Cn2cc(NC(=O)NCC(F)F)cn2)cc1 240412634 FNMMMKBYJILWAB-UHFFFAOYSA-N 310.304 2.327 0 50 DEAA Cn1ccnc1[C@H]1CCCN(Cc2cn(-c3ccccc3)nn2)C1 215602336 AEDLITPXHFPJFD-HNNXBMFYSA-N 322.416 2.380 0 50 DEAA Cc1ncncc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 82315372 HKXAHEMHYVQFLQ-VMPITWQZSA-N 322.412 2.256 0 50 DEAA CNC1CCN(C(=O)c2cnn(-c3ccccc3C)c2C)CC1 179134693 OQSBIUDQRPKROS-UHFFFAOYSA-N 312.417 2.313 0 50 DEAA Cc1oc(C(=O)O)cc1S(=O)(=O)N1CCc2ccccc2C1 237666761 TUHKIOSEAHXWID-UHFFFAOYSA-N 321.354 2.033 0 50 DEAA Cc1cc(C(=O)N2C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C2)c(C)o1 91829512 PFFHWKCWROGGPS-LSDHHAIUSA-N 321.421 2.264 0 50 DEAA O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCCN(C2CC2)CC1 179763959 LMJKNQDYRZWJGY-MRXNPFEDSA-N 322.836 2.460 0 50 DEAA COc1ccc([C@@H](CC(=O)N2CC(O)C2)c2ccccc2)cc1 95530790 VWIBOHKSXIXYNH-SFHVURJKSA-N 311.381 2.420 0 50 DEAA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CO)CC2)C1 91817601 NNWYRPRJNXFOBY-KRWDZBQOSA-N 316.445 2.097 0 50 DEAA Cc1nc2ccc(CC(=O)N(C)C[C@H]3CCCCO3)cc2[nH]1 426597239 OHAXCUIQGYMEGJ-CQSZACIVSA-N 301.390 2.441 0 50 DEAA CC[C@@H](C(=O)NCCc1noc(C2CCCC2)n1)n1cccn1 91526903 WFPAJLIYVLESED-ZDUSSCGKSA-N 317.393 2.234 0 50 DEAA O=C(c1ccc2ncccc2c1)N1CCC[C@@H](c2nnc(O)o2)C1 339202784 ZZQNDGXAVIMPAW-CYBMUJFWSA-N 324.340 2.343 0 50 DEAA CC[C@@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1ccnn1C 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0 50 DEAA CC(C)[C@]1(C(=O)O)C[C@@H]1C(=O)NCc1c(C2CCC2)cnn1C 899791939 KILGWOJNKWATJT-CXAGYDPISA-N 319.405 2.051 0 50 DEAA C[C@]1(C(=O)N2CCc3cc(F)c(C(=O)O)cc3C2)CCCOC1 1775998208 BJMZQTOIFSKFKI-KRWDZBQOSA-N 321.348 2.225 0 50 DEAA O=C1CC(C2CCOCC2)=NN1c1cncc(Br)c1 899353077 IDMOTZFFAPQINS-UHFFFAOYSA-N 324.178 2.363 0 50 DEAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)C[C@@H]2C=CCC2)cn1 275330522 FPGBBLXTIWFZPY-HACGYAERSA-N 302.374 2.393 0 50 DEAA CC1=C(C(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)CCCO1 275437296 SBTZSRCPZGKZHD-CYBMUJFWSA-N 321.377 2.177 0 50 DEAA Cc1nnc([C@H]2COCCN2C(=O)c2ccc3cc[nH]c3c2)o1 275521200 YAKCRWXFEQJFDK-CQSZACIVSA-N 312.329 2.073 0 50 DEAA CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccn(-c2ccncc2)n1 277371782 HPKJXWOMKMKPED-HIFRSBDPSA-N 300.362 2.267 0 50 DEAA C[C@H]1CN(C(=O)CN2CCCC2=O)c2cccc(Cl)c2O1 170608944 BLAMJAHVYNSFJP-JTQLQIEISA-N 308.765 2.076 0 50 DEAA C[C@H]1OC(=O)N[C@@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 170607932 GVFHLBMLAJTNQU-YGRLFVJLSA-N 304.346 2.443 0 50 DEAA CC1(C)COCCN1CCNc1ncnc2ccc(F)cc12 170869395 CDVIVHKEDVPSSR-UHFFFAOYSA-N 304.369 2.292 0 50 DEAA CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)CSC(C)(C)C 408514413 JXNSHTBXIKFCJL-CYBMUJFWSA-N 324.446 2.204 0 50 DEAA CC(C)c1nnc(CN2CCc3ccccc3[C@H]2C(=O)O)n1C 583818175 PSDKMMBCQKBXLR-HNNXBMFYSA-N 314.389 2.123 0 50 DEAA CCC1(CNS(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 585115738 QJJJGIZRMVRXAZ-IBGZPJMESA-N 316.448 2.168 0 50 DEAA CCN(C(=O)[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 585126015 LHRLZQMCYSCPKU-MRXNPFEDSA-N 304.390 2.055 0 50 DEAA COc1nc(C)cc(N2CCC[C@@H](c3nnc4ccccn34)C2)n1 680619937 FMQGWSKSPAKGIU-CYBMUJFWSA-N 324.388 2.220 0 50 DEAA C[C@@H]1CN(C(=O)c2ccnc(-c3ncc[nH]3)c2)C[C@H](C2CC2)O1 646123927 QOMXDBTXLAMPIS-IAQYHMDHSA-N 312.373 2.111 0 50 DEAA CCN1CN(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)CC1=O 195580025 DRZJWZRFZRLBQL-SNVBAGLBSA-N 324.450 2.333 0 50 DEAA CCc1cc(CN(C)C(=O)/C=C/c2cc(CO)cs2)on1 1506417237 HITBCPQXWOLEQY-SNAWJCMRSA-N 306.387 2.463 0 50 DEAA Cc1nc(C)c(C(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)o1 1506427100 WULDPOHJWRGNLQ-INIZCTEOSA-N 313.401 2.420 0 50 DEAA C[C@]1(O)CCN(C(=O)Cc2ccccn2)C[C@H]1Cc1ccccc1 211209766 UWGSFINNIZLQBL-XLIONFOSSA-N 324.424 2.466 0 50 DEAA CC(C)n1nnnc1SC[C@@]1(c2ccccc2)COCCO1 1615587485 DRVHGFJZIUDXQO-OAHLLOKOSA-N 320.418 2.288 0 50 DEAA C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1cc(=O)n(C)cn1 1615552320 NEGQFPIAFMHOTK-SECBINFHSA-N 303.749 2.025 0 50 DEAA Cc1nsnc1C(=O)NCCc1nc2ccccc2s1 1775981282 CKBZTWNECGIRFS-UHFFFAOYSA-N 304.400 2.429 0 50 DEAA CCOc1ccc(OCCN(C)C[C@@H]2CCC(=O)N(C)C2)cc1 1775978724 HMPCPZNEPUGNNI-HNNXBMFYSA-N 320.433 2.264 0 50 DEAA O=C1C[C@H](NC2CCSCC2)CN1CCc1ccccc1 12209701 HNPSRXPFAZGPSS-INIZCTEOSA-N 304.459 2.315 0 50 DEAA CCNC(=O)c1sc2ncnc(NCCCOC)c2c1C 14964178 DKWQUINWLUPVEW-UHFFFAOYSA-N 308.407 2.198 0 50 DEAA COC(=O)[C@@H](CNC(=O)c1csnc1C)c1ccccc1 225569397 FVXNGVVQKGQPCU-LBPRGKRZSA-N 304.371 2.138 0 50 DEAA CN(CCc1ccc(Cl)cc1)C(=O)[C@H]1C[C@H]1c1nc[nH]n1 328587145 VPGVCENWEMAAPR-OLZOCXBDSA-N 304.781 2.263 0 50 DEAA COc1cccc(C2(NC(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)c1 122232896 NKFWTMOEPIPHOD-CQSZACIVSA-N 316.401 2.059 0 50 DEAA O=C(O)c1csc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)n1 124226889 JJYVHJIAIFPIPU-MNOVXSKESA-N 302.355 2.261 0 50 DEAA CN1CC[C@H](C(=O)NCc2c(Cl)cccc2Cl)CC1=O 642036427 FPPWTVZZTYTHKR-VIFPVBQESA-N 315.200 2.478 0 50 DEAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1c(C)nn(C)c1C 248068363 WQIDVJQHZUIBOA-LSDHHAIUSA-N 304.438 2.126 0 50 DEAA CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC[C@H]1Cc2ccccc2O1 253369439 CRPFGXWEVGYYSS-XHSDSOJGSA-N 318.417 2.183 0 50 DEAA Cc1noc(C)c1CC(=O)N[C@@H](C(=O)O)c1ccc(Cl)cc1 263129866 GMXOVBVPYOVGMS-CQSZACIVSA-N 322.748 2.429 0 50 DEAA Cc1nc([C@@H]2CCN(Cc3cc(C(=O)O)sc3C)C2)no1 903627369 NWKKVGHAJJSRDB-SNVBAGLBSA-N 307.375 2.436 0 50 DEAA OC[C@H]1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)C[C@H]1O 1141734769 HKVHGBODDPAOKK-OXQOHEQNSA-N 309.409 2.433 0 50 DEAA Cc1cnc(-c2ccccc2NC(=O)c2cc(C(N)=O)co2)[nH]1 2325744892 NCTLRULTXWYPMC-UHFFFAOYSA-N 310.313 2.329 0 50 DEAA Cc1ccn(-c2ccc(C(=O)N[C@H](C)Cc3cnc[nH]3)cc2)n1 2325857809 QFHCKCXAJJGIJU-CYBMUJFWSA-N 309.373 2.265 0 50 DEAA CCn1cc(Br)c(C(=O)Nc2nccs2)n1 355116 XQUSMIRACLWMLP-UHFFFAOYSA-N 301.169 2.374 0 50 DEAA Cc1ccnc(NC(=O)CCn2cc(Br)cn2)c1 1012141 PHTMBZOLABEDFD-UHFFFAOYSA-N 309.167 2.378 0 50 DEAA C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COCc2ccc3c(c2)OCO3)C1 6556196 MYTGYLYFMWBPSL-IIAWOOMASA-N 321.417 2.271 0 50 DEAA COc1ccc(OC)c(NC(=O)CSc2nnc(C)o2)c1 6697802 OAGJNZYNPPLXDK-UHFFFAOYSA-N 309.347 2.126 0 50 DEAA CCc1n[nH]c(SCC(=O)N2CCn3cccc3[C@@H]2CC)n1 55402530 RACOJHJGGLJJGG-NSHDSACASA-N 319.434 2.254 0 50 DEAA C[C@@H]1CN(C(=O)c2ccccc2OC[C@H]2CCCO2)C[C@@H](C)N1 247326169 UFDXKNONPOOIQL-RBSFLKMASA-N 318.417 2.067 0 50 DEAA O=C(NCCc1ccc(F)cc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 103985555 OECIMCWMCSINEQ-NZBPQXDJSA-N 305.349 2.231 0 50 DEAA O=C(c1cccc(Oc2ccncc2)c1)N1C[C@@H](F)C[C@H]1CO 347405212 IDBBOZGYHVQFGS-KBPBESRZSA-N 316.332 2.419 0 50 DEAA OCC1CCN(CCNc2ncccc2C(F)(F)F)CC1 68764486 ADHHUJYNYKOLNR-UHFFFAOYSA-N 303.328 2.217 0 50 DEAA Cc1cc(C)n2ncc(CN(C)Cc3nncn3C(C)C)c2n1 67787018 AIGGLOOSIBXHLC-UHFFFAOYSA-N 313.409 2.151 0 50 DEAA CN1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC1 65229863 RDWKLHNHJNUBAS-UHFFFAOYSA-N 320.396 2.389 0 50 DEAA CSCC[C@H](N)C(=O)Nc1nnc(SC(C)C)s1 1506403341 NXJWRYIOVYJONT-ZETCQYMHSA-N 306.482 2.058 0 50 DEAA CNc1ncc(CN(C)C(=O)c2cc(-c3ccccc3)on2)cn1 65433273 FRQWGORKISKRHN-UHFFFAOYSA-N 323.356 2.446 0 50 DEAA Cc1cc(F)cc(C)c1S(=O)(=O)N(CCC(=O)O)C1CC1 229334094 UCQQWYWXUBTWQN-UHFFFAOYSA-N 315.366 2.070 0 50 DEAA CCc1ncc(C(=O)NC[C@@H](c2sccc2C)N(C)C)cn1 65404876 UWMKPNNBISIYKP-ZDUSSCGKSA-N 318.446 2.442 0 50 DEAA Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)c1cncn1C 425584040 NUUDXEQQXPWZJN-JTQLQIEISA-N 313.283 2.079 0 50 DEAA O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1CCCO1 120977359 ZUXKTKNUNYQHJF-HNNXBMFYSA-N 308.447 2.255 0 50 DEAA Cc1ccc(OCCCN2CC[C@](C)(NCC(=O)O)C2)cc1C 328604705 KYNSZOXMMFPUET-SFHVURJKSA-N 320.433 2.211 0 50 DEAA COc1ccc2[nH]c(Cn3cnc4ccccc4c3=O)nc2c1 32597974 KMIQCPLJRLHXTG-UHFFFAOYSA-N 306.325 2.330 0 50 DEAA CCC[C@@H]1C[C@H](C(=O)N2CCCC[C@H]2c2nc(O)n[nH]2)CCO1 329154683 CCFCLAAQIPYKGQ-UPJWGTAASA-N 322.409 2.159 0 50 DEAA CCOC(=O)C(=CNc1cc(OC)ccc1OC)C(=O)OCC 2562124 LAFULEGDASYFDP-UHFFFAOYSA-N 323.345 2.126 0 50 DEAA Cc1cc(=O)c(C(=O)N[C@@H](CCO)C(C)(C)C)cn1C1CC1 283208842 AACJQNNACXNUHO-HNNXBMFYSA-N 306.406 2.019 0 50 DEAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2ccn(C(C)C)n2)n1 331668110 UDERNRGBBFUMGV-RISCZKNCSA-N 305.382 2.117 0 50 DEAA C[C@]1(NC(=O)c2cc(N3CCOCC3)ccn2)CC=CCC1 333791595 XTFRRBPXJNNJNC-KRWDZBQOSA-N 301.390 2.147 0 50 DEAA Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(C)(C)F)cc1 129389527 KQNUMMOQJVTTRL-NSHDSACASA-N 301.383 2.022 0 50 DEAA O=C1C[C@@H](CNC(=O)c2cccc(C(=O)O)c2)c2ccccc2N1 365226271 QFBHGMPIQJBSSC-ZDUSSCGKSA-N 324.336 2.241 0 50 DEAA Cc1nnc(NC(=O)[C@@H]2CCN2Cc2ccccc2)n1C1CC1 367626400 CMJVABAQCRNGQC-HNNXBMFYSA-N 311.389 2.134 0 50 DEAA CSCC[C@H](NC(=O)c1cccc2c1ccn2C)C(=O)O 217803545 CMWIISBOYVAGSC-LBPRGKRZSA-N 306.387 2.114 0 50 DEAA biogenic COc1ccccc1-n1nccc1CN1CC[C@](C)(CN)C1 262013599 VHMPDBXIAKCRND-QGZVFWFLSA-N 300.406 2.052 0 50 DEAA Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CN(C)Cc2ccccc21 372301567 JYUZOAXLIOOBQP-QGZVFWFLSA-N 312.417 2.262 0 50 DEAA C[C@@H](Cn1cncn1)n1ccnc1-c1cc2ccccc2[nH]c1=O 71749619 YDGQKZOJXCLLED-LBPRGKRZSA-N 320.356 2.244 0 50 DEAA CO[C@H]1C[C@@H](CO)N(c2cc(C)nc3c(F)c(F)ccc23)C1 343336195 IHHVSUHUQCVTOQ-QWRGUYRKSA-N 308.328 2.407 0 50 DEAA CCOC(=O)Nc1scnc1C(=O)NCCc1cccnc1 291451475 JSXUVXKWTGMDSN-UHFFFAOYSA-N 320.374 2.079 0 50 DEAA CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3CCC[C@H](C3)C2)cc1 221202836 QTSRUMARZTWOMA-HUUCEWRRSA-N 321.442 2.281 0 50 DEAA COCc1n[nH]c([C@H]2CCCCN2Cc2nc(C)c(C)o2)n1 289176565 SIRWRAHAXAXJKT-GFCCVEGCSA-N 305.382 2.283 0 50 DEAA O=C(NC[C@@H]1CCCO1)Nc1cc(Cl)ccc1-n1cncn1 43530658 FWVNNDDDFMWVJC-NSHDSACASA-N 321.768 2.221 0 50 DEAA CCOC1CCN(c2cc([C@H]3CCOC3)nc(COC)n2)CC1 426566886 LLQSPOXRCXKZCN-ZDUSSCGKSA-N 321.421 2.132 0 50 DEAA O=C(CCc1ccncc1)NC[C@@H](CO)Cc1cccs1 97244186 HFDRTTOHXWTUFA-AWEZNQCLSA-N 304.415 2.043 0 50 DEAA O=C(Nc1ccc(F)nc1)N1CCC[C@@H](Cn2ccnc2)C1 96150360 YOXSMMUQCHLRPR-LBPRGKRZSA-N 303.341 2.361 0 50 DEAA CC(C)Cn1ncnc1CN1CCN(C)C[C@@H]1c1ccccc1 182941244 YOOCYNLZJLRFMR-QGZVFWFLSA-N 313.449 2.423 0 50 DEAA Cc1nc([C@H]2CCCN(Cc3ncc(C)c(O)c3C)C2)no1 253537159 ZXQUNLWTOSQYEQ-ZDUSSCGKSA-N 302.378 2.475 0 50 DEAA Cn1cc(NC(=O)NCCc2cccc(C(F)(F)F)c2)nn1 299769080 MLDNNZNFKDFGFK-UHFFFAOYSA-N 313.283 2.198 0 50 DEAA O=C(CCc1cn[nH]c1)N[C@@H]1CCCN(Cc2cccs2)C1 670448441 JZGRPLJKTZCYTR-CQSZACIVSA-N 318.446 2.185 0 50 DEAA COCC1(CNC(=O)CN(C)Cc2ccc(F)cc2)CCC1 670467172 LBOVAAHLYJZIQE-UHFFFAOYSA-N 308.397 2.190 0 50 DEAA CC(C)n1ccnc1C(=O)N1CC(C)(C)[C@H]1c1nccn1C 1449922925 ZMPIMZUMJPJZBU-GFCCVEGCSA-N 301.394 2.421 0 50 DEAA COC(=O)[C@@]1(O)CCCN(Cc2c(C)cc(Cl)cc2C)C1 1875344422 KJJFSPDHIFPVBQ-MRXNPFEDSA-N 311.809 2.457 0 50 DEAA C/C(=C\CN)C(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 952892674 BNPVNNVYXXYKEJ-NRFRLCCYSA-N 319.474 2.124 0 50 DEAA Cc1ccccc1CNC(=O)Cn1ccnc1C1(O)CCCC1 1875275639 LVFNDDVYBPWCQB-UHFFFAOYSA-N 313.401 2.270 0 50 DEAA O=S(=O)(Nc1ccnn1C1CCC1)c1cnn2ccccc12 1875280029 QMSCQHFOKZPLPJ-UHFFFAOYSA-N 317.374 2.057 0 50 DEAA CCN(Cc1ccncc1)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875290439 FOFIVRCYOCKNEC-NWDGAFQWSA-N 314.389 2.489 0 50 DEAA Cn1cnc2cc(NCc3nnc(C4CC4)s3)ccc2c1=O 1875266890 YKRFHMCVEMKLIX-UHFFFAOYSA-N 313.386 2.275 0 50 DEAA C[C@]1(C2CC2)COCCN1C(=O)c1ccc(-c2cn[nH]c2)cn1 890588659 FJEPCVADQADNLX-QGZVFWFLSA-N 312.373 2.113 0 50 DEAA Cc1nc(CN2CCN(c3cccc([C@@H](C)O)n3)CC2)oc1C 892319316 LFGKBNRJCKWSNV-CYBMUJFWSA-N 316.405 2.062 0 50 DEAA COCC1(NC(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)CCCC1 1565531135 BIVWLAVGOKVASC-WFASDCNBSA-N 322.405 2.073 0 50 DEAA CCCNC(=O)[C@@H]1CCCN(c2nc(C(F)(F)F)ns2)C1 672199207 MSVLMNNTOQXUCQ-MRVPVSSYSA-N 322.356 2.300 0 50 DEAA O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCNCC1 170070340 XIXPCCORWDBCMP-UHFFFAOYSA-N 301.777 2.447 0 50 DEAA 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O=C(NCCNC1CCCCCC1)[C@H]1CSCCS1 170048469 XOZMQNVZTVGLDK-CYBMUJFWSA-N 302.509 2.264 0 50 DEAA CCCNc1ccccc1NC(=O)c1cnc2c(c1)nnn2C 170611304 BWMBRXFPTWMKLG-UHFFFAOYSA-N 310.361 2.438 0 50 DEAA COC(=O)c1c[nH]c(SCc2cnn(C)c2C(F)(F)F)n1 170617986 JGIVBNAILRCQDQ-UHFFFAOYSA-N 320.296 2.241 0 50 DEAA O=S(=O)(CCc1ccc2c(c1)CCO2)Nc1ccc(F)cn1 170609253 IYBBLNHGXOSPQB-UHFFFAOYSA-N 322.361 2.140 0 50 DEAA O=C(NCCCNCc1cccnc1)c1ccnc(Cl)c1 170676306 CVGIUVFSQJFMSJ-UHFFFAOYSA-N 304.781 2.040 0 50 DEAA C[C@H]1CN(C(=O)c2cn(-c3ccccc3Cl)nn2)CCCO1 171257530 AEKZNVLRPIWLPN-NSHDSACASA-N 320.780 2.172 0 50 DEAA C[C@@H]1CCN(C(=O)c2cc(F)c(Cl)cc2F)[C@H](C(N)=O)C1 188611535 PGNFCEGUYAXMDU-KRTXAFLBSA-N 316.735 2.344 0 50 DEAA Cc1n[nH]nc1C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 189109275 SFEDTCJAAVGQKK-NSHDSACASA-N 319.796 2.165 0 50 DEAA C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(-c2ccoc2)[nH]n1 671870964 SLNDKLLVAVVQHR-TZMCWYRMSA-N 314.389 2.369 0 50 DEAA CC(=O)NC1CN(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)C1 189804639 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CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N=c1ccn(C)c(O)n1 892307336 XYKVJCRKFVNBGV-MCIONIFRSA-N 321.421 2.030 0 50 DEAA C[C@H](C(=O)Nc1ccccc1F)N1C(=O)c2ccccc2C1=O 128317 RWKKIINQLDBZPE-SNVBAGLBSA-N 312.300 2.449 0 50 DEAA O=C(CCc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](C(=O)O)CC1 2356167072 HODWPOFYMOZYJL-JOCQHMNTSA-N 319.357 2.108 0 50 DEAA COc1ccc2cc(CN3C[C@@H](OC)C[C@H]3CO)ccc2c1 343993112 WTNITFKCSCMNBV-WMZOPIPTSA-N 301.386 2.430 0 50 DEAA Cc1c(Cl)cccc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 4339157 ATSCTXMVRQNJKL-JTQLQIEISA-N 301.795 2.412 0 50 DEAA CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCCC1 6703864 IMDPWRLMKNIOCY-HNNXBMFYSA-N 324.446 2.048 0 50 DEAA CCCN(Cc1cccc(Cl)c1)C(=O)CCc1n[nH]c(N)n1 55252210 KXDXJVQXOOMHQM-UHFFFAOYSA-N 321.812 2.412 0 50 DEAA CCCCN1C[C@@H](C(=O)NCCc2ccc(F)cc2)CC1=O 8271210 ASTFDBVNSJQGAA-AWEZNQCLSA-N 306.381 2.133 0 50 DEAA COc1ccc(C)cc1N1C[C@H](C(=O)NC(C)(C)C)CC1=O 9341811 TTXUWWNOGPNUTP-GFCCVEGCSA-N 304.390 2.271 0 50 DEAA Cc1ccc(S[C@H](C)C(=O)NCC(=O)N2CCCC2)cc1 54828997 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COC1(CO)CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 252492951 MYDRMPIAWBAHIB-UHFFFAOYSA-N 317.307 2.319 0 50 DEAA O=c1c(Cl)c(Cl)cnn1CN1CCO[C@@H]2CCCC[C@H]21 230118787 VJCWIBYWKPRYEO-GHMZBOCLSA-N 318.204 2.151 0 50 DEAA O=C(NCCCSc1ccccc1)[C@@H]1CC(=O)N(C2CC2)C1 31356732 GUZNDBVBLBFOBL-CYBMUJFWSA-N 318.442 2.296 0 50 DEAA CC(C)n1ncc2c1C[C@H](Nc1ncnc(N)c1Cl)CC2 328587972 KSBCMAGGHUSLTN-SNVBAGLBSA-N 306.801 2.459 0 50 DEAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2ccon2)CC1 328636630 ODVUCNUIHIIFKR-OAHLLOKOSA-N 314.389 2.196 0 50 DEAA CNC(=O)c1ccc(CN(C)C(=O)C2(CC(C)=O)CCC2)cc1 253421064 OPXAROUODXRXMT-UHFFFAOYSA-N 316.401 2.154 0 50 DEAA CCc1nccn1CCCNC(=O)[C@@H](C)n1cc(Cl)cn1 219915975 DUOQRIOLNBHHEU-LLVKDONJSA-N 309.801 2.063 0 50 DEAA Cc1nc([C@H]2CCCN2C[C@H]2CCS(=O)(=O)C2)cs1 253432981 QLYJOYPRDJPZQF-DGCLKSJQSA-N 300.449 2.023 0 50 DEAA CCn1cc([C@H]2OCCC[C@@H]2Nc2nccc(OC)n2)cn1 328622796 IQKGNJOJHYIGGE-GXTWGEPZSA-N 303.366 2.034 0 50 DEAA O=C(c1ccccc1F)N(Cc1cccnc1)C[C@H]1CCNC1 328625497 DFDSXJROAIIXRL-HNNXBMFYSA-N 313.376 2.473 0 50 DEAA Cc1nc2nc(C)c3c(=O)n(CCc4ccccc4)ccc3n2n1 72405070 UDNFSEBGERAKJZ-UHFFFAOYSA-N 319.368 2.299 0 50 DEAA CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCc3n[nH]cc3C2)C12CCC2 328843183 WCVQAFLZBMGCLL-DAXOMENPSA-N 317.433 2.321 0 50 DEAA COc1ccsc1C(=O)N[C@H]1CCO[C@@H](c2cncn2C)C1 331793684 VQLQCGMOACBVTB-GXFFZTMASA-N 321.402 2.140 0 50 DEAA COc1ccc2[nH]nc(NC(=O)COCc3cccnc3)c2c1 486909931 KTVAVDQSIBNDQP-UHFFFAOYSA-N 312.329 2.122 0 50 DEAA COc1ccc(N2CCN(C(=O)c3c(C)coc3C)CC2)nc1 332371418 BDTKIZKTGGUESW-UHFFFAOYSA-N 315.373 2.262 0 50 DEAA CN(C)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 332373618 SPWYCGUHXNJJIK-UHFFFAOYSA-N 300.406 2.048 0 50 DEAA CNC[C@@H]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCO3)C1 237251647 ZLEUOZFFINUBJN-JTQLQIEISA-N 310.781 2.140 0 50 DEAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)C[C@@H]1CCCCO1 262050738 CUQUPLVVZUWUDL-BBRMVZONSA-N 303.358 2.156 0 50 DEAA CC(F)(F)c1ccc(C(=O)NC[C@H]2CCc3nccn3C2)cn1 450843320 KMVCVBMFAVCIKO-LLVKDONJSA-N 320.343 2.382 0 50 DEAA COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CCSC1 341828632 VLCNZLOAXAQFJD-GXTWGEPZSA-N 307.415 2.330 0 50 DEAA Cc1cc2cc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)ccc2o1 219679938 HEIPOTOMAYWEFG-XLNGHYISSA-N 314.385 2.189 0 50 DEAA O=C(CSc1ccncc1)N1CCc2[nH]nc(C3CC3)c2C1 223574279 JUOOXPQTTSOATA-UHFFFAOYSA-N 314.414 2.359 0 50 DEAA COCC1(C(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)CCC1 223159974 RYUQSUHLULNKSN-CABCVRRESA-N 311.422 2.060 0 50 DEAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)CCc1ccccc1 82147977 BWDUZIDFAFHBSY-MRXNPFEDSA-N 302.418 2.479 0 50 DEAA O=C(O)c1cccc(C(=O)N2Cc3ccccc3C3(CC3)C2)n1 263531076 MJPPLGBHWAQLDM-UHFFFAOYSA-N 308.337 2.467 0 50 DEAA O=C(O)c1ccc(C(=O)Nc2nccn2Cc2ccccc2)nc1 617088849 AHVPEFALQSJIQN-UHFFFAOYSA-N 322.324 2.277 0 50 DEAA CCn1c(C)cc(C(=O)N2CCN(c3cccnc3)CC2)c1C 92004085 XUZFLWWBBZJRNV-UHFFFAOYSA-N 312.417 2.482 0 50 DEAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](CO)c2ccccc21 293914779 MPWSVBQZPYVDSS-AWEZNQCLSA-N 313.401 2.092 0 50 DEAA COc1cc2c(cc1CN1CCC[C@@H](N(C)C)CC1)OCO2 97711591 JWWBRPQFIQHCGD-CQSZACIVSA-N 306.406 2.340 0 50 DEAA CC(C)c1occc1C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 294721661 WQKJLXUHWYFFJQ-LBPRGKRZSA-N 313.419 2.300 0 50 DEAA CSCCc1nc(C[C@@H]2CNCCO2)n(C2CCCCC2)n1 96131979 OVYZKAOTXYBKNW-CQSZACIVSA-N 324.494 2.220 0 50 DEAA O=C(O)C1(CN2CCN(Cc3cc4ccccc4[nH]3)CC2)CC1 629378109 ODTIXGRKQSGHLC-UHFFFAOYSA-N 313.401 2.150 0 50 DEAA Cc1oc(CN(C)C(=O)[C@H]2COc3ccccc32)cc1C(=O)O 268944443 VNTJHTBXLKAFRH-AWEZNQCLSA-N 315.325 2.421 0 50 DEAA O=C(O)CN(C(=O)c1cnn(C(F)F)c1)C1CCCCC1 630131866 YLPYKYZDLTXUIW-UHFFFAOYSA-N 301.293 2.138 0 50 DEAA CCc1nc(C)c(CNC(=O)c2ccn(CC)c(=O)c2)s1 299794458 JXXVSJIENRXPIL-UHFFFAOYSA-N 305.403 2.126 0 50 DEAA Cc1n[nH]c(C2CC2)c1C(=O)N[C@@H](c1nccn1C)C(C)C 299758018 JYICPFGWAWUGKI-CYBMUJFWSA-N 301.394 2.456 0 50 DEAA COc1cc([C@H]2CC(=O)Oc3c2oc(C)cc3=O)ccc1O 824596479 WBSXNLPHKUQZKJ-SNVBAGLBSA-N 302.282 2.103 0 50 DEAA biogenic C[C@@H](Cn1cncn1)C(=O)N(C)Cc1ccc2ccccc2n1 584896673 YRNWTJLPCSCEED-ZDUSSCGKSA-N 309.373 2.121 0 50 DEAA C[C@H](NS(=O)(=O)c1cc2ccccc2s1)c1nncn1C 670436170 YDMGPPJGISAOQE-VIFPVBQESA-N 322.415 2.069 0 50 DEAA C[C@H]1CN(S(=O)(=O)c2occc2C(=O)O)Cc2ccccc21 871999784 AUTFDMWTHCASOO-JTQLQIEISA-N 321.354 2.286 0 50 DEAA O=C1CN(Cc2ncoc2C(F)F)[C@H](c2ccccc2)CN1 1875393704 LRIJTSJKMMHCSX-LBPRGKRZSA-N 307.300 2.285 0 50 DEAA Cc1nc2n(n1)C[C@@H](N(C=O)Cc1sccc1Cl)CC2 1875325438 NOSNAWKTPOZHRW-JTQLQIEISA-N 310.810 2.275 0 50 DEAA CC(C)(CCCO)c1noc(-c2ccc(-n3cccn3)nc2)n1 1875321148 WHECULBNDQXYBW-UHFFFAOYSA-N 313.361 2.367 0 50 DEAA Fc1cccc(-c2nc[nH]c(=NCc3ccn4ccnc4c3)n2)c1 1875303449 YGXLOJLOIFIAHD-UHFFFAOYSA-N 320.331 2.359 0 50 DEAA CCS(=O)(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 874433091 DLNMKBNICRDMOQ-CYBMUJFWSA-N 316.492 2.160 0 50 DEAA COc1ncccc1Cc1noc(C2CCN(C3CC3)CC2)n1 952845577 BCLZRLZNTWCDRE-UHFFFAOYSA-N 314.389 2.406 0 50 DEAA O=C(CCCNC(=O)N1CCC(=C(F)F)CC1)NC1CC1 952878124 ABDDRBLPIAWVNI-UHFFFAOYSA-N 301.337 2.001 0 50 DEAA CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnn(C2CCCC2)c1 1875284407 YKHVZWAIBDHNKK-JKSUJKDBSA-N 302.422 2.307 0 50 DEAA COC[C@]1(O)CCCN(C(=O)Cc2ccc(Cl)cc2)CC1 1775998427 CAJGSHVBMTYLNI-INIZCTEOSA-N 311.809 2.273 0 50 DEAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)c1cc[nH]c1C1CC1 1775961043 QPRNFIITJIEUSA-CQSZACIVSA-N 300.314 2.309 0 50 DEAA COc1ccc(CN(C)c2nnnn2C2CCCC2)cc1O 1776000107 LAPGZMRPXIKXQL-UHFFFAOYSA-N 303.366 2.139 0 50 DEAA COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccno2)cc1F 1413373501 JZOPWXKRIBSWQR-SECBINFHSA-N 314.338 2.003 0 50 DEAA Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](C(=O)O)C(C)C)c1 275068646 WDAGJLZBPYRNNA-JTQLQIEISA-N 319.810 2.284 0 50 DEAA Cc1cccc2[nH]cc(CCNC(=O)NC3(CO)CCC3)c12 185960593 MABINMWZRGZIAT-UHFFFAOYSA-N 301.390 2.233 0 50 DEAA CC(C)[C@@H]1OCC[C@H]1C(=O)N[C@@H](CO)c1c(F)cccc1F 277789842 SCJHSDSFGYCAMO-DGFSRKRXSA-N 313.344 2.176 0 50 DEAA NS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1 170874615 PJYFMHSWRGPEJY-AWEZNQCLSA-N 323.418 2.130 0 50 DEAA C[C@H]1CCCN(C(=O)c2cc3c(nc2O)CCC[C@H]3O)CC1 585121911 FWBNJESFSXMTPK-XHDPSFHLSA-N 304.390 2.419 0 50 DEAA CCc1cc(C(=O)NC[C@@H](C)N2CCc3ccccc32)n(C)n1 635253705 QTKAYSCFXDKBOI-CYBMUJFWSA-N 312.417 2.164 0 50 DEAA Cc1nc([C@H](C)N2CCC(Oc3ccncc3C)CC2)n[nH]1 411648842 QMEUVKIUOKXNAG-LBPRGKRZSA-N 301.394 2.421 0 50 DEAA COC(=O)[C@H](C)c1cccc(NC(=O)c2cncc(OC)n2)c1 412549528 NTBWVZZUYUQWOB-SNVBAGLBSA-N 315.329 2.014 0 50 DEAA CC[C@H](C(=O)O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 191438562 DBKSMJFZRNGOEX-IIAWOOMASA-N 312.454 2.061 0 50 DEAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1c(C(N)=O)oc2ccccc12 191855896 QWDJLQZXJAXQRX-UWVGGRQHSA-N 302.330 2.285 0 50 DEAA COc1ccc2oc(CN3CCS(=O)(=O)CC[C@@H]3C)cc2c1 192055237 XMBOCPJVOXKLBX-LBPRGKRZSA-N 323.414 2.450 0 50 DEAA O=C(Nc1cnoc1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 749558917 XNHDUVVMOFEUBN-ZDUSSCGKSA-N 311.341 2.155 0 50 DEAA O=C1C[C@H](c2nc(O)c3c(F)cccc3n2)CN1CC1CC1 675625384 BSWSXOBUGLSDDW-JTQLQIEISA-N 301.321 2.200 0 50 DEAA CO[C@@H]1CCCN(C(=O)CCC(=O)N(C)C2CCCCC2)C1 1506427742 ZTCIHMMKTSHZEY-OAHLLOKOSA-N 310.438 2.195 0 50 DEAA O=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 246247 RYCLZKQOCUAPMF-UHFFFAOYSA-N 303.767 2.213 0 50 DEAA in-vitro COc1cc(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)ccc1F 1800410637 YGAZZLSHTDPWDO-CYBMUJFWSA-N 323.364 2.148 0 50 DEAA Cc1cc(C)c(CNS(=O)(=O)CCOCC(F)F)c(C)c1 1615586700 XJUQZODJYXILHF-UHFFFAOYSA-N 321.389 2.313 0 50 DEAA O=C(Cc1ccsc1)N[C@H]1COC[C@@H]1Cc1ccncc1 1615965115 HVHGHUKHQWMDDE-GJZGRUSLSA-N 302.399 2.060 0 50 DEAA Cc1ccc(C)c(CC(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)c1 1772710266 PXFRVVVFSPPNNP-ZBFHGGJFSA-N 300.402 2.068 0 50 DEAA O=C(NCCN1CCOCC1)c1cc(Cl)cc(Cl)c1 13325995 ORNVZRSCWBIIEY-UHFFFAOYSA-N 303.189 2.055 0 50 DEAA O=C1N(CCC2CCCCC2)CCC[C@@]1(O)CNC1CCC1 11720486 QBFNJHHWUZDRTR-GOSISDBHSA-N 308.466 2.452 0 50 DEAA Cc1cc(CN2CCC[C@@H](CNC(=O)c3cccs3)C2)[nH]n1 12445310 HCDBKBWXMYGWBY-ZDUSSCGKSA-N 318.446 2.422 0 50 DEAA O=C(NC1CCC1)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 12715747 NAURGMCWDLFYRF-ZDUSSCGKSA-N 304.365 2.233 0 50 DEAA O=C(Cc1ccccc1F)N1CCN(Cc2ccco2)CC1 16602404 RKKOILHLQUPNDW-UHFFFAOYSA-N 302.349 2.306 0 50 DEAA Cc1ccc(S(=O)(=O)NC[C@@H](C)n2nc(C)nc2C)c(C)c1 16650188 WPAQMTTVOZQZDW-GFCCVEGCSA-N 322.434 2.051 0 50 DEAA CN(C)c1nc2ccc(OCCN3CCOCC3)cc2s1 19313643 JZXXMJOOVZNTFY-UHFFFAOYSA-N 307.419 2.073 0 50 DEAA CCC[C@H]1COC[C@H]2CN(C(=O)Nc3ccccc3)CCN12 1857707602 FSXDWBJERDJZCQ-JKSUJKDBSA-N 303.406 2.404 0 50 DEAA CN(C)C[C@H]1[C@H]2CN(C(=O)NC3CCCCC3)C[C@]23CC[C@H]1O3 1875243371 DOOGHNNAYPERDM-BVIKNXMNSA-N 321.465 2.070 0 50 DEAA CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1 1640118 DCRXXPBUFHOMPN-LBPRGKRZSA-N 323.345 2.098 0 50 DEAA in-vitro Cc1nnc([C@H]2COCCN2C(=O)c2cc(C)sc2C)o1 328610739 JARJQBAUMFEJAM-GFCCVEGCSA-N 307.375 2.270 0 50 DEAA CCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)Cc2cccnc2)cn1 328618524 DUTMKLIJOIXOAP-JKSUJKDBSA-N 314.389 2.034 0 50 DEAA Cc1ccc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)s1 123310139 JMZCZMSPEJKMOM-UHFFFAOYSA-N 321.446 2.210 0 50 DEAA O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCn2ncnc2C1 329932453 BAEGKWDTAZYWTI-RKDXNWHRSA-N 308.794 2.139 0 50 DEAA N=C(O)C[C@@H]1COCCN1C(=O)c1csc2c1CCCC2 331953899 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315.764 2.134 0 50 DEAA CN(Cc1c(Cl)ccc2cccnc12)C[C@@H]1CNCCO1 2325787197 IXZHIGLTFXVUFF-ZDUSSCGKSA-N 305.809 2.308 0 50 DEAA Cc1cccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1 182826 CRRKUZBZMCUHGR-UHFFFAOYSA-N 305.355 2.275 0 50 DEAA C[C@H](C(=O)Nc1ccc(O)cc1)n1cnc2ccccc2c1=O 306057 GIMLLWAXDXALJP-LLVKDONJSA-N 309.325 2.302 0 50 DEAA Cc1nnc(NC(=O)[C@@H](C)n2ccc3ccccc3c2=O)s1 344207429 RTXFQLSFGSUCHI-SECBINFHSA-N 314.370 2.361 0 50 DEAA CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 4873050 FIVHHYYYYYHKCH-CQSZACIVSA-N 309.431 2.243 0 50 DEAA Cc1nc(CCN)cc(NCc2ccccc2-n2ccnc2C)n1 67787484 XRLPSJTZLIXDPH-UHFFFAOYSA-N 322.416 2.392 0 50 DEAA O=C(O)COc1ccc(Cl)cc1[C@@H]1CC(=O)Nc2n[nH]cc21 65387401 FJDBUQLMHCRRRC-QMMMGPOBSA-N 321.720 2.001 0 50 DEAA CN1CCC[C@@]2(CCN(Cc3cc(C(C)(C)C)[nH]n3)C2)C1=O 67433995 YLGZAKJJCGHXKY-KRWDZBQOSA-N 304.438 2.152 0 50 DEAA C[C@H](Cc1ccccn1)N(C)C(=O)c1cccc(-n2cnnc2)c1 67726507 LHTUPGGBUZAMPQ-CQSZACIVSA-N 321.384 2.366 0 50 DEAA C[C@H](NC(=O)N1CCC[C@H](N2CCCC2)CC1)C1CCOCC1 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CC(=O)N1CCC(N2CCO[C@@H](Cc3ccc(F)cc3)C2)CC1 23340515 OSHBQMZAWSGACG-SFHVURJKSA-N 320.408 2.080 0 50 DEAA COC(=O)[C@@H](c1ccccc1C)N(C)C[C@@H]1CCN(C(C)=O)C1 163217793 DMWQJEKWXGTKGJ-DOTOQJQBSA-N 318.417 2.009 0 50 DEAA C[C@]1(C(=O)O)CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 268937718 CQQDWPRGCHKUBX-VKJFTORMSA-N 317.385 2.478 0 50 DEAA COCCc1noc(CN2CC(Oc3cccc(Cl)c3)C2)n1 244853054 VEJUIXATMZWJKA-UHFFFAOYSA-N 323.780 2.175 0 50 DEAA Cn1ccnc1[C@@H](NC(=O)CN1CCCCCCC1)C1CC1 534637108 SGBIZMDGYODFLC-INIZCTEOSA-N 304.438 2.254 0 50 DEAA CC[C@H](O)Cn1nc(C(C)C)nc1CCc1c(C)nn(C)c1C 822619879 AGQBUKKFOIKVMP-AWEZNQCLSA-N 319.453 2.308 0 50 DEAA COCCc1nc(CSC)n(-c2ccc3c(c2)OCO3)n1 670447695 XQLZJTOBDXMHMS-UHFFFAOYSA-N 307.375 2.048 0 50 DEAA CCC(C)(C)c1cn([C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@@H]2C)nn1 1875323842 VEIKWRMMFIVIAU-MELADBBJSA-N 320.437 2.022 0 50 DEAA Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H](c3cnccn3)C2)c1 952994198 XAIYNZCTUCFPJM-GFCCVEGCSA-N 321.377 2.102 0 50 DEAA CC(C)[C@H](CC(=O)N1CCC[C@@](O)(C(=O)O)C1)c1ccccc1 1875292040 UOUWFZPOGBPXMZ-YJBOKZPZSA-N 319.401 2.254 0 50 DEAA CC1(C)C[C@@H](O)CCN(c2ncc(F)c(NCC(F)F)n2)C1 888098072 CNXQMJBSGXNPAU-VIFPVBQESA-N 318.343 2.280 0 50 DEAA Cc1cc(C(F)F)n(CC(=O)N2C[C@@H]3C[C@@]3(C(F)F)C2)n1 1776008222 UWWCRJZDYLIJFD-ISVAXAHUSA-N 305.275 2.243 0 50 DEAA O=C(Nc1ncn(C2CCCCC2)n1)c1ccc(C(=O)O)nc1 1594821918 NXTDCYJOIUUKAM-UHFFFAOYSA-N 315.333 2.129 0 50 DEAA Cn1cc(-c2ccc(CN[C@H]3CCC(=O)NC34CCC4)cc2)cn1 585080470 WZIJLJMICPVYFE-KRWDZBQOSA-N 324.428 2.378 0 50 DEAA CN(C)CCCC(C)(C)NC(=O)c1cc([C@@H]2CCCN2C)[nH]n1 585121300 LJCZPKJHELIGSX-HNNXBMFYSA-N 321.469 2.027 0 50 DEAA O=C1NC2(CCOCC2)C(=O)N1Cc1cc(F)ccc1Cl 188204591 DLIYMYOVVYCREO-UHFFFAOYSA-N 312.728 2.080 0 50 DEAA C[C@H](Cn1cccn1)N[C@@H]1CCN(c2ccccc2Cl)C1=O 111229641 VYCUFJDLEHVTHL-TZMCWYRMSA-N 318.808 2.320 0 50 DEAA COC[C@H]1CCCCN1C(=O)Nc1cnn(-c2ccncc2)c1 652617121 UDOGKSABXUEMQV-OAHLLOKOSA-N 315.377 2.300 0 50 DEAA O=C(NCCOCc1ccccc1)N[C@H]1CCN2CCCC[C@@H]12 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C[C@H](C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCC1 12380638 SIKQLCHVECJLPS-MRXNPFEDSA-N 316.445 2.335 0 50 DEAA O[C@@H](CN1CC=C(c2ccc(F)cc2)CC1)C1CCNCC1 1857678124 BRUNLPOSYCIZQF-SFHVURJKSA-N 304.409 2.275 0 50 DEAA Cc1ccc(-c2nccn2[C@@H]2CN[C@@H](CO)C2)c2cccnc12 1857733543 NUPAXEWMMJOGLZ-KGLIPLIRSA-N 308.385 2.302 0 50 DEAA CN(Cc1ccc(Br)s1)C(=O)[C@@H]1C[C@@H]1C(=O)O 258731159 QYWBHRIYIBMMRQ-SFYZADRCSA-N 318.192 2.190 0 50 DEAA CCC(=O)N[C@@H]1CCCN([C@@H](C(=O)OC)c2ccc(F)cc2)C1 229367238 BJYAQDALGZCSKL-GDBMZVCRSA-N 322.380 2.030 0 50 DEAA CC[C@@H](C)c1cc(C(=O)N2CCOC[C@H]2c2nnc(C)o2)on1 328609616 FFBCWOSQQXDREO-SKDRFNHKSA-N 320.349 2.093 0 50 DEAA Cc1c(Cl)cccc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 640868549 HEQLPASSCYTLDZ-WQVCFCJDSA-N 322.836 2.366 0 50 DEAA CC(C)CCO[C@H]1CCN(C(=O)c2ccc(C(=O)O)nc2)C1 236763994 JIJQZFYFXKANQN-ZDUSSCGKSA-N 306.362 2.057 0 50 DEAA COc1ccc(C(=O)CSc2nc(C)cc(=O)[nH]2)cc1C 9438785 MEDHYBPSDJOBIJ-UHFFFAOYSA-N 304.371 2.370 0 50 DEAA CC(C)(C(=O)O)n1cc(Nc2ncnc3c2CCCC3)cn1 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2.258 0 50 DEAA O=C(N[C@@H]1CCSC1=O)c1ccc(Br)cc1 245839 VJZLVCSKLAWSMT-SECBINFHSA-N 300.177 2.211 0 50 DEAA COc1ccc(N2C(=O)C[C@H](N3CCc4ccccc43)C2=O)cc1 299016 ILTZTIBVSANSHI-KRWDZBQOSA-N 322.364 2.390 0 50 DEAA O=C(CN1CCN(c2ccccc2F)CC1)NC1CCCCC1 55062877 UGEHOIYQIKSVJW-UHFFFAOYSA-N 319.424 2.397 0 50 DEAA Cc1ccc([C@H](CNC(=O)CCCn2cccn2)N(C)C)cc1 51469764 QEWNCTSIRMELBM-KRWDZBQOSA-N 314.433 2.391 0 50 DEAA O=c1c2cnn(-c3ccccc3)c2ncn1CC1CCOCC1 117545200 UGSCKMGTSVOXTD-UHFFFAOYSA-N 310.357 2.009 0 50 DEAA Cc1cccc([C@@H](C(=O)NCc2ccc3nonc3c2)N(C)C)c1 65435874 YICBMQSAYSSFIW-KRWDZBQOSA-N 324.384 2.450 0 50 DEAA Cc1ccc(NC(=O)CC(C)C)cc1N1C[C@H](C(=O)O)CC1=O 67786365 MDUZPFOXDAUGAF-GFCCVEGCSA-N 318.373 2.417 0 50 DEAA CC[C@@H](C)N(CC(=O)O)C(=O)/C=C/c1ccc2c(c1)OCO2 328589231 MJCZTMQSQXZCTB-OKPNEXGHSA-N 305.330 2.140 0 50 DEAA CC(C)n1ncc2c1C[C@@H](Nc1ncnc(N)c1Cl)CC2 328587971 KSBCMAGGHUSLTN-JTQLQIEISA-N 306.801 2.459 0 50 DEAA CC(C)COC[C@@H](O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 328644061 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COCc1cccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 284616334 KROVPTIGUMLYGW-RCCFBDPRSA-N 305.418 2.195 0 50 DEAA CS(=O)(=O)c1cnc(C2CCCC2)nc1[C@H]1CCCNC1 71498584 XZZSHFDLIDSDIQ-LBPRGKRZSA-N 309.435 2.005 0 50 DEAA Fc1cccnc1N1CC[C@H](NC2CCC3(CC2)OCCO3)C1 156321069 HQFQWVYDVLSMSQ-AWEZNQCLSA-N 321.396 2.075 0 50 DEAA C[C@@H](Cc1cccs1)NS(=O)(=O)NCc1ccccc1 72121919 IVLQWLVLLVTUNR-LBPRGKRZSA-N 310.444 2.303 0 50 DEAA COc1ccccc1N1CC[C@H](NC(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 240534577 GORHMGSHQKLWJA-SZOQZIPDSA-N 300.402 2.436 0 50 DEAA Cc1cncc(C(=O)N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)c1 72148499 JHXYGGLKCNGBRX-HNNXBMFYSA-N 323.396 2.194 0 50 DEAA O[C@]1(Cn2ccnn2)CCCN(Cc2ccc(F)c(Cl)c2)C1 285553383 QVENWORTVYJCCK-OAHLLOKOSA-N 324.787 2.098 0 50 DEAA CN1CC[C@]2(CCN(C(=O)c3cc(-c4cccs4)n[nH]3)C2)C1 292261434 PNLXHNXYAZENDA-INIZCTEOSA-N 316.430 2.306 0 50 DEAA COc1ccc2oc(CNC(=O)c3cc(=O)cc(C)o3)nc2c1 223575488 ASBQKQQTDMGPOC-UHFFFAOYSA-N 314.297 2.028 0 50 DEAA CCCn1ccnc1CNc1cc(C2CC(O)C2)nc(C)n1 223321113 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1506399564 HQWXVVCMXICNHH-MRXNPFEDSA-N 301.434 2.398 0 50 DEAA CCOC(=O)c1ccc(NC(=O)NCc2ccn(CC)n2)cc1 610936 RDYZYHINIFZYHT-UHFFFAOYSA-N 316.361 2.401 0 50 DEAA Clc1ccccc1N1CCN(CC[C@H]2COCCO2)CC1 1775978600 GAFYIWNEBUIFTG-AWEZNQCLSA-N 310.825 2.268 0 50 DEAA Cc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2N)cc1 11693034 BGRSIVLYLIWSLD-UHFFFAOYSA-N 307.357 2.088 0 50 DEAA Cc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 11784828 PPCKPBJRMBIPPG-CYBMUJFWSA-N 305.403 2.286 0 50 DEAA COc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)cc1 16576994 CWSRCTVSOKNKAJ-UHFFFAOYSA-N 309.362 2.454 0 50 DEAA COc1ccc(OC)c([C@@H](C)NC(=O)C[C@@H](C)CC(=O)O)c1 17031951 SCFRHQVACYLNRB-GHMZBOCLSA-N 309.362 2.382 0 50 DEAA C[C@]1(C(=O)N2CCO[C@H](c3ccsc3)C2)CCCN=C1O 330286627 AUMNAAMWNKZPFI-WFASDCNBSA-N 308.403 2.405 0 50 DEAA CCCCN1C(=O)N[C@@H](c2ccccc2OC)C2=C1COC2=O 169760805 VMWCGDYCPBASED-HNNXBMFYSA-N 316.357 2.373 0 50 DEAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)CCc1cccnc1 1857678304 UTZOBEGTWGRPSS-JJRVBVJISA-N 302.374 2.259 0 50 DEAA C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)s2)C[C@H]1O 240555822 GXLLCALYOYSYBC-ZWNOBZJWSA-N 307.394 2.475 0 50 DEAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCOC1 252479493 BGHIINCQFDIZSK-AVOUXACISA-N 303.406 2.084 0 50 DEAA COC(=O)N[C@H](CC(C)C)C(=O)Nc1cc2cc[nH]c2cn1 585091114 YVDSZVGCOYLXFM-LLVKDONJSA-N 304.350 2.272 0 50 DEAA Cc1cnc(NC(=O)N2CC[C@@H](CO)C2)nc1-c1ccccc1 828713495 BLIROMVLBKDZBK-CYBMUJFWSA-N 312.373 2.298 0 50 DEAA O=C(NCCn1cccn1)c1ncc(C(F)(F)F)cc1Cl 930618730 NSTJWMONVVLOPG-UHFFFAOYSA-N 318.686 2.380 0 50 DEAA CC[C@]1(C)OC(=O)N(CCC(=O)Nc2cccc(F)c2)[C@]1(C)O 1430308 HWUAPZLUNBVGLS-JKSUJKDBSA-N 324.352 2.484 0 50 DEAA C[C@H]1CO[C@H](C(=O)N[C@H]2C[C@H](c3ccccc3C(=O)O)C2)C1 2325777926 PAXRTZRLOPTIJR-BLTAXRJOSA-N 303.358 2.172 0 50 DEAA CCOCCN1CCN(C(=O)Nc2ccncc2F)C[C@H]1CC 133353823 VAVVVRSWFQGDAZ-CYBMUJFWSA-N 324.400 2.185 0 50 DEAA COc1ccc(CCN[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 182016 LRDLZCMUUQTTMU-QGZVFWFLSA-N 324.380 2.159 0 50 DEAA Cc1nn(C)c2c1[C@@H](NC(=O)c1ccc3ccn(C)c3n1)CCC2 2356155900 NIHVVKJIOLOKIW-ZDUSSCGKSA-N 323.400 2.423 0 50 DEAA Cc1cc(N2C[C@@H]3CNC(=O)[C@@H]3C2)nc2cc3c(cc12)CCC3 2356163322 YCZTXGSBBBRKIE-GOEBONIOSA-N 307.397 2.214 0 50 DEAA Cc1ccsc1CN(CC(C)C)C(=O)C[C@@H]1CNCCO1 55212034 CHLHVPKRXLHUCD-CQSZACIVSA-N 310.463 2.420 0 50 DEAA O=C(CSc1ccccn1)Nc1ncc2c(n1)CCCC2=O 9264513 DZFKGWGZUHUZQB-UHFFFAOYSA-N 314.370 2.121 0 50 DEAA Cc1ccc(NCc2c(C)nn(C)c2C)cc1S(C)(=O)=O 134891617 ZCHZJFJSVHUYPO-UHFFFAOYSA-N 307.419 2.361 0 50 DEAA COc1ncccc1C(=O)Nc1cnn(CC(F)(F)F)c1 118237954 QLGHZSAQXRANNL-UHFFFAOYSA-N 300.240 2.101 0 50 DEAA CC(=O)NCCC1=CCCN(Cc2ccc3c(c2)OCO3)C1 65532951 YEXGBFXCHTVZDY-UHFFFAOYSA-N 302.374 2.074 0 50 DEAA CCN(Cc1cnn(CC)c1)c1nc(CCN)nc2ccccc12 65495989 WYSVHMQNNURKPQ-UHFFFAOYSA-N 324.432 2.374 0 50 DEAA CCn1cnnc1CCNc1cc(C)nc(-c2cccnc2)n1 65375503 ISGPNBPJHMOKFS-UHFFFAOYSA-N 309.377 2.113 0 50 DEAA O=C([C@@H]1CCCN1c1nccs1)N1CCO[C@@H]2CCCC[C@@H]21 229859244 GEROXVLTIXOLGT-MELADBBJSA-N 321.446 2.282 0 50 DEAA CCc1cn[nH]c1[C@H]1CCCN(c2cc(COC)ncn2)C1 67982727 IIOBSKOPYVWFPC-ZDUSSCGKSA-N 301.394 2.293 0 50 DEAA COC(=O)CCCc1nc(C2CC2)nn1-c1cccc(C)n1 65407376 NEXVUUCQKWVURF-UHFFFAOYSA-N 300.362 2.344 0 50 DEAA CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1c1ncc[nH]1 328619339 FTIIZEYVVIFBHA-BZUAXINKSA-N 310.401 2.029 0 50 DEAA COc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)ccc1F 331994672 VFROJNBWSMQEQX-GXTWGEPZSA-N 321.348 2.045 0 50 DEAA O=C(CCOC1CCOCC1)N1CC[C@H](O)c2ccccc2C1 374692949 JFFIDCMBKMDHOS-KRWDZBQOSA-N 319.401 2.038 0 50 DEAA OCC[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CCO1 216034636 HSXHTFRUYFWJEA-CQSZACIVSA-N 321.808 2.109 0 50 DEAA O=C(COc1cccnc1)N1CCCC[C@@H]1CCn1cccn1 71752199 WSSNVJTUKQCABX-OAHLLOKOSA-N 314.389 2.128 0 50 DEAA CCCC(=O)N[C@H]1CCCN(C(=O)c2cc(F)ccc2O)C1 175214156 KKKYYSAQDQOJTA-LBPRGKRZSA-N 308.353 2.052 0 50 DEAA CCN1CCN(C(=O)c2c(C)coc2C)C[C@H]1c1ncc[nH]1 241515520 OFYMUIDMMAGHDI-ZDUSSCGKSA-N 302.378 2.139 0 50 DEAA CCOc1ccc(CN2CCN(C3CCOCC3)CC2)cc1 175472815 VREHXLJQZLTHMN-UHFFFAOYSA-N 304.434 2.382 0 50 DEAA CC(C)NC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccco1)CC2=O 71375419 BFMKQRAPFPZOGP-JTQLQIEISA-N 314.341 2.019 0 50 DEAA CS(=O)(=O)[C@@H]1CCCN(c2ccnc(C(F)(F)F)c2)C1 286981460 SZLZLOKTAWITAP-SNVBAGLBSA-N 308.325 2.114 0 50 DEAA COC(=O)N[C@H](C)C(=O)N1CCC(Oc2ccc(C)cc2)CC1 82109006 JNRLPKFTLOYVJP-CYBMUJFWSA-N 320.389 2.109 0 50 DEAA CN(C)C(=O)c1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)nc1 220176896 MGZITILXGCHTOF-AWEZNQCLSA-N 323.396 2.379 0 50 DEAA O=C([C@H]1CC12CC2)N(CCCn1ccnc1)Cc1cccnc1 426573348 XYJQRMPMAFGONF-MRXNPFEDSA-N 310.401 2.497 0 50 DEAA CCCn1ncc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)c1C 91756673 UIFVCQKDCRBIPG-LLVKDONJSA-N 305.300 2.005 0 50 DEAA CCCn1cc(C(=O)N(C)CCc2noc(C(C)C)n2)c(C)n1 91547625 JKTIBWPITPMXOM-UHFFFAOYSA-N 319.409 2.423 0 50 DEAA O=C1NC(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccco3)[C@H]12 238900562 JOZFRLCLDICRRS-RWMBFGLXSA-N 318.716 2.067 0 50 DEAA COCC[C@]1(O)CCN(Cc2nc3ccccc3n2C)C[C@H]1C 91469037 UAOHYTOTACUIOH-RDTXWAMCSA-N 317.433 2.183 0 50 DEAA CCOc1ncccc1CNC(=O)c1ccc2nccnc2c1 97446851 TTWKJAVWEXWYSQ-UHFFFAOYSA-N 308.341 2.354 0 50 DEAA Cn1ccnc1[C@H]1N(C(=O)c2ncc(F)cc2F)CC1(C)C 295750599 BCYKVSPKIKFPOA-GFCCVEGCSA-N 306.316 2.317 0 50 DEAA Cc1nc(-c2n[nH]c3c2CCCC3)n(C2CCN(C)CC2)n1 95362258 RJLGTYJHSKWSSC-UHFFFAOYSA-N 300.410 2.122 0 50 DEAA CCN(Cc1cc(CN2CCCCC2)cs1)[C@H]1COC[C@@H]1O 97568820 DNDUNSCMFWRJIH-IRXDYDNUSA-N 324.490 2.316 0 50 DEAA Cn1c(CCNC(=O)CCCCCCN)nc2c(F)cccc21 237861882 XOOKCWYNHBGQBZ-UHFFFAOYSA-N 320.412 2.280 0 50 DEAA c1ccc(-c2nnc(CN3CCC(n4cnnc4)CC3)o2)cc1 244866407 VVPSUYFSLVXZNG-UHFFFAOYSA-N 310.361 2.165 0 50 DEAA OC[C@@]1(O)CCCN(CCc2cccc(C(F)(F)F)c2)C1 628308439 OJDFRXFEYMVBIY-CQSZACIVSA-N 303.324 2.067 0 50 DEAA COc1ccc(Cl)cc1CN(C)S(=O)(=O)N1CCCC1 248094026 GCEQFQIPTMKMIB-UHFFFAOYSA-N 318.826 2.121 0 50 DEAA CO[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 362127835 YGQBFSAETSUIMJ-SNVBAGLBSA-N 309.309 2.115 0 50 DEAA O=C(c1cc(C(F)F)n[nH]1)N1CCC(Oc2ccncc2)CC1 299755460 CQUWMBIFRLCZGY-UHFFFAOYSA-N 322.315 2.426 0 50 DEAA CN(C)C/C=C/C(=O)NCCc1nc2cc(F)ccc2s1 1875375866 QKCXVSCHFMPGPQ-ONEGZZNKSA-N 307.394 2.212 0 50 DEAA COC1(C)CCN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 271777577 RRUSSANQCLELOI-UHFFFAOYSA-N 316.401 2.220 0 50 DEAA O=C(Cn1ncc2ncccc21)N1CCC[C@@H](c2cccnc2)C1 1875283749 DLWOOZSBWHXVQI-OAHLLOKOSA-N 321.384 2.233 0 50 DEAA O=S1(=O)CC(Sc2nnc(-c3ccc(Cl)cc3)o2)C1 1875275662 PQNSZFJYHBDUIN-UHFFFAOYSA-N 316.791 2.279 0 50 DEAA Cc1cc(=O)c(C(=O)NCCOc2c(C)cccc2Cl)c[nH]1 952967181 IVKRZYHABAENBS-UHFFFAOYSA-N 320.776 2.454 0 50 DEAA CCOc1nc(C)ccc1-c1nnc([C@@]2(OCC)CCOC2)o1 886082116 BCJULSZVTCCOFO-MRXNPFEDSA-N 319.361 2.491 0 50 DEAA O=C(NCC1(C2(O)CCC2)CC1)[C@@H]1OCC[C@@H]1c1ccccc1 887537726 JRCDPHBUZBBEGT-HZPDHXFCSA-N 315.413 2.371 0 50 DEAA CCNC(=O)c1cc(NC(=O)N[C@](C)(CC)CO)c(C)s1 889399337 FQUIOIPKTKMIAH-CQSZACIVSA-N 313.423 2.089 0 50 DEAA C[C@@H]1[C@@H](NC(=O)CSc2nnc(N)s2)CCC[C@H]1C 245263834 BDHKICHWIZQXSL-VGMNWLOBSA-N 300.453 2.153 0 50 DEAA O=C([C@@H](Cc1ccccc1)Nc1nccs1)N1CCOCC1 893201080 VUMADGSTGBDMMQ-CQSZACIVSA-N 317.414 2.025 0 50 DEAA CCc1nc(OC)ccc1NC(=O)c1cnc2c(cnn2C)c1 1343398559 DUQHVXRPLWMWIH-UHFFFAOYSA-N 311.345 2.187 0 50 DEAA O=C(Cc1cccs1)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565527235 DYABZHLJNJRJDJ-GJZGRUSLSA-N 309.431 2.381 0 50 DEAA O=S(=O)(CC1CCC1)NCCc1ncc(-c2ccccc2)[nH]1 1364063451 DUDTVZGKKSQJBV-UHFFFAOYSA-N 319.430 2.339 0 50 DEAA CCn1nccc1[C@@H]1OCC[C@H]1CN[C@H](C)CCn1cccn1 275397057 CHAPFXOQFRQKNV-HLLBOEOZSA-N 317.437 2.246 0 50 DEAA Cc1nnc([C@@H]2COCCN2C(=O)[C@@H](C)c2cccs2)o1 275515448 XPPZZUNVXCAPHS-ONGXEEELSA-N 307.375 2.143 0 50 DEAA Cn1ccnc1[C@H]1OCC[C@@H]1Nc1nccc(C(F)(F)F)n1 275695930 XFMGIEIWAMAWIV-WPRPVWTQSA-N 313.283 2.171 0 50 DEAA CC(C)NC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1 170093018 ZPPCBYRSLHWMAY-UHFFFAOYSA-N 317.414 2.407 0 50 DEAA CN(CCc1ccccc1)CC(=O)N1CC[C@H](O)CC(C)(C)C1 585132358 UVALFJZCGGTJAN-KRWDZBQOSA-N 318.461 2.170 0 50 DEAA CC(C)c1ccc(C(=O)NCc2nc([C@H]3CCOC3)n[nH]2)cc1 585127706 HMVVNXWFUWYJFC-AWEZNQCLSA-N 314.389 2.362 0 50 DEAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1ncnn1-c1ccccc1 278389213 MHVDNBHEMYSXIV-CABCVRRESA-N 314.389 2.089 0 50 DEAA CC[C@@H](CO)NC(=O)c1csc(COc2ccc(F)cc2)n1 170602624 IKZQBYPNQDLIHE-NSHDSACASA-N 324.377 2.362 0 50 DEAA Cc1nc(-c2ccccc2)c(C(=O)N2CCS(=O)CC2)s1 170982024 ORSFGPDIJAQGNY-UHFFFAOYSA-N 320.439 2.323 0 50 DEAA Cc1cc(C)cc(-c2cc(NC(=O)CN3CCCC3=O)[nH]n2)c1 171301254 CQBWAAFYFHSGSE-UHFFFAOYSA-N 312.373 2.254 0 50 DEAA Cc1cc(COCC(=O)Nc2n[nH]c3cc(F)ccc23)on1 225767962 HSWMQNGSLUJZCJ-UHFFFAOYSA-N 304.281 2.154 0 50 DEAA C[C@@]1(C2CC2)CN(CCOc2ccccc2C(=O)O)CCO1 656758045 UFFGKLXHKHSFCT-KRWDZBQOSA-N 305.374 2.265 0 50 DEAA Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)NCC1=CCCC1 661926282 HMGSXSJKYBOYSC-GOEBONIOSA-N 318.421 2.297 0 50 DEAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc(O)n3)C1)CC2 1704325390 JAQYRIWFJDKAMM-GOSISDBHSA-N 324.384 2.006 0 50 DEAA CSCCCONC(=N)[C@H]1CCN1C(=O)OC(C)(C)C 1615588450 PZTLYQURSATWCI-SNVBAGLBSA-N 303.428 2.247 0 50 DEAA Cc1ccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)o1 13147218 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NPKQDTWXVVKNSG-GFCCVEGCSA-N 320.393 2.357 0 50 DEAA COC(=O)c1ccc(N2CCOCC2)c(NC(=O)CC(C)C)c1 9423648 OXKZMOVDGFRNMV-UHFFFAOYSA-N 320.389 2.294 0 50 DEAA O=c1[nH][nH]c2nc(CN3Cc4ccccc4C3)nc3cccc1c32 59277233 JLFSBHQQXIAQEC-UHFFFAOYSA-N 317.352 2.315 0 50 DEAA in-vitro CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1c[nH]c(=O)[nH]1 55244372 BNLIUSKJFANMEA-UHFFFAOYSA-N 316.361 2.392 0 50 DEAA Cc1cc(=O)[nH]c2ccc(S(=O)(=O)NC3CCCCC3)cc12 10434444 HOKAOSSVLSJZSO-UHFFFAOYSA-N 320.414 2.448 0 50 DEAA CCNC(=O)[C@@H](C)NC(=O)c1oc2cc(OC)ccc2c1C 67675546 XAMMAKPIQNGVHP-SNVBAGLBSA-N 304.346 2.004 0 50 DEAA CCc1nnsc1C(=O)NCC[C@H]1CCCN(C(C)C)C1 67446768 PUHNXIBGIAFBSI-GFCCVEGCSA-N 310.467 2.341 0 50 DEAA Cc1cccc([C@@H](C(=O)N(C)Cc2snnc2C)N(C)C)c1 65371786 NGDCFTUJRSLFML-HNNXBMFYSA-N 318.446 2.416 0 50 DEAA CN(C(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccccc1 65365701 IBDPVCQIBIRKEN-UHFFFAOYSA-N 318.398 2.359 0 50 DEAA CCn1cc(C(=O)NCc2nc(C(=O)O)cs2)c(C(C)C)n1 124144075 FCCVDEFTVZTGMG-UHFFFAOYSA-N 322.390 2.111 0 50 DEAA O=C1CC[C@H](Cn2cnc3sc4c(c3c2=O)CCCCC4)N1 32586950 YVJFLPPRTLSDEA-SNVBAGLBSA-N 317.414 2.006 0 50 DEAA Cn1cc2c(n1)CCC[C@H]2NC(=O)Cc1cc(F)ccc1F 282860144 QUZMKRQIVLJOKJ-CQSZACIVSA-N 305.328 2.435 0 50 DEAA O=C(Nc1ccc(N2CCC2=O)cc1)N[C@H]1CC12CCOCC2 333231167 YCWRUCFDWUEMDK-AWEZNQCLSA-N 315.373 2.114 0 50 DEAA NC(=O)NC(=O)c1ccsc1NC(=O)c1ccccc1Cl 6402681 LWUIIHMKAZPXBI-UHFFFAOYSA-N 323.761 2.462 0 50 DEAA CCCCOc1ccc(CN2CCN3CCN(C)C[C@@H]3C2)cc1 215723317 ACHYXNPEYMPQRN-GOSISDBHSA-N 317.477 2.297 0 50 DEAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccn(-c2ccccc2Cl)n1 237498570 CEXIZQTXAZSXAS-NEPJUHHUSA-N 318.808 2.478 0 50 DEAA C[C@H]1CCCN(C(=O)c2cc(-c3cccs3)[nH]n2)[C@H]1CN 237641076 NKUHRIJPJKYWSE-GWCFXTLKSA-N 304.419 2.338 0 50 DEAA CCO[C@H]1C[C@@H]1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 363373565 BCGPDLIAJLLFPM-IRXDYDNUSA-N 320.408 2.331 0 50 DEAA O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CC[C@H](C2CCCC2)C1 333577004 SVIGGLHMXVOFSJ-LSDHHAIUSA-N 302.422 2.489 0 50 DEAA N=C(O)[C@@H]1CN(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)CCO1 333517890 YUWSZRNSZWELKN-UBHSHLNASA-N 321.352 2.017 0 50 DEAA O=C(O)[C@H]1CN(C(=O)c2n[nH]c3ccccc23)Cc2ccccc21 374174329 MZNUEUFBGOLFAR-AWEZNQCLSA-N 321.336 2.387 0 50 DEAA CC(C)(CNC(=O)N1CC[C@@H](C(=O)O)C1)c1ccc(F)cc1 263217783 JXMKGGXMIVMLNB-LLVKDONJSA-N 308.353 2.219 0 50 DEAA CN(C)n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 40396640 CQZDRRIBDONUQA-UHFFFAOYSA-N 323.331 2.048 0 50 DEAA CCOc1cccc(C(=O)N2C[C@H](COC)OC(C)(C)C2)c1 285512984 NWOXDBJOAIAOQR-OAHLLOKOSA-N 307.390 2.351 0 50 DEAA Cc1noc(COCC(=O)N2c3ccccc3SC[C@@H]2C)n1 176647536 NXEMAEMRYBLBGY-JTQLQIEISA-N 319.386 2.422 0 50 DEAA COC[C@H]1[C@@H](NC(=O)CCc2ccc(C)cc2)[C@@H]2CCO[C@@H]21 220352797 XYVRGTLBADYCQW-LAQRGFTBSA-N 303.402 2.094 0 50 DEAA Cc1ccc2c(CC(=O)N3[C@H]4CC[C@@H]3[C@@H]3CNC[C@@H]34)coc2c1 426386988 XLONJZZNSXBCTG-WNKDZCFJSA-N 310.397 2.493 0 50 DEAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@]2(C)CCCO2)n1 426652144 WXQAACVGMJYERE-ZDUSSCGKSA-N 317.311 2.032 0 50 DEAA CNC[C@H]1CCN(C(=O)CCOc2ccc(F)cc2Cl)C1 178997851 RXUYSOAXLMPOSH-LLVKDONJSA-N 314.788 2.316 0 50 DEAA Cc1c([C@@H](C)NC(=O)c2cc(O)nc(C(C)C)c2)cnn1C 180770891 JPBZKLFRLGTNBQ-SNVBAGLBSA-N 302.378 2.444 0 50 DEAA CCc1csc(CNC(=O)c2cc(=O)[nH]c3ccccc23)n1 91678790 OFFXUMZSDPQDRB-UHFFFAOYSA-N 313.382 2.477 0 50 DEAA COCCC(C)(C)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 185079442 JOMHHHXYPZXMMX-OAHLLOKOSA-N 313.438 2.236 0 50 DEAA COC[C@@H](NC(=O)c1cccc2c1CCC2=O)c1ccccn1 534590069 GERXAMPPBBVGPL-MRXNPFEDSA-N 310.353 2.328 0 50 DEAA CCn1nc(C)c([C@H](C)NC(=O)c2cc(C)nc(O)c2)c1C 823593290 GNCRXFKHAFBQEL-JTQLQIEISA-N 302.378 2.420 0 50 DEAA COc1ccc(OCc2nc(CCO)n(C(C)(C)C)n2)cc1 828773624 QNLCCLBDIYBTSQ-UHFFFAOYSA-N 305.378 2.156 0 50 DEAA CCOC(=O)N1CC[C@@H](NCc2noc(-c3ccccc3)n2)C1 584898976 PYPUWSITJCBRFC-CYBMUJFWSA-N 316.361 2.057 0 50 DEAA O=C(Cc1cccnc1)N[C@H]1CCCN(Cc2cccs2)C1 827854351 KASKMIBTWUEMRT-HNNXBMFYSA-N 315.442 2.466 0 50 DEAA Cc1cc(=O)c2c(o1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 828244736 KQUYPDZBNMJAFN-SNVBAGLBSA-N 300.266 2.118 0 50 DEAA biogenic C[C@@H]1CCCN(CCCNC(=O)N2CC(c3ccccn3)C2)C1 584895670 ZKCCEPLQKPMEDY-OAHLLOKOSA-N 316.449 2.312 0 50 DEAA Cc1ccc([C@H](NC(=O)N2C[C@@H](C)[C@@H](CN)C2)C(F)(F)F)o1 630078403 TZQYZCNPNDCTNF-QRTLGDNMSA-N 319.327 2.428 0 50 DEAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](c2ncccn2)C1 952995051 BNFBMLIUMJTYJN-GFCCVEGCSA-N 321.377 2.102 0 50 DEAA C[C@H]1[C@H](c2ccc(F)c(F)c2)CCN1c1cc(=O)n(C)c(O)n1 1875295433 XVKLXSTZACTDLB-GXSJLCMTSA-N 321.327 2.147 0 50 DEAA CCc1cnccc1CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875293619 WUPXGYNDFWACDJ-WDEREUQCSA-N 314.389 2.319 0 50 DEAA CC1=C(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)OCCO1 952976392 ZJDWZNKLQSGNJU-HNNXBMFYSA-N 313.357 2.019 0 50 DEAA Cc1cccc(C(=O)N2CCC(Cn3ccnn3)CC2)c1F 269960606 KZPBLEDQMXPTRS-UHFFFAOYSA-N 302.353 2.278 0 50 DEAA CC(C)C[C@@H]1CN(C)CCN1C(=O)c1ccc2[nH]ccc2n1 886602105 JZYAQORDACNPHJ-CYBMUJFWSA-N 300.406 2.365 0 50 DEAA COc1ccc(CNC(=O)NC[C@H]2CCCC(C)(C)O2)nc1 894460080 RWEIPFBQDJHWQG-CQSZACIVSA-N 307.394 2.237 0 50 DEAA CCCOc1cccc(NC(=O)c2[nH]nnc2[C@H]2CCCN2)c1 1775984829 MHOMHGKKBVSFOY-CYBMUJFWSA-N 315.377 2.270 0 50 DEAA CCc1cc(C(=O)OC)nn1-c1nnc(-c2ccccc2)n1C 899347533 XFGQISKBDUAQDZ-UHFFFAOYSA-N 311.345 2.017 0 50 DEAA Cn1c([C@H]2CCCN2Cc2csnn2)nc2c1CCCC2 275457977 GXWMFFMAAMGMSH-CQSZACIVSA-N 303.435 2.488 0 50 DEAA CC1(C)[C@@H](NC(=O)c2ccc(Br)s2)C[C@H]1N 397955523 DZGCBCUWZASMPD-SFYZADRCSA-N 303.225 2.366 0 50 DEAA C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(C)(CO)CC1 186969270 OTJYBTDCFNWHSY-GFCCVEGCSA-N 301.390 2.079 0 50 DEAA O=C(C1Cc2ccccc2C1)N1CCC[C@@H](C2OCCO2)C1 585079438 TZPXROWDVAENEZ-OAHLLOKOSA-N 301.386 2.013 0 50 DEAA CC(C)(C)C1CC(C(=O)NS(=O)(=O)c2ncccc2F)C1 408501015 OPBDIAICWYLSDM-UHFFFAOYSA-N 314.382 2.098 0 50 DEAA Cc1nn(CC(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)c(=O)o1 640426835 QHQKVIXAQVMDAY-CQSZACIVSA-N 315.373 2.145 0 50 DEAA CC(=O)c1cccc(COC(=O)c2cc3n(n2)CCCO3)c1 225466272 PIFVTBTVUNOMMQ-UHFFFAOYSA-N 300.314 2.225 0 50 DEAA COc1ccc2[nH]c(C(=O)N[C@@H]3CCC[C@]3(C)CO)cc2c1 225543205 WTDQPDCBPGDLOC-NVXWUHKLSA-N 302.374 2.457 0 50 DEAA CC1(C)Cc2cccc(C(=O)N[C@@H]3CCc4nccn4C3)c2O1 653608151 GUCXCECOJLUFAB-CYBMUJFWSA-N 311.385 2.341 0 50 DEAA CN(C)C(=O)c1cncc(NCCCCN2CCCCCC2)n1 1506407834 SDXDJLIJADVUPO-UHFFFAOYSA-N 319.453 2.247 0 50 DEAA CCn1nc(C)c(Cn2cnc3cccc(Cl)c3c2=O)n1 1473102907 ROQIQZHSWARMQW-UHFFFAOYSA-N 303.753 2.018 0 50 DEAA OCC(CO)NCc1sc2ccccc2c1Br 1615608547 LNDVXAJPJHCXPC-UHFFFAOYSA-N 316.220 2.107 0 50 DEAA COC[C@H]1CCN(Cc2nc(CCc3ccccc3)no2)C1 12387418 KWCQYFQHKZCWEW-HNNXBMFYSA-N 301.390 2.323 0 50 DEAA O=C(c1ccccc1)N1CCCn2c1nc1ccccc1c2=O 12900371 XGONERIQRAWMSF-UHFFFAOYSA-N 305.337 2.447 0 50 DEAA biogenic Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 16626085 NKOWYXIILGUBAN-UHFFFAOYSA-N 324.446 2.004 0 50 DEAA CCc1cccc(C)c1NC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 169293859 ZBZCASVMQIQUTN-MQYQWHSLSA-N 303.358 2.374 0 50 DEAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)Cc1ccc(OC)cc1 1857677756 CAPGNEPNVYGGKV-JCKWVBRZSA-N 317.385 2.482 0 50 DEAA OC[C@@H](O)Cn1ccnc1-c1ccc(CC(F)(F)F)cc1 1857705690 QPXKHJGKFSGIGC-LBPRGKRZSA-N 300.280 2.008 0 50 DEAA CCOc1cc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)ncn1 123094693 ADONLAPRELSHRG-CYBMUJFWSA-N 320.437 2.252 0 50 DEAA Cc1cc(S(=O)(=O)Nc2cnc3c(c2)COCC3)c(C)o1 328587067 MYCIKEBBMIMDML-UHFFFAOYSA-N 308.359 2.165 0 50 DEAA CCc1nnc(NC(=O)c2c[nH]c3ccccc3c2=O)s1 12421825 PFSZQZRNWMRZGJ-UHFFFAOYSA-N 300.343 2.194 0 50 DEAA FC(F)(F)c1nc(NCCN2CCCCC2)c2nc[nH]c2n1 252478524 AOWPIKLGYKPPKM-UHFFFAOYSA-N 314.315 2.270 0 50 DEAA CN(Cc1cscn1)C(=O)CCc1ccc(C(=O)O)cc1 262577344 DTQAAGWKDLFNRU-UHFFFAOYSA-N 304.371 2.433 0 50 DEAA O=C(O)c1ccc(C(=O)N2CC[C@@H](C3CCOCC3)C2)cc1 263558298 AEWXUBRGUZHPEJ-OAHLLOKOSA-N 303.358 2.274 0 50 DEAA CNC(=O)NCc1cn([C@@H](C)c2cccc(Cl)c2F)nn1 900571547 KMAPHIIGTXEUCR-QMMMGPOBSA-N 311.748 2.109 0 50 DEAA O=C(O)c1ccc2c(c1)CN(Cc1cc3c(cn1)OCCO3)C2 901647875 KRRSBZXBUWEJFU-UHFFFAOYSA-N 312.325 2.067 0 50 DEAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)c1coc(C2CCC2)n1 910206743 XGQVNXIPBDJFFB-CYBMUJFWSA-N 316.313 2.359 0 50 DEAA COc1c(C)nc(C2CC2)nc1N1CCC[C@@](C)(C(=O)O)C1 910314381 ZHVVBFWEQPZIHH-MRXNPFEDSA-N 305.378 2.362 0 50 DEAA Cc1ccc([C@H](O)[C@H](C)n2cc([C@@H]3CCCNC3)nn2)cc1 849151952 MJVGOZMJYFLCCS-YSVLISHTSA-N 300.406 2.348 0 50 DEAA Cc1ccc(OCCCn2cnc3c(N)nc(N)nc32)cc1C 1124137002 QRGURPUERVXRAG-UHFFFAOYSA-N 312.377 2.077 0 50 DEAA CCOC(=O)COc1ccc2c(C)cc(=O)oc2c1C(C)=O 452140 CYMUFCMKIAXEEW-UHFFFAOYSA-N 304.298 2.246 0 50 DEAA biogenic CC1(C)C[C@@](C)(C(=O)NCc2ccc3c(c2)OCCCO3)CN1 2325809048 AAWRSKTYDUNIGL-GOSISDBHSA-N 318.417 2.242 0 50 DEAA CCc1cc(F)ccc1C(=O)N1CCC2(CC1)CN(C)C(=O)O2 2325818040 SZBXVKRKKVDNCF-UHFFFAOYSA-N 320.364 2.445 0 50 DEAA Cc1cc(C(=O)N[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)nn1[C@H](C)C1CC1 923192286 LCYGEXWBRGQRLR-RMTQGBGSSA-N 317.389 2.002 0 50 DEAA Cc1ccc2nc3c(cc(C(=O)N4CCCCC4)n3C)c(=O)n2c1 2334017 XVXYDEYLGVRSHT-UHFFFAOYSA-N 324.384 2.121 0 50 DEAA COc1nc2c(cc1C(=O)N1[C@H]3CCC[C@@H]1C[C@H](O)C3)CCC2 2356135968 ANQBULOFVUKUOK-WDNDVIMCSA-N 316.401 2.097 0 50 DEAA COC(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1 7782812 CGMVPNUAQJXUFU-UHFFFAOYSA-N 324.380 2.470 0 50 DEAA Cc1nnc(SCCCNC(=O)c2cnccc2C)s1 55074460 WWYKIWNPRYZFDO-UHFFFAOYSA-N 308.432 2.462 0 50 DEAA N=C1NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1 9087558 BHOIPTNQHAYTAY-MRVPVSSYSA-N 317.292 2.200 0 50 DEAA COc1cc(OC)c(CN2CCOCC2)cc1Br 23281267 RZIBJNZPWRTDCH-UHFFFAOYSA-N 316.195 2.299 0 50 DEAA Cc1nn(C)c(C)c1CCC(=O)NC1CC(C)(C)NC(C)(C)C1 66780162 ZOQCVIGMVGVRNP-UHFFFAOYSA-N 320.481 2.395 0 50 DEAA CN(C)Cc1ccc(Oc2ccc(CS(C)(=O)=O)cn2)cc1 67983416 BSYVASUDNBHBLN-UHFFFAOYSA-N 320.414 2.480 0 50 DEAA O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1c1ncnc2cccc(F)c12 253394866 AYDBJIMBHRNLAC-KCPJHIHWSA-N 317.364 2.135 0 50 DEAA CN1CC[C@@H]2CCN(CCC(=O)Nc3ccc(F)cc3)[C@H]2C1 253417138 VIYCJVJKNSCSMJ-CJNGLKHVSA-N 305.397 2.180 0 50 DEAA COc1ccc(Br)c(Cn2nnc(C3CC3)n2)c1 285107499 JCTVSVLDLPNGGX-UHFFFAOYSA-N 309.167 2.370 0 50 DEAA O[C@H](CN1CC[C@@](O)(Cc2cccc(Cl)c2)C1)C(F)(F)F 253430231 XMHNNOMMFFDVQU-CHWSQXEVSA-N 323.742 2.243 0 50 DEAA O=C1CCCCN1[C@H]1CCCN(Cc2ccc(CO)cc2)C1 361051866 LJLDFZJSKQJVDM-KRWDZBQOSA-N 302.418 2.156 0 50 DEAA C[C@H]1OCCN(Cc2ccc(Cl)cc2Cl)[C@@H]1C(N)=O 284550031 HSWKZUWZQQVWFC-PELKAZGASA-N 303.189 2.068 0 50 DEAA Cc1oc2ccccc2c1C(=O)N(C)[C@H]1CCCCNC1=O 370390831 OFOSZNPNNFXGAZ-ZDUSSCGKSA-N 300.358 2.482 0 50 DEAA COCCc1nsc(N(C)Cc2cc(C(C)(C)C)n[nH]2)n1 444865203 MIYHDKSOJGGQCS-UHFFFAOYSA-N 309.439 2.384 0 50 DEAA COc1cccc(-n2cc(CNC(=O)c3ccccc3)nn2)c1 368838446 LUSFPFRBHSTCIY-UHFFFAOYSA-N 308.341 2.206 0 50 DEAA O=C(c1cnc2ccc(F)cc2c1)N1CC([C@@H]2CCOC2)C1 373424585 AYLQMDDDJWUWOP-LLVKDONJSA-N 300.333 2.482 0 50 DEAA Cc1cccc2c(CC(=O)N3CCCC[C@@H]3C(=O)O)c[nH]c12 237756807 RBAPUNZUZMJTIM-CQSZACIVSA-N 300.358 2.485 0 50 DEAA CC(C)OCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 262365743 WYJDSYZLSLYFCS-UHFFFAOYSA-N 305.374 2.056 0 50 DEAA COc1cc2c(cc1CN(C)C[C@@H]1CCCCO1)OCCO2 215493708 USHUCBRUONUSMR-AWEZNQCLSA-N 307.390 2.467 0 50 DEAA O=C(O)C1(Oc2ccccc2)CCN(C[C@H]2CCOC2)CC1 72408220 QUUSRPQZPDOLEZ-CQSZACIVSA-N 305.374 2.021 0 50 DEAA Cc1cc(O)cc(C)c1CN1CCC[C@]2(C1)CN(C)C(=O)O2 72418200 SGJZASHDCBRSCH-QGZVFWFLSA-N 304.390 2.426 0 50 DEAA Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C)ncc1C(N)=O 450000589 VMDHNGHGVQUNBB-GFCCVEGCSA-N 309.369 2.076 0 50 DEAA C[C@H]1CCOCCN1C(=O)CCc1nnc(-c2ccccc2)o1 375004019 LTXAUPZIHVBOFR-ZDUSSCGKSA-N 315.373 2.307 0 50 DEAA CC(C)c1ncsc1C(=O)N1c2ccccc2C[C@H]1C(N)=O 460082074 ZJDXKABVFMWEPV-LBPRGKRZSA-N 315.398 2.323 0 50 DEAA COCC[C@]1(C(=O)O)CCCN(c2ncnc3ccsc23)C1 71614089 ZIIZDXZZDBPQIX-OAHLLOKOSA-N 321.402 2.399 0 50 DEAA O=C(O)c1cnn(C2CCN(C(=O)[C@@H]3[C@H]4CCCC[C@H]43)CC2)c1 263179032 LLWNYNDEWIFHOJ-FICVDOATSA-N 317.389 2.181 0 50 DEAA CO[C@H](CN1CCC[C@@H]1[C@H]1COCC[C@@H]1O)c1ccccc1 338542092 KRBWCLVYNNPTNP-ZJPYXAASSA-N 305.418 2.236 0 50 DEAA COc1ccc([C@H](C)C(=O)Nc2c(C)ccn(C)c2=O)cc1 176096089 MRNSTNXAPATPHN-LBPRGKRZSA-N 300.358 2.445 0 50 DEAA CCn1cc(NC(=O)Cn2cc(C)c(-c3ccccc3)n2)nn1 48234120 ZAOOIQFIFKMYJI-UHFFFAOYSA-N 310.361 2.109 0 50 DEAA O=C(O)[C@H]1[C@@H](C(=O)N2CCc3ccccc32)[C@H]2C=C[C@H]1[C@@H]1C[C@@H]21 229836180 SAUZXUNTWRNGJU-OMDWYFEUSA-N 309.365 2.345 0 50 DEAA CO[C@@H]1O[C@H](C)[C@H](OC(=O)c2ccccc2)[C@H]2OC(C)(C)O[C@H]12 42378263 RTLLRDPZZTULOI-QPVMMRRFSA-N 322.357 2.123 0 50 DEAA COc1ccccc1-c1cc(CNC(=O)CCCC(=O)O)on1 426420047 MUKDZUFLSYTVNG-UHFFFAOYSA-N 318.329 2.221 0 50 DEAA COC(=O)N1CCCC[C@@H]1C(=O)NC1(c2ccccc2)CC1 223644811 VRCAEPVZHVTCBV-CQSZACIVSA-N 302.374 2.413 0 50 DEAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(OC(F)F)cc1 223683088 NSQSQBXATURSEW-CHWSQXEVSA-N 315.316 2.212 0 50 DEAA COc1ccc(CCCNc2cc([C@@H]3CCOC3)ncn2)cc1 426627650 IQWHDYHDQFUHEL-OAHLLOKOSA-N 313.401 3.034 0 50 DEAA Cc1nnc(CCNC(=O)[C@@H]2CCCN(C3CCCC3)C2)s1 95371002 YMGWCAKQTVQGKQ-CYBMUJFWSA-N 322.478 2.160 0 50 DEAA NC(=O)N1CCC[C@H](C(=O)NCc2csc3c2CCCC3)C1 91635377 IEEMNPPYOUTDGA-NSHDSACASA-N 321.446 2.034 0 50 DEAA CCCc1cc(C(=O)N2CCCC[C@H]2c2ccn(C)n2)[nH]n1 91859610 AHVFVCDWWLLVQI-HNNXBMFYSA-N 301.394 2.463 0 50 DEAA 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CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1Cl 952964634 AZAYHHJKAGZTNE-LLVKDONJSA-N 323.824 2.370 0 50 DEAA CCn1ccc(CC(=O)N2CC[C@@H]3CC[C@@]32c2cccnc2)n1 888831512 OJWWPDUWUJWRRJ-KSSFIOAISA-N 310.401 2.378 0 50 DEAA Clc1cc2c(N3CCC[C@H](c4nc[nH]n4)C3)[nH]cnc-2n1 1187497157 MGMWHJRADJFUCH-QMMMGPOBSA-N 303.757 2.065 0 50 DEAA O=C(Cc1ccsc1)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565510584 PKWXFDABQCQHAA-KBPBESRZSA-N 318.398 2.038 0 50 DEAA O=C(NCc1sncc1Br)OC[C@@H]1CCCO1 1365744997 XQEKTDKFMUZCKR-ZETCQYMHSA-N 321.196 2.311 0 50 DEAA CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 89157561 WLXNXPNLGQJYHI-OAHLLOKOSA-N 306.406 2.412 0 50 DEAA in-vitro N[C@H](C(=O)N1CCC[C@@H](N2CCCCC2)C1)c1ccccc1 167771060 QYDGHQIHFIUTIT-SJORKVTESA-N 301.434 2.163 0 50 DEAA Cc1ccsc1C(=O)N(CC1CC1)C[C@H]1CN(C)CCO1 275502119 AGELCVDYYJBOFK-CQSZACIVSA-N 308.447 2.239 0 50 DEAA CO[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 170619206 GSAIQPSDNYCYGI-GHMZBOCLSA-N 321.801 2.466 0 50 DEAA CC(C)n1cnc(S(=O)(=O)N2C[C@H](C)Oc3ccccc32)c1 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2.168 0 50 DEAA CN(C)CC1(CO)CCN(C(=O)CCCc2ccccc2)CC1 1772713032 ZSJNVGOYRCKWGZ-UHFFFAOYSA-N 318.461 2.172 0 50 DEAA OCC1(CO)[C@H]2CN(Cc3ccc(C4CCCC4)s3)C[C@H]21 1772816102 ICICPEGRMNWRGV-GASCZTMLSA-N 307.459 2.438 0 50 DEAA O=C(NC1CC1)[C@H]1CCCN(C2CCN(C3CCCC3)CC2)C1 12443680 NKSGUBNSCXUYEB-HNNXBMFYSA-N 319.493 2.384 0 50 DEAA Cc1ccc2nc(O)c(-c3nccn3[C@@H]3CNCC[C@H]3O)cc2c1 1857684726 ATUCOFDUATWMQB-HZPDHXFCSA-N 324.384 2.008 0 50 DEAA N[C@@H]1C[C@@H](C(=O)NCC2(c3ccccc3)CCCC2)CC[C@H]1O 1857726195 IRIZRTHRJHXWAR-USXIJHARSA-N 316.445 2.103 0 50 DEAA CCN1CCN(C(=O)c2ccc(Cl)o2)C[C@H]1c1ncc[nH]1 328642242 YIUUPSWOYQZQRJ-JTQLQIEISA-N 308.769 2.175 0 50 DEAA C[C@@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccncc1F 240551579 GUTYHEVWPRFIRJ-NOZJJQNGSA-N 303.341 2.382 0 50 DEAA CC(C)c1nnc2ccc(NC(=O)[C@@H]3CCn4cncc4C3)cn12 364843061 VREUMAUARPMTEE-GFCCVEGCSA-N 324.388 2.250 0 50 DEAA O=C(C1=CCCCO1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 365661013 PNZSAQLQZIAUQI-SFHVURJKSA-N 319.376 2.274 0 50 DEAA 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2.211 0 50 DEAA CC(C)(O)[C@@H](O)COc1c2ccoc2cc2oc(=O)ccc12 477939 PEWFWDOPJISUOK-ZDUSSCGKSA-N 304.298 2.050 0 50 DEAA biogenic,in-vitro COC(=O)[C@H]1C(=O)c2c([nH]c(C(=O)OC(C)C)c2C)C[C@@H]1C 1070569 KQXQDEKIQCKIGN-GZMMTYOYSA-N 307.346 2.052 0 50 DEAA CC1=CC2(CCN(C(=O)c3ccc4c[nH]nc4n3)CC2)OCC1 2356142570 XWKZVQLYBOFJNY-UHFFFAOYSA-N 312.373 2.299 0 50 DEAA O=C(c1ccc(-n2ccnc2)cc1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356148982 CLXGPTSQCNGNIX-FVQHAEBGSA-N 311.385 2.390 0 50 DEAA NC(=O)C1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1 4487195 RETWDJGRKBMKEH-UHFFFAOYSA-N 320.780 2.087 0 50 DEAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(C)c(OC)c(C)c1 344876080 MUVYGARNYVDVDJ-LSDHHAIUSA-N 307.390 2.188 0 50 DEAA C[C@H](CC1CCCCC1)NC(=O)N1CC[C@H](N2CCNCC2)C1 418100324 OQTLMFSRBMIBAA-WBVHZDCISA-N 322.497 2.034 0 50 DEAA Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCN(C)C2)cc1Cl 104748235 OIBKSLDWLIZIRD-GFCCVEGCSA-N 316.854 2.221 0 50 DEAA CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCC(=O)O 5820101 UIZLUZTVNFGFMX-TUVASFSCSA-N 300.395 2.139 0 50 DEAA in-vitro COc1ccc(-c2n[nH]cc2CN2CC[C@H]3CC[C@@H](C2)N3)cc1 67868139 MZPPCMGZVSZGQD-CVEARBPZSA-N 312.417 2.412 0 50 DEAA C[C@H]1CCCCN1CCN(C)Cc1ccc(O)c(C(=O)O)c1 67473120 GWQYHLYZIMKZJQ-ZDUSSCGKSA-N 306.406 2.397 0 50 DEAA O=C(c1cc(C2CC2)[nH]n1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 282642075 UELYGRXMHYHIKQ-XJKSGUPXSA-N 315.348 2.374 0 50 DEAA Cc1cnc(C(=O)N2CC[C@@H](c3sccc3C)[C@H](O)C2)cn1 65373672 OPBJNKUGULIZDK-TZMCWYRMSA-N 317.414 2.146 0 50 DEAA O=C(O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 488255 DSQWDJQXFPYPEK-HNNXBMFYSA-N 322.320 2.278 0 50 DEAA biogenic CCc1onc(C)c1C(=O)N(C)C[C@H]1CCn2ccnc2C1 328619161 FPIUIIBVRSORQT-LBPRGKRZSA-N 302.378 2.077 0 50 DEAA Cc1cc(CC(=O)N2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)no1 356358747 ZONDPIJDGMOTRL-CYBMUJFWSA-N 320.311 2.484 0 50 DEAA COc1ccc(C(=O)N(C)[C@H](C)c2ccncn2)c(OC)c1 219924794 VBHUQGPLLOJTNA-LLVKDONJSA-N 301.346 2.327 0 50 DEAA Cc1ccn(CC(=O)N2CCN(c3ccccc3C)C[C@@H]2C)n1 77337295 BVJYTJQJPJEBHC-INIZCTEOSA-N 312.417 2.237 0 50 DEAA O=C(c1cncc(Cl)c1)N1CCC(C(=O)N2CCCC2)CC1 77521517 DAQAMJWWPROHOZ-UHFFFAOYSA-N 321.808 2.210 0 50 DEAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)N[C@@H]4C[C@@](C)(OC)C4(C)C)[C@H]1[C@H]3C2 332836587 JAQYQIGCHUVFTD-JRHQDKNYSA-N 322.449 2.255 0 50 DEAA O=C(c1ccc2nc(S)oc2c1)N1CC[C@@]2(CCOC2)C1 154979470 RCMVAIQDLAZUGJ-OAHLLOKOSA-N 304.371 2.369 0 50 DEAA Cc1nc(CN2CCC(CNC(=O)COC(C)C)CC2)oc1C 363990679 AOLJTEVENAWZDN-UHFFFAOYSA-N 323.437 2.045 0 50 DEAA CC(C)(C(=O)Nc1cccc(-c2cn[nH]c2)c1)N1CCOCC1 367275294 TVNQLBCGINQZDH-UHFFFAOYSA-N 314.389 2.126 0 50 DEAA CC(C)NS(=O)(=O)c1cc(C(=O)O)cc(-c2ccncc2)c1 72166236 JXDCLUMEGTXLLE-UHFFFAOYSA-N 320.370 2.134 0 50 DEAA COc1cc2c(NCC34CCCN3CCC4)ncnc2cc1F 333460947 PNVUNFYXCLHHEH-UHFFFAOYSA-N 316.380 2.818 0 50 DEAA CCC[C@@H](C)N1CC2(CCN(C(=O)COCC)CC2)OC1=O 77555379 HUOMRJAJJDEHRG-CYBMUJFWSA-N 312.410 2.025 0 50 DEAA C[C@H]1C[C@@H](N)CCN1C(=O)c1ccn(-c2c(F)cccc2F)n1 237527734 AGYYQFJJKFYKBI-QWRGUYRKSA-N 320.343 2.102 0 50 DEAA Cc1ccn2ncc(C(=O)N3CC[C@@H](O)c4ccccc4C3)c2n1 378640075 WFWPCTCAZOITQI-MRXNPFEDSA-N 322.368 2.117 0 50 DEAA CC(C)Oc1ccc(C(=O)NCc2ccc(C(=O)O)o2)cn1 262163009 PJEBPWSWQAXPEM-UHFFFAOYSA-N 304.302 2.090 0 50 DEAA COc1ccc(C)cc1S(=O)(=O)N1CC(c2ccncc2)C1 72156017 MHWUBNXTLQEQLT-UHFFFAOYSA-N 318.398 2.187 0 50 DEAA O=C(c1cc[nH]c1)N1CCN([C@H]2CCc3ccccc3C2)CC1 72130821 DONKMUXFTOQNLM-SFHVURJKSA-N 309.413 2.330 0 50 DEAA CSCCNC(=O)N[C@@H](Cn1cccn1)c1ccccc1 610166105 OLKUHWADVDJLMK-AWEZNQCLSA-N 304.419 2.287 0 50 DEAA CC1(C)CN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CCS1 176460470 DTGWTQFRASRBQA-LBPRGKRZSA-N 304.415 2.466 0 50 DEAA COc1ccc(NC(=O)c2nnc([C@@H]3CCCNC3)s2)cc1 47218832 YSGBAUKINSCBPK-SNVBAGLBSA-N 318.402 2.266 0 50 DEAA CC(C)(C)OC(=O)N1CCN(Cc2ccc(CO)cc2)CC1 20230753 KLDBKWMXUMLYJO-UHFFFAOYSA-N 306.406 2.232 0 50 DEAA O=C(c1ccccc1NCC[C@@H]1CCCO1)N1CCC[C@@H]1CO 225534164 VRQRLWWZTHNFIZ-CABCVRRESA-N 318.417 2.265 0 50 DEAA CCc1nnc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3N2)s1 223104993 PVADXQHYGNDZKM-NSHDSACASA-N 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CCC(=O)N(C)c1ccccc1-c1nc([C@H]2C=CC=NC2=O)no1 2325762719 FTMVSBPKLIEGRR-GFCCVEGCSA-N 324.340 2.360 0 50 DEAA C[C@@H]1CC(=O)N[C@@H]1C(=O)N1CCCC[C@H]1Cc1ccccc1 2325767640 KDUFHMADXAKCMK-KMFMINBZSA-N 300.402 2.135 0 50 DEAA CCc1cnccc1C(=O)N1CC[C@H](C2CC(NC(C)=O)C2)C1 2325849541 SGYSUGQKDYBUGG-FHERZECASA-N 315.417 2.021 0 50 DEAA CN(C)Cc1cc(NC(=O)NCc2cc3ncccc3[nH]2)ccn1 2325860705 QFOCSHHTIUNZGS-UHFFFAOYSA-N 324.388 2.341 0 50 DEAA C[C@H]1CC(C)(C)N(C(=O)CN2C(=O)CCC2=O)c2ccccc21 169747 LRDUMSITDDADMB-LBPRGKRZSA-N 314.385 2.454 0 50 DEAA O=C(C[C@H](c1ccccc1)c1ccccc1O)N1CCNCC1 4350590 QGGRZRQJMKQISZ-QGZVFWFLSA-N 310.397 2.346 0 50 DEAA CN(c1ccc(C(=O)Nc2cccc(F)c2)cc1)S(C)(=O)=O 4689023 QEADIAHRESSUAW-UHFFFAOYSA-N 322.361 2.474 0 50 DEAA CCC(=O)Nc1ccc(C(=O)Nc2nnc(COC)s2)cc1 4740626 ACOXOUHUOKYJHD-UHFFFAOYSA-N 320.374 2.285 0 50 DEAA CC[C@@H]1COCCN1C(=O)N[C@H](C)[C@H]1COc2ccccc21 247247857 ZSSCUNUTNLXJKM-UMVBOHGHSA-N 304.390 2.372 0 50 DEAA O=C(c1cccc(-n2cnnn2)c1)N1CCCc2ccccc21 9763987 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biogenic,in-vitro NCc1ccc2nc(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)cn2c1 1647551690 BFMVISVDOCTZEG-HUUCEWRRSA-N 312.417 2.445 0 50 DEAA N=c1[nH]nc(N2CCC[C@H](c3nc4ccccc4o3)C2)s1 1857675577 DZUBWCPISQGPBG-VIFPVBQESA-N 301.375 2.476 0 50 DEAA COc1ccc(C)nc1N1CCC[C@@]2(C1)C(=O)Nc1cccnc12 1857679892 ZRKSVVUDHNKDGP-SFHVURJKSA-N 324.384 2.284 0 50 DEAA O=C(NCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCn2nccc2C1 1857721890 KTMMFQYTLKAWPS-CQSZACIVSA-N 321.384 2.152 0 50 DEAA O=C(O)[C@H]1CCCN1Cc1nc(-c2ccc(F)c(F)c2)no1 238102568 CSBMJIKJOVUDOB-LLVKDONJSA-N 309.272 2.064 0 50 DEAA Cc1nc([C@H]2CCCCN2C(=O)CC2(O)CCCCC2)n[nH]1 407980170 FVXWYWKPPZCCPS-CYBMUJFWSA-N 306.410 2.252 0 50 DEAA CC(=O)N[C@@H]1CCCN(Cc2ccc(C(=O)O)c(Cl)c2)C1 652389972 RTMAEZIYCTXLPX-GFCCVEGCSA-N 310.781 2.139 0 50 DEAA COc1ccc(C)cc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239433233 XKAKQQOHKFSFDM-LWWSYDQCSA-N 301.342 2.465 0 50 DEAA CN(Cc1nc(O)c2oc3ccccc3c2n1)c1ccn(C)n1 348379602 KERIGWRDGBFSSN-UHFFFAOYSA-N 309.329 2.452 0 50 DEAA C[C@@H]1Oc2ccccc2N(Cc2nc(-c3cocn3)no2)C1=O 350877056 IEQBVXDNRXJTSS-VIFPVBQESA-N 312.285 2.039 0 50 DEAA CCCC[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 252487763 IBGYQECYILIWHT-NWDGAFQWSA-N 312.435 2.338 0 50 DEAA CN1CC2(CN(Cc3ccccc3OCC3CC3)C2)OC1=O 496651215 PZHMDRXQNUOARS-UHFFFAOYSA-N 302.374 2.112 0 50 DEAA O=C(Nc1ccc(Cl)cn1)N[C@H](CO)Cc1ccccc1 163343756 GFEKXPLVEXDQKM-ZDUSSCGKSA-N 305.765 2.460 0 50 DEAA O=S(=O)(Nc1nnc(C2CCC2)o1)c1ccc(F)c(F)c1 903241299 MCPWBHATNSQCIU-UHFFFAOYSA-N 315.301 2.416 0 50 DEAA O=C(c1cc2ccccc2oc1=O)n1cc(Br)cn1 52678 JNGAODVEPDCLIO-UHFFFAOYSA-N 319.114 2.441 0 50 DEAA CN1CCC[C@H]1C(=O)Nc1ncc(Br)c2cc[nH]c12 2325814069 OSKQRYJMDICFIW-JTQLQIEISA-N 323.194 2.358 0 50 DEAA CCOc1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1 1367761 DXPWIKDRKKUGLC-UHFFFAOYSA-N 306.362 2.456 0 50 DEAA Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCCNC2)[C@H](C)CO1 246820229 SFALZMSMOAJHBX-VYDXJSESSA-N 302.418 2.283 0 50 DEAA CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 4732000 WEJKINNIVRIJHO-CYBMUJFWSA-N 304.365 2.437 0 50 DEAA COC[C@@H](C)NS(=O)(=O)c1cc(C(C)C)ccc1OC 6747457 OZNIQWAOWDTMEJ-LLVKDONJSA-N 301.408 2.132 0 50 DEAA C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccccc2)C1 10544097 BQZOCICZIMYZGT-HOTGVXAUSA-N 324.490 2.474 0 50 DEAA NC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1 247750667 SGEXYYLACPGUDX-SOUVJXGZSA-N 304.365 2.186 0 50 DEAA O=C(O)c1cccc(C(=O)NCCOc2ccc(F)cc2F)c1 345829258 OZMGYRJABLPPIP-UHFFFAOYSA-N 321.279 2.472 0 50 DEAA Cc1cnn(-c2ccc(C(=O)N3CCCC[C@@H]3C(=O)O)cc2)c1 136502401 JFZYOYVOCLASRT-OAHLLOKOSA-N 313.357 2.260 0 50 DEAA Cc1ccc2nc(CNC(C)(C)CN3CCOCC3)[nH]c2c1C 67697143 GSXANPJRCIWZDW-UHFFFAOYSA-N 316.449 2.380 0 50 DEAA C[C@@]1(C(=O)Nc2cn[nH]c2)CCCN(C(=O)c2ccccc2)C1 173083739 AMUUSAAZOKIPET-QGZVFWFLSA-N 312.373 2.291 0 50 DEAA O=C(c1ccc(F)cc1)c1c[nH]c(C(=O)NC[C@@H]2CCCO2)c1 1399041 UGOKJHOQMYPPRN-AWEZNQCLSA-N 316.332 2.294 0 50 DEAA COc1cccc([C@H]2C[C@@H](O)CN2c2ncnc(N)c2Cl)c1 283389013 DRQDRJHSMLAFDG-ZYHUDNBSSA-N 320.780 2.033 0 50 DEAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(Cl)cn1 173489755 YNUMDMRHWXQMAI-VIFPVBQESA-N 306.797 2.446 0 50 DEAA Cc1nc(C)c(CNC(=O)C2CCN(CC(F)(F)F)CC2)o1 330599339 BWFJKKJTLRRTMI-UHFFFAOYSA-N 319.327 2.182 0 50 DEAA Cc1cc(N[C@H](C(N)=O)c2ccccc2)n2nc(C)c(C)c2n1 72422546 PMUCMTSYHYHYOE-HNNXBMFYSA-N 309.373 2.293 0 50 DEAA O[C@H]1Cc2ccccc2[C@H]1NC1CCN(Cc2ccccn2)CC1 328593395 PBPJWOCREZOGES-VQTJNVASSA-N 323.440 2.294 0 50 DEAA Cn1cncc1CCC(=O)N1CCO[C@H](C2CCCCC2)C1 328586509 XBDVLQNEGRWNHW-INIZCTEOSA-N 305.422 2.160 0 50 DEAA CC1=CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)C1 328588908 YLOZMVFCXGMBAZ-OAHLLOKOSA-N 314.385 2.175 0 50 DEAA CC(C)n1c(S)nnc1CNC(=O)[C@]1(C)CCCS1 153648040 AZHJOALXGYEPOV-LBPRGKRZSA-N 300.453 2.050 0 50 DEAA CO[C@@H]1CCN(C(=O)c2sc([C@@H]3CCCOC3)nc2C)C1 328930917 ZITYDXYKMNNFAB-VXGBXAGGSA-N 310.419 2.206 0 50 DEAA CCn1c(C)nnc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 331632576 PUFQVLKEXFVPKI-LSDHHAIUSA-N 304.369 2.053 0 50 DEAA Cc1ccc2cc(C(=O)N3CCC[C@@H](c4nn[nH]n4)C3)ccc2n1 378296534 SCAFHNNVWKUXDT-CQSZACIVSA-N 322.372 2.076 0 50 DEAA Cc1nnc(CN(C)C(=O)COc2ccc(Cl)cc2C)o1 215423599 AFMFEUHPQYOVON-UHFFFAOYSA-N 309.753 2.377 0 50 DEAA Cc1nn(CC(F)F)c(C)c1C(=O)N(C)[C@H]1CCCOC1 340880408 BWNZURDHGDBEQP-NSHDSACASA-N 301.337 2.016 0 50 DEAA CC(=O)N[C@H]1CCCN(Cc2nn(C)c3cccc(Cl)c23)C1 215531277 GVSLUDMZTRBGJH-LBPRGKRZSA-N 320.824 2.327 0 50 DEAA CCn1ncc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c1C 39394897 VOUYYAMBTNCNRM-QGZVFWFLSA-N 322.497 2.126 0 50 DEAA O=C(NC[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccco1 216067045 UZNLMUBVWOZCGK-OAHLLOKOSA-N 312.369 2.101 0 50 DEAA CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1C 130907198 SQCGERZTHWWZSH-PBHICJAKSA-N 312.369 2.222 0 50 DEAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H]1CCCO1 130532369 YFXVCPZKWPPLOD-HNNXBMFYSA-N 302.374 2.349 0 50 DEAA CCc1nccn1CCCNC(=O)c1cc(C(C)C)nn1C 82138638 NCGBHZOVKJHBGH-UHFFFAOYSA-N 303.410 2.123 0 50 DEAA CC(C)[C@]1(C)NC(=O)N(CCc2ccc3c(c2)CCO3)C1=O 133868441 LUTLBBDAWBDMRL-KRWDZBQOSA-N 302.374 2.131 0 50 DEAA CC(C)(C)C[C@H](O)CC(=O)Nc1ccn(Cc2ccncc2)n1 291527881 NBEGHCBAXKUKGP-CQSZACIVSA-N 316.405 2.452 0 50 DEAA CC(C)Cc1ncc2c(n1)CN(C(=O)c1n[nH]c3c1CCC3)C2 426521593 YVVYATGSADMSIA-UHFFFAOYSA-N 311.389 2.043 0 50 DEAA COc1ccc2ccccc2c1-c1cn([C@@H](C)c2nnn[nH]2)nn1 82109580 CGDHQWNFOYEIAG-JTQLQIEISA-N 321.344 2.229 0 50 DEAA c1ccc2c(c1)ccn2CCNc1cc([C@@H]2CCOC2)ncn1 426684592 YHXBDMGQZIVLPL-OAHLLOKOSA-N 308.385 3.047 0 50 DEAA CCc1cnc(N)nc1NCCc1ccc(OC)cc1OC 91595803 ODRUZEATHBGGIC-UHFFFAOYSA-N 302.378 2.293 0 50 DEAA c1csc(-c2cn(Cc3noc(C4CCCC4)n3)nn2)n1 95371679 XOKVEPZUIUGQSJ-UHFFFAOYSA-N 302.363 2.491 0 50 DEAA N[C@H]1C[C@H](c2cc(NCCCn3ccnc3)nc(C3CC3)n2)C1 244734745 NLCXCVMJGNYGPY-HDJSIYSDSA-N 312.421 2.257 0 50 DEAA O=C(O)C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 244707863 KIWDBTUOHANCFV-QZPUYBJASA-N 311.337 2.010 0 50 DEAA COc1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)ccc1C 299741982 ANTSOFYOAADSJR-AWEZNQCLSA-N 321.373 2.100 0 50 DEAA O=C(N[C@H]1C[C@H](c2cc(O)ncn2)C1)c1cccc2c1NCCC2 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NC[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](C(=O)O)C1 242614853 PKPMAWHLBJUYDN-ZYHUDNBSSA-N 302.296 2.112 0 50 DEAA COC[C@@H]1CCN1C(=O)NCc1coc(-c2ccccc2)n1 297236093 MSABIANXHLWGJG-AWEZNQCLSA-N 301.346 2.272 0 50 DEAA COC[C@H]1CCN(C(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)C1 299741520 FMXFXKYNXNEKSX-QWHCGFSZSA-N 305.422 2.133 0 50 DEAA O=C(O)C[C@H]1CCCN(C(=O)CCOCC(F)(F)F)CC1 299745707 RZRMZJGQIHDPOE-JTQLQIEISA-N 311.300 2.059 0 50 DEAA CN(C)c1nc(=NCC2(COc3ccccc3)CC2)s[nH]1 534655932 XTVNFGWBXLQESL-UHFFFAOYSA-N 304.419 2.297 0 50 DEAA COCC1(CNS(=O)(=O)c2cccc(Cl)c2)CCC1 281850771 BCLLCMXTCMWLRM-UHFFFAOYSA-N 303.811 2.435 0 50 DEAA C[C@H](c1nc(-c2ccc(Cn3cncn3)c(F)c2)no1)N(C)C 923878976 ZWINBAUVIOFSOT-SNVBAGLBSA-N 316.340 2.138 0 50 DEAA CCS(=O)(=O)N(C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 874433092 DLNMKBNICRDMOQ-ZDUSSCGKSA-N 316.492 2.160 0 50 DEAA COc1ccc([C@@H](C)NCc2cnn3c2CN(C)CC3)c(F)c1 952889710 KWQPSJCYMVPVIH-GFCCVEGCSA-N 318.396 2.327 0 50 DEAA C[C@@H](CNCc1csc(N)n1)Cc1ccc2c(c1)OCO2 952861002 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O=C(Nc1ccccc1Cl)N1CCN(c2ncccn2)CC1 615306 WLPARELNAJKBCM-UHFFFAOYSA-N 317.780 2.484 0 50 DEAA CN(C)c1ncc2c(n1)[C@@]1(CCCN(C(=O)C3(C)CC3)C1)CC2 2356159000 HSCFOCMKWLNKFY-SFHVURJKSA-N 314.433 2.149 0 50 DEAA COC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O 4998789 ASMWDDSOZUNJSP-RYUDHWBXSA-N 324.808 2.470 0 50 DEAA CN1C(=O)/C(=C/c2cc(Br)ccc2O)N=C1S 6574790 GBDXUGGKXIVQKW-YVMONPNESA-N 313.176 2.253 0 50 DEAA COCC[C@@H]1CN(C(=O)COc2c(C)ccc(C)c2C)CCO1 55120566 OCKHRSZGMQWXCL-MRXNPFEDSA-N 321.417 2.255 0 50 DEAA CCCOc1ccccc1OCCOCCN1CCOCC1 20639324 VSLKYKPZUVXPTH-UHFFFAOYSA-N 309.406 2.203 0 50 DEAA Cc1nnc(N2CCN(c3nc4ccccc4o3)CC2)s1 170540445 FCBWMBLUGPRXRN-UHFFFAOYSA-N 301.375 2.314 0 50 DEAA CCSc1nc(CC(=O)NCc2c(C)n[nH]c2C)cs1 55387007 JCLIZFYJFGNWOB-UHFFFAOYSA-N 310.448 2.454 0 50 DEAA O=C(NCCCn1ccccc1=O)c1cccc(OC(F)F)c1 60792162 NKERUIMJSMQMQK-UHFFFAOYSA-N 322.311 2.270 0 50 DEAA CCCN(Cc1cccnc1)Cc1ccccc1OCC(N)=O 63835334 CIMLTHHFBKAWDD-UHFFFAOYSA-N 313.401 2.358 0 50 DEAA COc1ccc(F)c(CN2CCN(C(C)C)[C@@H](CCO)C2)c1 20600994 WVKRUXIPDYHSOY-HNNXBMFYSA-N 310.413 2.111 0 50 DEAA O=C([C@@H]1CCCN1c1nccs1)N1CCO[C@@H]2CCCC[C@H]21 230069589 GEROXVLTIXOLGT-HZSPNIEDSA-N 321.446 2.282 0 50 DEAA COCc1nc2n(n1)C[C@H](NCc1cccc3[nH]ccc13)CC2 151562104 XXWNGHYOCCUSIP-CYBMUJFWSA-N 311.389 2.010 0 50 DEAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1ccnn1C 328635789 VCZMFFPMIHLEPO-LLVKDONJSA-N 304.419 2.377 0 50 DEAA NCCc1nc(NCCC[C@H]2CCOC2)c2ccccc2n1 65399224 JTLBRJWXVAMJSK-ZDUSSCGKSA-N 300.406 2.360 0 50 DEAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cc1 83469 LIZVXGBYTGTTTI-CQSZACIVSA-N 305.355 2.099 0 50 DEAA Nc1ccc(C(=O)OCCCOC(=O)c2ccc(N)cc2)cc1 2504537 YPACMOORZSDQDQ-UHFFFAOYSA-N 314.341 2.255 0 50 DEAA biogenic O=C(O)CNC(=O)Cc1csc(-c2cccc(Cl)c2)n1 36357075 VENDQAUDVFSPCY-UHFFFAOYSA-N 310.762 2.207 0 50 DEAA CN(C)c1cccc(NC(=O)N2CCO[C@H](c3ccco3)C2)n1 152659228 DPWGGBJXKPHYBW-ZDUSSCGKSA-N 316.361 2.346 0 50 DEAA Cc1cn2cc(CNC(=O)CCc3cccnc3)nc2s1 215775323 XZGSOHDEHDHSEV-UHFFFAOYSA-N 300.387 2.348 0 50 DEAA CCc1nc(N)sc1C(=O)N[C@@H]1CC(=O)Nc2ccccc21 215293303 YRJZMYPISIHDBK-LLVKDONJSA-N 316.386 2.101 0 50 DEAA Cc1ccc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)c(=O)[nH]1 236732402 JHTYIYMQZDDEBM-INIZCTEOSA-N 313.401 2.237 0 50 DEAA CCO[C@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 363204581 FIWBPLZHOBOWMS-DOMZBBRYSA-N 320.389 2.050 0 50 DEAA CC(=O)c1ccc(N2CCN(Cc3c(C)cnn3C)CC2)cc1 215633349 UQHURAZSVZTKRG-UHFFFAOYSA-N 312.417 2.253 0 50 DEAA CCc1nc(C(=O)N2CCC[C@H]2c2ccc(COC)o2)no1 331379462 FSLOMYIMZVEKBG-NSHDSACASA-N 305.334 2.349 0 50 DEAA C[C@@H]1CCCCN1C(=O)CN1CCC(c2cnn(C)c2)CC1 364500245 BMUNGXJTLSMHNT-CQSZACIVSA-N 304.438 2.001 0 50 DEAA O=C(Nc1ccccc1-c1ccccc1)N1CC[C@H](O)[C@@H](O)C1 72463354 MMMIDUBLEZPDEI-IRXDYDNUSA-N 312.369 2.313 0 50 DEAA Cn1cnc2c(C(=O)Nc3c[nH]nc3-c3ccccn3)ccnc21 365873359 DHNZZMXDGCZABY-UHFFFAOYSA-N 319.328 2.006 0 50 DEAA CN(C(=O)c1ccnc(C(=O)O)c1)[C@@H]1CCc2ccccc2C1 237283854 BXPNJJLJCMVWGM-OAHLLOKOSA-N 310.353 2.409 0 50 DEAA C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)O)C1)c1ccccc1Cl 237594766 XWGPQJGGQQGZFN-VXGBXAGGSA-N 324.808 2.314 0 50 DEAA Cc1ccc2nc(CN3CCC[C@H](N4CCCC4=O)C3)cn2c1 72127103 NHZDIXKJJVYVAE-INIZCTEOSA-N 312.417 2.230 0 50 DEAA Cc1cc(C(=O)N(CCC(=O)O)C2CCOCC2)sc1C 237672341 FDSIDVRMGRRTCX-UHFFFAOYSA-N 311.403 2.461 0 50 DEAA C[C@@H]1CC[C@H](CCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O)O1 263409148 GQOOQAFNGWOCKZ-BMFZPTHFSA-N 319.401 2.488 0 50 DEAA CN(C[C@H]1CCCCO1)C(=O)c1cnc(-c2ccccn2)nc1 71749024 QOEWVQCBJOTLTF-CQSZACIVSA-N 312.373 2.180 0 50 DEAA Cc1ccsc1C(=O)N1CCC(n2cc(C(=O)O)cn2)CC1 263131211 HNXLYCJGPHFJOJ-UHFFFAOYSA-N 319.386 2.429 0 50 DEAA CCn1cc(NC(=O)N(C)[C@H](CO)c2ccccc2)ccc1=O 454288054 HYYVNISHFDFUHQ-OAHLLOKOSA-N 315.373 2.066 0 50 DEAA Cc1ccoc1C(=O)NCCCN[C@@H]1C[C@H](C)N(C)C[C@H]1C 241338635 MCQGHMBTQUPYTM-QLFBSQMISA-N 307.438 2.026 0 50 DEAA Cc1nc(N(C)C[C@H]2CCN(CC(C)C)C2)c2cnn(C)c2n1 72159310 JWYJVZJVWQJTQR-CQSZACIVSA-N 316.453 2.086 0 50 DEAA C[C@@H]1COCC[C@H]1NCCS(=O)(=O)c1ccc(Cl)cc1 192126035 LCRGDTAYOHWKPB-BXUZGUMPSA-N 317.838 2.128 0 50 DEAA O=C(c1nc(O)c2ccccc2n1)N1CCC[C@H](c2ncc[nH]2)C1 95500985 MHFPCHYRIDLZJM-NSHDSACASA-N 323.356 2.078 0 50 DEAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cccn2C2CC2)on1 96149987 GBUADPXQEIKALC-DOMZBBRYSA-N 315.373 2.107 0 50 DEAA O=C(NCCN1CCCCC1)[C@@H]1CCOc2ccccc2C1 95518230 XMBIYRGRIORDDD-MRXNPFEDSA-N 302.418 2.230 0 50 DEAA Cc1ccc(C)c([C@H](C)NC(=O)CN(C)Cc2ncc[nH]2)c1 244874160 WVPMKESHLMNHMW-AWEZNQCLSA-N 300.406 2.336 0 50 DEAA CC1(C)CCC[C@]2(C)C[C@H](CC(=O)NCCO)[C@](C)(O)C[C@H]12 245312270 SISCKMLKKGJVGI-MJSCVDMRSA-N 311.466 2.479 0 50 DEAA CC[C@H](N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 299740439 ZXDCBTPDACODDQ-XIRDDKMYSA-N 303.450 2.093 0 50 DEAA Cc1nonc1CN1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 670456182 UUQODEYMANFTFU-SJORKVTESA-N 312.417 2.474 0 50 DEAA Cc1oc(C(C)C)cc1C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685941722 HITHHGYBIZJHTF-DZGCQCFKSA-N 319.361 2.011 0 50 DEAA CC(C)Nc1cccc(CNC(=O)C23CC(C(=O)O)(C2)C3)c1 1875270812 HUHGPHLPZFRQKU-UHFFFAOYSA-N 302.374 2.378 0 50 DEAA CC(=O)NC[C@@H]1CCC[C@H](Cn2cc(-c3nccs3)nn2)C1 1875323498 JWEICCYAPXZJQL-OLZOCXBDSA-N 319.434 2.344 0 50 DEAA COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(N)nn2)c(F)c1 888077193 RMLMEMKTHACABW-CQSZACIVSA-N 316.336 2.184 0 50 DEAA Nc1n[nH]c([C@H]2CCCN(C[C@H]3CCC4(CCCC4)O3)C2)n1 888096317 ALTIPFSYZLATNM-QWHCGFSZSA-N 305.426 2.058 0 50 DEAA COc1ccc(CNC[C@H]2CCO[C@@H]2c2cn[nH]c2)cc1F 888078057 JJJGPKZJNQVUKY-WBMJQRKESA-N 305.353 2.425 0 50 DEAA O=C(Nc1c(Cl)cccc1Br)[C@H]1COCCO1 1775998543 YOOFYYGYYUHMPO-SECBINFHSA-N 320.570 2.456 0 50 DEAA C[C@@H]([C@@H](F)C(=O)NCc1ncc(Cl)n1C)C(F)(F)F 1775989348 LGVBMQNTQNNOIN-YLWLKBPMSA-N 301.671 2.226 0 50 DEAA CO[C@H]1COCC[C@@H]1NC(=O)CCSCc1ccccc1 1565530361 DIZKBBIKQHXTNN-GJZGRUSLSA-N 309.431 2.230 0 50 DEAA CC[S@](C)(=O)=NS(=O)(=O)N(C)[C@H](C)c1ccc(F)cc1 583652100 YIHGNIPNWKJCQN-DGIBIBHMSA-N 322.427 2.181 0 50 DEAA C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1csc(C2CC2)n1 169985234 WPMGZNFMHVRGCM-MWLCHTKSSA-N 319.430 2.209 0 50 DEAA CN(C)CCN(Cc1cccs1)C(=O)Nc1ccncn1 170089819 FATZSELSHIILNC-UHFFFAOYSA-N 305.407 2.134 0 50 DEAA COc1ccc(-c2noc(CN(C)[C@@H]3CCSC3)n2)cn1 170604050 IQBUNKKQQSGAPS-LLVKDONJSA-N 306.391 2.078 0 50 DEAA CN(C)c1ccnc(C(=O)N2CCCC[C@H]2c2ccnn2C)c1 281420907 XROYZMIJZZNHGT-INIZCTEOSA-N 313.405 2.249 0 50 DEAA O=C(N[C@H]1CCOc2c(F)cccc21)N[C@@H]1CCC[C@@H]1CCO 225513678 VFDBUIRBSZRMPT-DFBGVHRSSA-N 322.380 2.500 0 50 DEAA CCOC(=O)[C@]1(C(C)C)CCN(c2ncnc3onc(C)c23)C1 192552789 BYNCEXJMBCDORF-MRXNPFEDSA-N 318.377 2.342 0 50 DEAA O=C([C@@H]1CCc2ncncc2C1)N1CC[C@H](Cc2ccncc2)C1 648351425 VSDIWNKTWDVCTE-HZPDHXFCSA-N 322.412 2.068 0 50 DEAA C[C@@H](NC(=O)c1nn[nH]c1-c1ccccc1)C(C)(C)CN(C)C 194197830 XXTXUOVWLGEFSG-GFCCVEGCSA-N 315.421 2.178 0 50 DEAA Cc1nc(C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3)CC2)no1 195542355 ZLRFVKDYSSOPHZ-ILXRZTDVSA-N 318.421 2.005 0 50 DEAA Cc1nn(-c2ccccc2Cl)cc1CN1CC(=O)N[C@@H](C)C1 656262540 NPUVTKYGDBSGHD-NSHDSACASA-N 318.808 2.154 0 50 DEAA Cc1ccc([C@@H](O)CN2CCn3c(nnc3C(F)F)C2)c(C)c1 1615001839 ZBTICAYZNKYZJU-ZDUSSCGKSA-N 322.359 2.382 0 50 DEAA CO[C@@H](C)CCC(=O)N1CCC(CN)(c2ccccc2)CC1 1615552387 DPACKOHKFNNRTC-HNNXBMFYSA-N 304.434 2.321 0 50 DEAA COC(=O)[C@H](CC(C)=O)c1cc(=O)oc2c(C)c(OC)ccc12 1775970786 CRXHNZNGSCQBEZ-CYBMUJFWSA-N 318.325 2.346 0 50 DEAA OC1CCN(Cc2nc(Cc3ccccc3Cl)no2)CC1 13636824 YFTFHMCBRBUUDO-UHFFFAOYSA-N 307.781 2.271 0 50 DEAA CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCOC 16647420 SOZDIUSDJYAQQO-UHFFFAOYSA-N 321.826 2.362 0 50 DEAA Cc1ccc(CNC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)n1C 1857529615 NREQEAUHQXHOCJ-NEPJUHHUSA-N 316.405 2.019 0 50 DEAA C[S@@](=O)Cc1noc(-c2ccn(-c3c(F)cccc3F)n2)n1 356961350 KJCLDOIDTSOWNE-JOCHJYFZSA-N 324.312 2.079 0 50 DEAA C[C@H](NC(=O)N1CC[C@H](N)C1)c1cccc(OC(F)(F)F)c1 417861035 XAJRENRBYPLKPU-ONGXEEELSA-N 317.311 2.389 0 50 DEAA CC(=O)N(Cc1ccc(NC(=O)C2(C(=O)O)CC2)cc1)C(C)C 118976677 HLSMDYQSFDDTTE-UHFFFAOYSA-N 318.373 2.247 0 50 DEAA CC(C)c1nccc(N[C@@H]2CCC(O)=N[C@H]2c2cnn(C)c2)n1 328637903 WBPDTWXATJBGHO-DOMZBBRYSA-N 314.393 2.606 0 50 DEAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(C)(C)C(F)F)CC2 253421580 YLQJNKSRPMLFPA-MNOVXSKESA-N 305.365 2.056 0 50 DEAA COc1ccc(CCNC(=O)[C@@H]2NCCCC2(C)C)cc1OC 261902630 PCQHWZQPJJCOFC-INIZCTEOSA-N 320.433 2.141 0 50 DEAA C[C@H]1CC2(CO1)CC(NC(=O)C13CCC(C(=O)O)(CC1)CC3)C2 907984090 PDZVHLOODUZLHH-GYKWRPCBSA-N 321.417 2.485 0 50 DEAA O=C(C[C@H]1CCCC1(F)F)NCc1ccc(-c2nn[nH]n2)cc1 932279484 KDBWNKGFGUDOBC-GFCCVEGCSA-N 321.331 2.308 0 50 DEAA O[C@H](CN1C[C@@H](O)[C@H](Cc2ccccc2)C1)c1ccccc1F 934442100 XMLSLUDKIWFKTD-ATZDWAIDSA-N 315.388 2.395 0 50 DEAA CSC(C)(C)[C@H](N)C(=O)N[C@H]1C[C@H](OCc2ccccc2)C1 2100540121 DWIPBMQTDYYEGD-RBSFLKMASA-N 322.474 2.319 0 50 DEAA Cn1nnc(C(=O)N[C@@H](c2ccccn2)C2CCC2)c1C(F)F 2325792865 RIONFVOGDYZCCV-LLVKDONJSA-N 321.331 2.419 0 50 DEAA Cc1ccc([C@H](N)CNC(=O)c2ccn(-c3ccncc3)n2)cc1 2325856112 BETBXOMXEQJRFJ-MRXNPFEDSA-N 321.384 2.006 0 50 DEAA COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1 102186056 LWAHMGRMSPTPKF-MISXLKTNSA-N 319.357 2.389 0 50 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300.402 2.259 0 50 DEAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCCc1ccc(F)cc1 100558383 OECIMCWMCSINEQ-VIRABCJISA-N 305.349 2.231 0 50 DEAA CC(C)C(=O)N1CCC(NC[C@@H]2CCCN3CCCC[C@H]23)CC1 65371057 VJNAXWMEMMQVGG-FUHWJXTLSA-N 321.509 2.488 0 50 DEAA COCC(=O)NC[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 67817904 PFPUAGFVHLXRKV-CQSZACIVSA-N 315.417 2.143 0 50 DEAA c1cn2c(-c3noc(-c4ccn5ccnc5c4)n3)cnc2cn1 350851934 YJIFOXSBUWGJBF-UHFFFAOYSA-N 303.285 2.094 0 50 DEAA C[C@@H]1OCC[C@@H]1NC[C@H](c1cccc(Cl)c1)N1CCOCC1 230207777 JRWACZMLBCDHRU-RRQGHBQHSA-N 324.852 2.480 0 50 DEAA CC(C)n1cc(C(=O)NC[C@@H](CO)Cc2ccsc2)cn1 215808444 XIBVSFBNWUSPQA-ZDUSSCGKSA-N 307.419 2.107 0 50 DEAA Cc1nn(C)cc1CCC(=O)Nc1ccc2nc(S)[nH]c2c1 121801483 FZZAPCXFCNSOLY-UHFFFAOYSA-N 315.402 2.465 0 50 DEAA CC(C)(C)OC(=O)NCCC(=O)Nc1cccc2nonc12 282917817 NPAWNTVJZJTJLM-UHFFFAOYSA-N 306.322 2.076 0 50 DEAA Cc1cc(C)n([C@H]2CCN(C(=O)CSc3ccncc3)C2)n1 218987201 JIRVLYBQYSOFHM-AWEZNQCLSA-N 316.430 2.461 0 50 DEAA 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310.401 2.056 0 50 DEAA COC(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 253531031 YIOZSDQZKFERKL-HAQNSBGRSA-N 316.357 2.082 0 50 DEAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cncn1 252494040 NJFDFXMKGSBGGN-UHFFFAOYSA-N 309.391 2.346 0 50 DEAA O=C(O)c1ccccc1OCCN1CCC[C@@H](c2ccn[nH]2)C1 183916260 PYYGTCDHGGLFJF-CYBMUJFWSA-N 315.373 2.366 0 50 DEAA COc1ccc(CCCCC(=O)N2CC[C@H](C(=O)O)C2)cc1 299741608 GURYJZIHURGQIC-AWEZNQCLSA-N 305.374 2.341 0 50 DEAA O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)C1(O)CCC1 184812799 KZGHZZYVFUYMPE-GFCCVEGCSA-N 308.809 2.340 0 50 DEAA Cc1ccc(C2(O)CCN(Cc3nnc(C)s3)CC2)nc1 299762256 SNSXBAAISOGKQG-UHFFFAOYSA-N 304.419 2.034 0 50 DEAA O=C(c1cccnc1Cl)N1CCN[C@H](Cc2ccccc2)C1 1150929300 UBHRCYXXHHLVST-CQSZACIVSA-N 315.804 2.392 0 50 DEAA CN(CCS(=O)(=O)c1ccccc1)C[C@H]1CCN(C)C1(C)C 670428831 OZXCEIHOILLTQM-OAHLLOKOSA-N 324.490 2.122 0 50 DEAA CCn1ncnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1875275404 MKOYVDSAGBIYSD-UHFFFAOYSA-N 319.434 2.067 0 50 DEAA Cc1nc(N[C@@H](CO)Cc2ccccn2)cc(-c2ccccn2)n1 1875264043 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CC(C)CCNC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621191 DDIRUPRZLAIQGK-UHFFFAOYSA-N 300.358 2.039 0 50 DEAA biogenic CCn1ncc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c1C 20601316 VOUYYAMBTNCNRM-KRWDZBQOSA-N 322.497 2.126 0 50 DEAA CCCCn1ccc2c(cnc3nc(-c4ccncc4)nn32)c1=O 67630782 DDQHPYDFBHYIEB-UHFFFAOYSA-N 320.356 2.301 0 50 DEAA O=C(O)[C@@H]1CCC(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(F)c1 229538059 KGMULEUZKCZJJS-IIAWOOMASA-N 321.348 2.369 0 50 DEAA CCc1oc(C(=O)NCc2nnc(C)o2)cc1CN(CC)CC 63857061 SKDAACJVZUKSTH-UHFFFAOYSA-N 320.393 2.305 0 50 DEAA C[C@H](CN1CCC2(CC1)C(=O)NCCCN2C)c1ccccc1 67956208 IRMWVPGVEYULGP-MRXNPFEDSA-N 315.461 2.076 0 50 DEAA Cc1nc(C)c(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)o1 331585535 LNRRAPGGCVIKQW-ZIAGYGMSSA-N 304.321 2.379 0 50 DEAA Cc1cccc2c1O[C@H](C(=O)NC[C@@]1(O)CCCC1(C)C)C2 331765310 DDEBRMHOGRELOE-KSSFIOAISA-N 303.402 2.356 0 50 DEAA CCCc1occc1C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 253395588 NJWVCAJJUGRAQN-CYBMUJFWSA-N 316.405 2.364 0 50 DEAA C[C@H](C(=O)N(C)C)N(C)Cc1cnc(C2CCCCC2)nc1 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O=C(NCCC1=CCCC1)c1cc(N2CCOCC2)ccn1 132913899 DOZNRUJTRLNVRX-UHFFFAOYSA-N 301.390 2.148 0 50 DEAA CCC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)O)C2)cc1 263465979 GFMUAQZNXOOPFN-NSHDSACASA-N 319.361 2.364 0 50 DEAA Cc1ccc([C@H](C)NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c(C)c1 239254628 YNTFPZKHCJCOIL-CWCFIDOXSA-N 317.385 2.359 0 50 DEAA CN1CCCCC[C@@H]1C(=O)NCCc1noc(C2CCCC2)n1 95391404 NRCCXONCGYMJNU-CQSZACIVSA-N 320.437 2.260 0 50 DEAA CO[C@H](CNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1)C(C)(C)C 181029952 YBMOUFAUCUFOLU-TZMCWYRMSA-N 308.426 2.360 0 50 DEAA Cc1nc2ccc(C(=O)N3CCc4n[nH]cc4C3)cc2nc1C 91643699 KMRLLJRIWCDHHE-UHFFFAOYSA-N 307.357 2.168 0 50 DEAA C[C@@H](c1ccon1)N(C)C(=O)Cn1ccc2ccccc2c1=O 95520233 JBUFYIROYQKJJL-LBPRGKRZSA-N 311.341 2.209 0 50 DEAA COCC[C@]1(O)CCN(C(=O)c2ccc(OC)cc2C)C[C@H]1C 91603652 ZPDTXIWTJZVFBE-RDTXWAMCSA-N 321.417 2.253 0 50 DEAA CN(Cc1n[nH]c2c1CCCC2)[C@H](C(=O)O)c1ccc(O)cc1 95387613 ICTRNMFLSJBPOD-INIZCTEOSA-N 315.373 2.252 0 50 DEAA C[C@H](NCC(=O)NC(N)=O)c1ccc(Oc2ccccc2)cc1 181815693 YJENULJIKXCNTH-LBPRGKRZSA-N 313.357 2.324 0 50 DEAA CCCN1CCC(c2nnc(Cn3ccnc3C)n2CC)CC1 91769012 VMXPGRHJVGBFIK-UHFFFAOYSA-N 316.453 2.441 0 50 DEAA CNc1ccccc1C(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 298261525 GMNYIZHMEZGQOZ-OAHLLOKOSA-N 315.417 2.105 0 50 DEAA O=C(Cc1csc(-c2ccccn2)n1)NCCn1cccc1 342734469 LBTICAJNBVGDAV-UHFFFAOYSA-N 312.398 2.366 0 50 DEAA O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1ccn2ccnc2c1 299746074 VDWMAFWZWAUEFS-DOTOQJQBSA-N 322.368 2.379 0 50 DEAA CC(C)CCc1cc(C(=O)N[C@@H](CO)Cc2ccccc2)n[nH]1 252506877 WCHFDGFQTKDNNP-MRXNPFEDSA-N 315.417 2.332 0 50 DEAA CCc1ccc(S(=O)(=O)NC[C@@H](C)n2cc(C)cn2)s1 534578523 ZAQHEOAZHVPXQH-LLVKDONJSA-N 313.448 2.355 0 50 DEAA CNCc1nnc(NCC[C@@H]2CCN(Cc3ccccc3)C2)o1 723983212 QEDXPOVHTNLJTD-OAHLLOKOSA-N 315.421 2.113 0 50 DEAA Cc1nsc(C)c1CN1CCC(NC2CCOCC2)CC1 952884328 YDHXUKPUYKXEJP-UHFFFAOYSA-N 309.479 2.493 0 50 DEAA O=C(c1cnn2ccncc12)N1CC=C(c2cccnc2)CC1 1875258304 XPFJAZPCMIMUKA-UHFFFAOYSA-N 305.341 2.054 0 50 DEAA CC(C)[C@@H](O)[C@H](C)N=c1nc(-c2ccncc2)[nH]c2c1CCC2 1875299698 SRJOXYUUDMWJPH-BLLLJJGKSA-N 312.417 2.267 0 50 DEAA O=C(O)c1cncc(C(=O)N[C@@H](c2ccccn2)C2CCC2)c1 1875303980 VMZHZBYRUSAHIV-OAHLLOKOSA-N 311.341 2.446 0 50 DEAA CCc1noc(C)c1Cn1cc([C@@H]2OCCC[C@H]2C(=O)O)cn1 888076568 TUGYKDGIQZJHKE-DOMZBBRYSA-N 319.361 2.343 0 50 DEAA CC[C@@H]1OCC[C@H]1C(=O)N1CCC(CN)(c2ccccc2)CC1 1775726879 OAOZFQKWPPLOGT-SJORKVTESA-N 316.445 2.321 0 50 DEAA COc1ccccc1N1CCC(N[C@H]2C[C@H]3OCC[C@@H]23)CC1 1565513619 QLCQHCKWHAAWRN-RLFYNMQTSA-N 302.418 2.431 0 50 DEAA CN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Cl)ncc21 95803143 AHJZAWIFZSBGKJ-UHFFFAOYSA-N 316.739 2.491 0 50 DEAA in-vitro O=C(NCC1CC1)[C@H]1CCCN(c2ccnc(C3CC3)n2)C1 169983644 RRALYCIBHFPXOW-AWEZNQCLSA-N 300.406 2.097 0 50 DEAA CSc1nn(Cc2c(F)cccc2Br)c(=O)[nH]1 170610390 KBQZPLXHLFWPML-UHFFFAOYSA-N 318.171 2.243 0 50 DEAA Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCN[C@H](C)C1 188456905 DTCGXONNPAXQKY-LLVKDONJSA-N 318.808 2.268 0 50 DEAA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccnc2ccccc12 189063477 PMGKLMHFZSSZAS-INIZCTEOSA-N 311.385 2.222 0 50 DEAA Cc1nnc(CC(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)o1 189850128 LHQAGNXOAAJNMG-MRVPVSSYSA-N 307.737 2.388 0 50 DEAA CCS[C@@H](C)c1noc(CN(C)Cc2ccnc(N)c2)n1 193405634 CUXWRNXWXQOTTL-JTQLQIEISA-N 307.423 2.493 0 50 DEAA O=C(N[C@@H](Cc1ccncc1)C(=O)O)c1cccc(C2CC2)c1 655597325 PSIWQRZSNZXFCB-INIZCTEOSA-N 310.353 2.385 0 50 DEAA CC(C)(C)c1cc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)no1 659204735 ZQEAPGJYMMMRPX-UHFFFAOYSA-N 320.349 2.241 0 50 DEAA CCCc1cc(C(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)no1 583244917 PDQQUCJZBDAXFY-MLGOLLRUSA-N 308.378 2.037 0 50 DEAA O=C(c1cc(F)c(F)c(F)c1F)N1CC[C@@H](N2CCC2)C1 585127538 CPMBFZNUXRXLID-MRVPVSSYSA-N 302.271 2.163 0 50 DEAA O=C1CC[C@@H](Cc2nc(-c3ccc(Br)cc3)no2)N1 585133622 NRXFVELWZDRRSA-JTQLQIEISA-N 322.162 2.320 0 50 DEAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CC[C@H](c2cc(O)nc(O)n2)C1 585127038 OQHMQGGCUQJACQ-CYDGBPFRSA-N 317.389 2.030 0 50 DEAA Cc1cc(=NCCCN2CCC[C@@H](O)C2)c2cc(F)ccc2[nH]1 1529113783 ITLIMYLAWPVMJP-OAHLLOKOSA-N 317.408 2.363 0 50 DEAA CCc1c(C)nn(C)c1NC(=O)c1scc2c1OCCO2 1529150877 AWILMLPDMBBSSJ-UHFFFAOYSA-N 307.375 2.376 0 50 DEAA O=C(O)c1cccc(C(=O)Nc2nc(CC3CC3)ns2)c1 1616044599 ZGRXSJCSJUNFPS-UHFFFAOYSA-N 303.343 2.441 0 50 DEAA COc1ccc(CN(C)CC[C@@H]2COCCO2)c2cccnc12 1775984149 ZUHPIQJKYZKKJR-OAHLLOKOSA-N 316.401 2.481 0 50 DEAA CCCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1 12420552 CRFWZKPLKOTUJR-UHFFFAOYSA-N 317.370 2.457 0 50 DEAA Cc1cc(=O)[nH]c2c(C)cc(S(=O)(=O)NCC(C)(C)C)cc12 12445792 KMUBFWRFBWHYOY-UHFFFAOYSA-N 322.430 2.469 0 50 DEAA CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CCOC[C@]3(CO)C2)cc1 1857668925 VQGHJHIMGFKITH-QFBILLFUSA-N 317.429 2.455 0 50 DEAA CCCCn1nc(-c2ccccn2)nc1[C@@H]1CCc2ncnn2C1 1857697450 APFDLQSTEOPRSB-CYBMUJFWSA-N 323.404 2.462 0 50 DEAA CCCCc1nc(-c2nccn2Cc2nc(O)n[nH]2)c(Cl)[nH]1 1857714628 ZLYYLBGOODJPBU-UHFFFAOYSA-N 321.772 2.141 0 50 DEAA N[C@H]1C[C@H](C(=O)NCC(c2ccccc2)c2ccccc2)C[C@@H]1O 1857716795 FHKJYERPXUIVIF-WDSOQIARSA-N 324.424 2.033 0 50 DEAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCC(Cn2cccn2)CC1 408474461 YOGDLRHVOIVILS-CVEARBPZSA-N 305.422 2.327 0 50 DEAA CCOc1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Cl 2702331 FNQQARMNALLFFI-JTQLQIEISA-N 319.810 2.196 0 50 DEAA CCc1cc(N2CCC(NC(=O)C[C@@H](C)SC)CC2)ncn1 126715115 QONYHYJLHSCZFA-GFCCVEGCSA-N 322.478 2.266 0 50 DEAA Cc1cn(CC(=O)N2CC[C@](C)(C(=O)O)C2)c2ccccc12 237784829 BFTPDYZDUFFVQW-KRWDZBQOSA-N 300.358 2.273 0 50 DEAA O=C(c1cc(O)cc(O)c1)N1CCCN(c2ccccc2)CC1 133948898 QYGHLIFCELDDPC-UHFFFAOYSA-N 312.369 2.450 0 50 DEAA C[C@H]1COCCN(Cc2ccc(Cl)cc2-n2cncn2)C1 373419455 VJYFOWNAJJAXNF-GFCCVEGCSA-N 306.797 2.389 0 50 DEAA O=C(CCc1ccc2[nH]ccc2c1)N1CCC[C@@](F)(CO)C1 376517623 KTEWENOSPXNKOL-KRWDZBQOSA-N 304.365 2.424 0 50 DEAA COC(=O)[C@H](N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C1CC1 494506318 QEGKQUOFGGFDGY-RRFJBIMHSA-N 311.328 2.336 0 50 DEAA COc1cnc(N2CCC[C@@]3(CCc4cnc(C)nc43)C2)nc1 1704307532 JFJJGCAUKRXPHM-QGZVFWFLSA-N 311.389 2.068 0 50 DEAA Cn1cnnc1[C@H]1CCCN1C(=O)c1ccnc(-c2ccco2)c1 935185276 WEJYZAQUOKQCCG-CQSZACIVSA-N 323.356 2.447 0 50 DEAA O=S(=O)(NCC[C@@H]1CCNC1)c1c(Cl)cccc1Cl 110797736 OXSZZFGFTPZAMT-VIFPVBQESA-N 323.245 2.271 0 50 DEAA CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1F 107618 OYQKRCHWWXHLDM-CQSZACIVSA-N 321.421 2.487 0 50 DEAA Cn1ccnc1[C@H](Nc1ncc2ncn(C)c2n1)c1ccccc1 2100547400 IXLVSSRROALIOV-CQSZACIVSA-N 319.372 2.298 0 50 DEAA O=C1COc2ncnc(NC[C@@]34CCCC[C@@H]3C4(F)F)c2N1 2325780940 ZZNHEULHNDNLSH-SDBXPKJASA-N 310.304 2.045 0 50 DEAA Cn1cc(NC(=O)N2CCC[C@@H]2c2cc(F)ccc2F)nn1 2325781666 YXFXIAIELGAXDQ-GFCCVEGCSA-N 307.304 2.462 0 50 DEAA Cc1ccc(CN2CC[C@H]3CCOC[C@H]3C2)cc1-c1nn[nH]n1 2325811609 DUJWRQOEVJCZAV-LSDHHAIUSA-N 313.405 2.034 0 50 DEAA Cc1ccn(-c2ccccc2C(=O)Nc2ccnc3ccnn23)n1 2325872459 YSWHSODOQBSEFB-UHFFFAOYSA-N 318.340 2.476 0 50 DEAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)no1 39341 JHFJWXJQXJZBRA-UHFFFAOYSA-N 321.358 2.132 0 50 DEAA CN(c1ccccc1C(=O)N1CCCCCC1)S(C)(=O)=O 361678 FZWPRMRDJZWYES-UHFFFAOYSA-N 310.419 2.099 0 50 DEAA O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCCCO1 120021250 ZXRYMLKWGGXHNQ-KRWDZBQOSA-N 320.408 2.475 0 50 DEAA Cc1ccncc1NC(=O)c1cccc(CN2CCOCC2)c1 347622788 XJQIYEOCSWFGJH-UHFFFAOYSA-N 311.385 2.475 0 50 DEAA O=C(c1cnn2ccccc12)N1CCCC2(CCNCC2)CC1 67723940 XHJOPDCVKQELRD-UHFFFAOYSA-N 312.417 2.330 0 50 DEAA CC(C)c1nnc([C@H]2CN(C(=O)[C@H](C)n3cccc3)CCO2)o1 328611031 KBNNTZSCOUBDCE-QWHCGFSZSA-N 318.377 2.156 0 50 DEAA CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@H]1c1ncc[nH]1 328619340 FTIIZEYVVIFBHA-OAGGEKHMSA-N 310.401 2.029 0 50 DEAA CC(=O)N(C1CCC1)[C@H]1CCCN(C(=O)[C@H]2CCCOC2)CC1 328648764 USFUQHLWGPTCIN-RDJZCZTQSA-N 322.449 2.195 0 50 DEAA C=Cc1ccc(C(=O)NCCc2nnnn2-c2ccccc2)cc1 252483478 FCFOWISPTNNLPO-UHFFFAOYSA-N 319.368 2.278 0 50 DEAA CC(C)Cc1ccc(CN2CCC(NS(C)(=O)=O)CC2)cc1 65384728 XHURXZUESKZNGK-UHFFFAOYSA-N 324.490 2.399 0 50 DEAA CC1(C)CN(C(=O)CCn2ccnn2)CC[C@@H]1C(F)(F)F 330421144 GWAREMYKXVZOQH-JTQLQIEISA-N 304.316 2.105 0 50 DEAA CC(C)(C)CNC(=O)C(C)(C)NC(=O)CCc1ccncc1 125173273 OPZUUNFVRFSDJB-UHFFFAOYSA-N 305.422 2.071 0 50 DEAA O=S(=O)(CC1CCOCC1)c1ccc(C(F)(F)F)cn1 330511952 RYUTUYINLPDPON-UHFFFAOYSA-N 309.309 2.301 0 50 DEAA NC1=NC(=S)N[C@H](c2ccc(OCc3ccccc3)cc2)N1 34926983 RKSNFYXFZHMUDV-CQSZACIVSA-N 312.398 2.057 0 50 DEAA CCOc1cccc(CCNC(=O)N2CCC([C@H](C)O)CC2)c1 155538836 JQPSQAGCRIVBRE-AWEZNQCLSA-N 320.433 2.430 0 50 DEAA Cn1cnnc1C1CCN(C(=O)NCc2cccc(F)c2)CC1 123052124 OPBBLEXJFNZFMR-UHFFFAOYSA-N 317.368 2.043 0 50 DEAA CS(=O)(=O)CC1(COc2nnc(-c3ccccc3)o2)CCC1 155391512 QNFMFXGLIHOMNU-UHFFFAOYSA-N 322.386 2.330 0 50 DEAA O=C(O)C[C@@H]1CN(C(=O)c2cc3c(s2)CCCCC3)CCO1 238198316 XGSXLEPWYONTAH-GFCCVEGCSA-N 323.414 2.333 0 50 DEAA Cc1cnn(CCC(=O)N2CCC([C@@H](C)N3CCCC3)CC2)c1 72418216 CLNVOBQODDXABH-MRXNPFEDSA-N 318.465 2.305 0 50 DEAA CC(C)c1nn(C)cc1CN(C)C(=O)c1cccnc1S 156975293 KPVUWGVAXVQIKO-UHFFFAOYSA-N 304.419 2.499 0 50 DEAA O=C(O)CCn1c(=O)sc2cc(Br)ccc21 39315664 JOAISFNQNSIVHZ-UHFFFAOYSA-N 302.149 2.300 0 50 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DEAA O=C([C@H]1CCCNCC1)N1CCO[C@@H](CCc2ccccc2)C1 653151047 VHMPYNBUVKAIEV-ROUUACIJSA-N 316.445 2.236 0 50 DEAA C[C@H]1COCCN1[C@H](C)CNc1nnc(C(F)(F)F)s1 195568587 SCNYHMHDLGOYJR-SFYZADRCSA-N 310.345 2.078 0 50 DEAA CC(=O)NC(C)(C)C[C@@H](C)NCC1(O)C2CC3CC(C2)CC1C3 1506417559 AKJJSPUFVXGKCB-MMPVQKAMSA-N 322.493 2.457 0 50 DEAA COc1ccc(-c2c(C)nn(C)c2NC(=O)[C@@H]2CCOC2)cc1 1506402515 PIRARDGXCZEVAD-CYBMUJFWSA-N 315.373 2.379 0 50 DEAA C[C@H]1CCCN(C(=O)CN2CCC[C@H](C(F)(F)F)C2=O)C1 1615586350 LRBYGWGPMXQNHO-QWRGUYRKSA-N 306.328 2.046 0 50 DEAA Cc1nonc1CC(=O)Nc1cccc([C@H](O)C(F)(F)F)c1 1615605436 MDFDFNJUWFUFDG-LBPRGKRZSA-N 315.251 2.155 0 50 DEAA CN1CCN(Cc2cccc(O)c2Cl)CC12CCOCC2 1775981580 AZUARRTZUATNJJ-UHFFFAOYSA-N 310.825 2.342 0 50 DEAA COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1F 5752552 KQZRZVKDBFBKIF-HNNXBMFYSA-N 301.317 2.340 0 50 DEAA O=C(N[C@H]1CC(=O)N(CCCc2ccccc2)C1)c1cccnc1 14949178 FBRWMJKABYAXPK-KRWDZBQOSA-N 323.396 2.045 0 50 DEAA COC1CCN(c2ncnc3c2ncn3-c2ccccc2)CC1 408518650 SFPPUCNIOMEJKZ-UHFFFAOYSA-N 309.373 2.431 0 50 DEAA C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 222321640 VAKNKEQHCZLODK-DRPJVOAASA-N 304.390 2.383 0 50 DEAA CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2ccccc2)CC1 4241736 QPEHPIVVAWESTM-CQSZACIVSA-N 320.389 2.365 0 50 DEAA in-vitro CCc1ccccc1S(=O)(=O)N1CC[C@H](c2nc(C)no2)C1 332092369 VWJSDEXILJOWRS-ZDUSSCGKSA-N 321.402 2.119 0 50 DEAA O=C(CCCOc1ccccc1Cl)N1C[C@H](F)C[C@@H]1CO 347403600 YSMSCKXAWGIJKZ-VXGBXAGGSA-N 315.772 2.430 0 50 DEAA O[C@@H]1CN(c2nc3ccccc3nc2N2CCCC2)CC12CC2 364415331 JDKKXNQDPVATOI-OAHLLOKOSA-N 310.401 2.191 0 50 DEAA Cc1ccccc1Cc1noc(CN2CCC[C@](F)(CO)C2)n1 367907737 SOQKEWGPUJDPNW-QGZVFWFLSA-N 319.380 2.265 0 50 DEAA CC(=O)N1CC[C@@](C)(C(=O)Nc2nc3cccc(Cl)c3[nH]2)C1 370362505 YEZAHASVNFSRDD-OAHLLOKOSA-N 320.780 2.413 0 50 DEAA C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)c2occc2CN(C)C)C1 390832642 ZAJMVRHGQCJBQF-RBSFLKMASA-N 321.465 2.437 0 50 DEAA NCc1ccc2nc(C(=O)N3CC[C@@H](c4ccccc4)C3)cn2c1 912442760 RFNHYTNOJBWHQE-MRXNPFEDSA-N 320.396 2.423 0 50 DEAA Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](N)C[C@H]1C 228341730 VYOILTIPZJEJAF-ZYHUDNBSSA-N 302.827 2.149 0 50 DEAA Cc1oc(-c2ccccc2)nc1CCN=c1ccc(C(N)=O)c[nH]1 2325726334 RVGYRQRUTPTZDK-UHFFFAOYSA-N 322.368 2.220 0 50 DEAA O=C(Nc1nccc2cc[nH]c12)c1cnc([C@H]2CCCN2)nc1 2325795874 BXZSBRXAQNECDZ-GFCCVEGCSA-N 308.345 2.030 0 50 DEAA Cc1ccc2c(C(=O)N[C@H](CO)CN(C)C)c(C)ccc2c1 935980243 FVVQWNFGZRECIG-HNNXBMFYSA-N 300.402 2.109 0 50 DEAA CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1 285230 CPZBKHKLOBBICZ-UHFFFAOYSA-N 309.277 2.388 0 50 DEAA COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1602803 MQIGGLHZWMOEMY-OAHLLOKOSA-N 309.321 2.067 0 50 DEAA COc1ccc(NC(=O)NCCN2CCCCC2)c(OC)c1 6742465 UFTVPRVOBWYQIX-UHFFFAOYSA-N 307.394 2.311 0 50 DEAA Cc1c(C)n(Cc2ccncc2)c2ncnc(NCCCO)c12 9419372 CERZSBLQHZNSBL-UHFFFAOYSA-N 311.389 2.286 0 50 DEAA Cn1ccn2ncc(C(=O)NCCc3c[nH]c4ccccc34)c12 67965120 WVRLRWOOSLBTKN-UHFFFAOYSA-N 307.357 2.127 0 50 DEAA CC(C)C[C@H](C(N)=O)c1nc(Cn2cnc3ccccc32)no1 351193659 SJSVFOCPOPGZNA-LLVKDONJSA-N 313.361 2.083 0 50 DEAA C[C@@H](c1ccncc1)N(C)C(=O)c1cc(=O)n(-c2ccccc2)[nH]1 1506401934 KUZKSIMOSLUWRW-ZDUSSCGKSA-N 322.368 2.394 0 50 DEAA CC(C)(C)CN1CCC[C@@]2(CCN(C(=O)c3cnccn3)C2)C1 12299155 UASVFHDQWIFXCK-GOSISDBHSA-N 316.449 2.451 0 50 DEAA Cc1ccc2c(c1)nc(CNC(=O)N(C)C[C@H]1CCOC1)n2C 283140809 HEINZMLQPYZYPH-CYBMUJFWSA-N 316.405 2.060 0 50 DEAA O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)NC1CCCC1 32095465 NMQWEBAHKOLRGA-AWEZNQCLSA-N 315.373 2.226 0 50 DEAA COCC[C@H]1COCCN1C(=O)c1coc2ccc(OC)cc12 360938295 SPOUVPWIWZPMSK-LBPRGKRZSA-N 319.357 2.319 0 50 DEAA CNC(=O)c1ccc([C@@H]2CCCCN2CCOCC2CC2)n1C 328656519 ZJTCVDSPOXZSCE-INIZCTEOSA-N 319.449 2.338 0 50 DEAA CO[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2F)CC1 363685771 IYQQRLSNRJNXRP-HNNXBMFYSA-N 308.397 2.285 0 50 DEAA CCCOc1ccc(CCC(=O)N2CC[C@@H](C(=O)O)C2)cc1 236795079 RDBFJJMDKKEABT-CQSZACIVSA-N 305.374 2.341 0 50 DEAA CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@](C)(C(=O)O)C1 237016519 QMBZJIVMUHPAEM-LRDDRELGSA-N 309.337 2.306 0 50 DEAA Cc1cnc(CN2CCC(C(=O)NCc3ccccc3)CC2)cn1 505608794 LUGJTZBHNDQKNA-UHFFFAOYSA-N 324.428 2.313 0 50 DEAA CCc1nc(C)c(C(=O)N(CC)C[C@@H](O)c2cccc(O)c2)o1 215770135 RCAROMGXTZVTTJ-CQSZACIVSA-N 318.373 2.447 0 50 DEAA CCc1c(C)nn(CC(=O)NC[C@@H](C)Oc2cccnc2)c1C 218967074 CKMZBQZSYZBVBY-GFCCVEGCSA-N 316.405 2.041 0 50 DEAA O=C(CCc1cc2n(n1)CCCNC2)Nc1cccc2c1CCC2 72435981 XKARFMKLGYGMQA-UHFFFAOYSA-N 324.428 2.436 0 50 DEAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(C(=O)c2ccc(C)o2)C1 285785418 NFIGDOKNIVPIBX-NEPJUHHUSA-N 316.361 2.186 0 50 DEAA CN(C(=O)C1(c2ccccc2Cl)CCOCC1)[C@H]1CCNC1 179095549 VXFUXIKEAJSMNX-ZDUSSCGKSA-N 322.836 2.209 0 50 DEAA O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1[C@H]2CC[C@H]1[C@H](CO)C2 291333834 RJANSQSEPQUCIM-GZFHQYITSA-N 304.365 2.236 0 50 DEAA O[C@@H]1CCN(c2ccnc(-c3cc(F)cc4cccnc34)n2)C1 97172868 ZBYZTNWGMXFSMC-CYBMUJFWSA-N 310.332 2.402 0 50 DEAA Fc1ccc(OCCNc2cc([C@H]3CCOC3)ncn2)cc1 426526275 OMASXYUHOSIXPL-LBPRGKRZSA-N 303.337 2.611 0 50 DEAA COc1ccc2c(c1)OC[C@@H](C(=O)N1CCc3ncccc3C1)C2 92062070 DWRPXYPQKLQOCV-HNNXBMFYSA-N 324.380 2.226 0 50 DEAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)c2cn(C)nc2C)C1 91635753 LDANZHWMRHGYHL-KRWDZBQOSA-N 319.405 2.392 0 50 DEAA CN1CCN(CCOc2ccc(Br)cc2F)CC1 230555032 KUTPHUOSWXHTGQ-UHFFFAOYSA-N 317.202 2.214 0 50 DEAA CC(=O)N[C@@H]1CCCN(Cc2nc3ccc(C)c(C)c3[nH]2)C1 244882705 XWXAWKUYHFHTHB-CQSZACIVSA-N 300.406 2.280 0 50 DEAA Cc1cc(C)n([C@@H]2CCN(CCC(=O)Nc3nccs3)C2)n1 244734770 NLQFMGBQNJUUGW-CYBMUJFWSA-N 319.434 2.232 0 50 DEAA CC[C@@H](C)[C@@H](CO)NC(=O)C1(c2ccccc2)CCOCC1 253397751 BPXNDDKDLKZNLN-GDBMZVCRSA-N 305.418 2.258 0 50 DEAA biogenic CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 299744881 VFQKPPDNJGIKNA-BBWFWOEESA-N 302.418 2.365 0 50 DEAA CC[C@H](NC(=O)N(CC)Cc1ccncc1)c1ccnn1C 534584749 JRBJVMGBZXNKDQ-AWEZNQCLSA-N 301.394 2.498 0 50 DEAA Cc1cccc(=O)n1CCC(=O)Nc1nccc2cccnc12 1940198315 DWGJEUIFMIJGQW-UHFFFAOYSA-N 308.341 2.129 0 50 DEAA CN(CC[C@H]1CCCCO1)C(=O)c1ccccc1-n1cnnc1 1506418159 NYYSEBIPVRBYKA-CQSZACIVSA-N 314.389 2.299 0 50 DEAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)N1CCOCC1 299801858 ZTJJVTYRSITPHB-UHFFFAOYSA-N 302.330 2.274 0 50 DEAA Fc1cccc(Cl)c1CN1CC[C@H]2[C@H](C1)OCc1cnnn12 299797803 PCGGQDLVESKQSI-GJZGRUSLSA-N 322.771 2.416 0 50 DEAA COc1ncc(CN2CCCC[C@H]2CCn2ccnc2)cn1 824852067 OUCYQIVDAGQBLX-HNNXBMFYSA-N 301.394 2.127 0 50 DEAA C[C@@H]1[C@H](c2ccc(F)c(F)c2)CCN1c1cc(=O)n(C)c(O)n1 1875295435 XVKLXSTZACTDLB-MWLCHTKSSA-N 321.327 2.147 0 50 DEAA O=C(O)[C@H]1CC(F)(F)CN1Cc1ccc(-n2cccn2)cc1 1875283421 RRHNTJOZCCSTEP-CYBMUJFWSA-N 307.300 2.167 0 50 DEAA O=C(O)c1ccc(S(=O)(=O)N[C@H]2Cc3ccccc32)c(F)c1 1875265333 UJDTYNXEJYLRHR-ZDUSSCGKSA-N 321.329 2.100 0 50 DEAA CC1(C)NC(=O)C[C@H]1C(=O)N1CCC[C@]1(C)c1ccccc1 1875395446 XTOZKXVWTOISJS-KBXCAEBGSA-N 300.402 2.439 0 50 DEAA CCc1nnc2ccc(N3CC[C@@H](c4ncccc4C)C3)nn12 1875327096 QVEZQQIMEMVRSQ-CYBMUJFWSA-N 308.389 2.384 0 50 DEAA C[C@H](NC[C@]1(O)CCC[C@@H]1C)c1ccc(-n2cncn2)cc1 952876259 IWNIGGXZUKZIJQ-GRDNDAEWSA-N 300.406 2.469 0 50 DEAA FC(F)Oc1ccc(N2CCN(CC(F)(F)F)CC2)nc1 271214200 BPVRYRYDWDOHRD-UHFFFAOYSA-N 311.254 2.367 0 50 DEAA CC(C)c1cc(C(=O)NCc2cc(F)ccc2F)nc(N)n1 952865830 YFBKBWSLLSAAAL-UHFFFAOYSA-N 306.316 2.390 0 50 DEAA COCCN(Cc1ccc(C)s1)C(=O)C1=C(C)OCCO1 952976371 KFQVRCNXWGUISJ-UHFFFAOYSA-N 311.403 2.310 0 50 DEAA Cc1ccc(N2CCC[C@H](CNC(=O)c3occc3C)C2)nn1 952976428 NXHDPOGJPAKGDV-CQSZACIVSA-N 314.389 2.333 0 50 DEAA Cc1noc(C2(NC(=O)N[C@H](c3cccnc3)C3CC3)CC2)n1 893886979 ZEVWZMXGXAIXCX-ZDUSSCGKSA-N 313.361 2.213 0 50 DEAA CC(C)C(=O)N1CCC(C(=O)NC[C@H]2CCCC(C)(C)O2)CC1 890136143 ADHMHNGBHXINST-OAHLLOKOSA-N 324.465 2.345 0 50 DEAA CC(C)(C)C(=O)N1CCC[C@H](c2nc(Cc3ccon3)no2)C1 273983289 RTVJFYHCXUDTRE-NSHDSACASA-N 318.377 2.401 0 50 DEAA C[C@H](NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C)c1ccccc1 275573966 IOSWOIVXOCIACC-QEJZJMRPSA-N 314.389 2.311 0 50 DEAA O=C(Nc1cccc(-c2noc(-c3cccc[n+]3[O-])n2)c1)C1CC1 170623544 CWPZIOTUMWDVBN-UHFFFAOYSA-N 322.324 2.386 0 50 DEAA CC[C@H](C)S(=O)(=O)NC(=O)c1ccc2c(c1)CC(C)(C)O2 408495796 FMDKPFOEJXRCKE-JTQLQIEISA-N 311.403 2.258 0 50 DEAA CC(=O)N1CCN(c2c(F)cc(Br)cc2F)CC1 408522915 DYTZFXVIIYCVIB-UHFFFAOYSA-N 319.149 2.396 0 50 DEAA CCn1c(=O)c(N2C[C@H](C)O[C@H](C3CC3)C2)nc2ccccc21 408523594 LPVANDMPRUIXHL-LRDDRELGSA-N 313.401 2.420 0 50 DEAA CC(C)c1ccc(C(=O)NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)cn1 408504669 XOIRUDSNXLKULN-XUJVJEKNSA-N 322.430 2.453 0 50 DEAA COC(=O)C[C@H]1CN([C@@H](C)c2nc3ccccc3o2)CCO1 222190022 ODOBXHUPQPYLDS-RYUDHWBXSA-N 304.346 2.153 0 50 DEAA COc1ccc2oc(CNC[C@H]3CN4CCC[C@H]4CO3)cc2c1 110697903 LMXCSVHOAPXFTI-YOEHRIQHSA-N 316.401 2.394 0 50 DEAA CCOC(=O)N1CCC[C@@H]([C@H](C)NCc2ccnc(N)c2)C1 225616885 NVBRTUQKXKUMJJ-GXTWGEPZSA-N 306.410 2.010 0 50 DEAA Cc1csc(CCNc2cc(N3CCSCC3)ncn2)n1 683383622 VYQQKPCORDIJCX-UHFFFAOYSA-N 321.475 2.449 0 50 DEAA CC(C)(C)n1nnc(CN2CCCc3c(C(=O)O)cccc32)n1 655929864 XIJLSAYTDYFFQG-UHFFFAOYSA-N 315.377 2.079 0 50 DEAA Cc1cc(NCCCn2cccn2)nc(N2CCCCC2)n1 1529142010 XECXWJIUSINKLT-UHFFFAOYSA-N 300.410 2.474 0 50 DEAA Cc1ncc(CN(CCO)Cc2ccc(OC(C)C)cc2)[nH]1 1704311222 AABQPJMCIYHVLC-UHFFFAOYSA-N 303.406 2.500 0 50 DEAA C[C@H]1CNCCN1C(=O)CCc1ccccc1Br 126324585 YJJKGVAQEJDKIS-NSHDSACASA-N 311.223 2.202 0 50 DEAA CCC(CC)C(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 12709709 HRHKZVNGGMSQLU-OAHLLOKOSA-N 306.381 2.479 0 50 DEAA CCOc1ccccc1N1CCN(c2ncc3cn[nH]c3n2)CC1 1857672831 IFUFZPMSOGBNNA-UHFFFAOYSA-N 324.388 2.078 0 50 DEAA O=C(NCc1ccc(-c2ccccc2)o1)[C@@H]1CCc2ncnn2C1 1857739283 HKDFNVUUCVDTRO-CQSZACIVSA-N 322.368 2.417 0 50 DEAA COc1ccc2c(c1)C=C(c1nc([C@@H]3CCCNC3)no1)CO2 842666876 ZUPVVOQCKUTDKC-LLVKDONJSA-N 313.357 2.478 0 50 DEAA O=C(O)c1ccc(CNC(=O)[C@@H]2CCc3cc(F)ccc32)o1 659135016 ZLEKMEPHQUNFKY-CYBMUJFWSA-N 303.289 2.463 0 50 DEAA COc1ccc(OC)c(COC[C@H](O)CN2CCC[C@H](C)C2)c1 103464078 QTRBPWTVSGDPMB-GOEBONIOSA-N 323.433 2.313 0 50 DEAA Cc1cnc([C@H](C)CNC(=O)N[C@H]2CC[C@@H](N(C)C)C2)s1 222295624 XWDHKNXCABSOKY-KGYLQXTDSA-N 310.467 2.337 0 50 DEAA CSc1nc2ncnc(NCc3ccc(N)nc3)c2s1 225546014 WIWIMMMYPNBGNT-UHFFFAOYSA-N 304.404 2.398 0 50 DEAA CCN1C[C@H](C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1=O 437219080 IZODPWQTGKHGCE-KWCYVHTRSA-N 306.793 2.181 0 50 DEAA CC(C)CO[C@H]1CCN(C(=O)c2cccn2C2CCNCC2)C1 376792375 VQPBUNGOJLPULG-INIZCTEOSA-N 319.449 2.300 0 50 DEAA CON(C)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1 35633093 XVSOLNIURSFPEU-UHFFFAOYSA-N 306.362 2.055 0 50 DEAA in-vitro Cc1cccc(N(C)C(=O)Cc2ccn(CC(F)(F)F)n2)n1 903451133 CVDAGIIMTBVKDY-UHFFFAOYSA-N 312.295 2.354 0 50 DEAA Cc1nc(S)sc1CC(=O)N(C[C@H]1CCOC1)C1CC1 128624558 GBJQTEFKGCTADY-SNVBAGLBSA-N 312.460 2.310 0 50 DEAA O=C1C[C@H](c2ccc(F)cc2)c2c(n3ccsc3nc2=O)N1 4722033 AJVQMENUBJAONJ-SNVBAGLBSA-N 315.329 2.369 0 50 DEAA CCOC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 145455 OKZRIGLAVJSZLB-UHFFFAOYSA-N 300.361 2.268 0 50 DEAA O=C(CS(=O)(=O)c1ccccc1)N1CCc2ccccc21 4814377 DZQRFXIGJQFHOP-UHFFFAOYSA-N 301.367 2.050 0 50 DEAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(C)(C)C 6704768 KPKIITAYQMJQBS-UHFFFAOYSA-N 313.419 2.014 0 50 DEAA C[C@H]1CCN(C(=O)c2sccc2Br)[C@H]1C(=O)O 226847981 DPRKWEIAKOVCRF-POYBYMJQSA-N 318.192 2.446 0 50 DEAA O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCNCC2)cc1 115046331 ZGKXCKOQXXMXSB-UHFFFAOYSA-N 324.384 2.376 0 50 DEAA CCCN1CCCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 248037666 ZLVJYISCHKXPCB-BRWVUGGUSA-N 309.498 2.297 0 50 DEAA O=C(NCC1=CCCCC1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 67847871 KBUCLGIABFDJJU-MRXNPFEDSA-N 313.401 2.047 0 50 DEAA Cc1nc(CCNC(=O)c2csc(C(C)C)c2)cc(=O)[nH]1 23340482 NEJABHXDBRWHBK-UHFFFAOYSA-N 305.403 2.236 0 50 DEAA CCc1noc2ncc(C(=O)N3CCCC[C@@H]3[C@@H](C)N)cc12 121784958 UEQJDYFNMMAMPF-QMTHXVAHSA-N 302.378 2.127 0 50 DEAA COC(=O)c1cccc([C@H]2CC(=O)Nc3cc(O)c(C)cc32)n1 65535312 DFKLLSOYUUQLKY-NSHDSACASA-N 312.325 2.356 0 50 DEAA C[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 152237944 PNNPWWKANHNWLS-BBRMVZONSA-N 300.402 2.340 0 50 DEAA O[C@](Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F 390434 JWUCHKBSVLQQCO-MRXNPFEDSA-N 301.296 2.492 0 50 DEAA biogenic,in-vitro CCCn1c(=O)c2[nH]c(C3CCCC3)nc2n(CCC)c1=O 3977757 FFBDFADSZUINTG-UHFFFAOYSA-N 304.394 2.364 0 50 DEAA biogenic,investigational CCC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 71767272 YJKRDNVOKIGICN-UHFFFAOYSA-N 304.371 2.450 0 50 DEAA CC(C)c1noc(CN2C=Nc3ccccc3S2(=O)=O)n1 331961629 JOIQCEGKZNVBQK-UHFFFAOYSA-N 306.347 2.057 0 50 DEAA C[C@@H](C(=O)N1CCCc2ccccc21)N1CC[C@@](C)(CN)C1 261747202 KWWWVOZOEKRXAE-KSSFIOAISA-N 301.434 2.025 0 50 DEAA CNS(=O)(=O)c1ccc(CN(C)[C@@H](C)c2cccnc2)cc1 71662532 DIIXQGGPJIUTOQ-ZDUSSCGKSA-N 319.430 2.183 0 50 DEAA COc1ccc(CN2CCCC[C@@H]2CC(=O)O)cc1C(=O)O 216295994 MTOBMEHTZCZJOH-GFCCVEGCSA-N 307.346 2.223 0 50 DEAA OC[C@@]1(c2ccccc2)CCCN(c2ncnc3[nH]ccc23)C1 374542005 CGSHWSAAFOAMKZ-GOSISDBHSA-N 308.385 2.488 0 50 DEAA COCCN(C(=O)/C=C/CN(C)C)[C@H]1CCCc2cccnc21 375401566 HCMYOGKJPYFAMD-DHINHOHASA-N 317.433 2.052 0 50 DEAA CCC(C)(C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 30494057 GENIGHNEKFRHOX-UHFFFAOYSA-N 310.419 2.280 0 50 DEAA CCNC(=O)N1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)C1 285501038 AIWAGXKHIFMCQB-GFCCVEGCSA-N 307.394 2.245 0 50 DEAA O=C1CCc2cc(NC(=O)[C@H]3CC[C@@H](C(=O)O)C3)c(F)cc2N1 263361038 YJMUJUCMRXMMMP-VHSXEESVSA-N 320.320 2.150 0 50 DEAA COCCS(=O)(=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 245383911 SHWPEVZAWJAAMP-XQLPTFJDSA-N 301.452 2.253 0 50 DEAA CCc1cccc(C)c1NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 138703383 ZBZCASVMQIQUTN-AAVRWANBSA-N 303.358 2.374 0 50 DEAA O=C(c1cccc(-c2ncccc2F)c1)N1CCC[C@H]1CO 426707409 KPMSSDKLSHQQTA-AWEZNQCLSA-N 300.333 2.485 0 50 DEAA O=C(NCc1nc(O)c2ccccc2n1)c1onc2c1CCCC2 426697282 FEUSFRCUCUQEOA-UHFFFAOYSA-N 324.340 2.132 0 50 DEAA O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nccs1 44893556 ZAFGBTPFHKOUBM-UHFFFAOYSA-N 306.395 2.109 0 50 DEAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Cc1cc(C)ccc1C 222482593 OEBGUNBWEWMSOD-IRXDYDNUSA-N 304.434 2.070 0 50 DEAA Cc1nc([C@H]2CCCS(=O)(=O)C2)n(-c2cccc(F)c2)n1 96132684 HACMIMRRHGMRLL-NSHDSACASA-N 309.366 2.007 0 50 DEAA Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c1 239439198 ZOHDOFBGGUXZSD-CWCFIDOXSA-N 317.385 2.359 0 50 DEAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2cccnn2)C1 95380142 UJNXSGMGYSHGEC-AWEZNQCLSA-N 313.405 2.493 0 50 DEAA C[C@@H]1CN(Cc2cc(F)c(F)c(F)c2)C[C@@H]1N1CCOCC1 180230968 QEXFXCIVOPHCPF-ABAIWWIYSA-N 314.351 2.256 0 50 DEAA CCC[C@]1(CO)CCCN(C(=O)c2nnc3n2CCCCC3)C1 91943782 UBYUXCNQLUBXLB-KRWDZBQOSA-N 320.437 2.019 0 50 DEAA Cc1ccc(F)cc1CNC(=O)C[C@@H]1CN(C(C)C)CCO1 97480146 CXEVCTATLHCLML-MRXNPFEDSA-N 308.397 2.250 0 50 DEAA C[C@@H](CN(C)Cc1cc(-c2cccs2)n[nH]1)n1cncn1 244893018 YTWFHPXMPQGVKD-NSHDSACASA-N 302.407 2.423 0 50 DEAA Cc1noc2ncnc(N[C@H](c3ccccn3)[C@H]3C[C@H](O)C3)c12 244716300 LMNGDCPIJYARQH-MJVIPROJSA-N 311.345 2.245 0 50 DEAA COc1ccc(F)cc1[C@H](NC(=O)c1ccc[nH]1)[C@H]1C[C@H](O)C1 244724494 MVDZAYRZJVJPIK-NSODJVPESA-N 318.348 2.404 0 50 DEAA O=C(NC1CCOCC1)N1CCO[C@H](CCc2ccccc2)C1 183087883 DHRMXYCHKTYUGA-QGZVFWFLSA-N 318.417 2.209 0 50 DEAA C/C=C(\C)CN1CCC[C@H](CNC(=O)Cc2cccnc2)C1 820390559 GUHOKHVVYRRBQP-NYXJMVDZSA-N 301.434 2.419 0 50 DEAA O=C(O)c1nccnc1NCC1(c2ccc(Cl)cc2)CC1 584897956 BSHYKERKYLKPEC-UHFFFAOYSA-N 303.749 2.972 0 50 DEAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H](CC(=O)O)C1 1875277204 DLZYPJRSWCSTEE-CQSZACIVSA-N 321.421 2.022 0 50 DEAA O=C(CCCc1csc2ccccc12)N1C[C@@H](O)C[C@H]1CO 185930878 RUAVCYZLCDDKDH-KBPBESRZSA-N 319.426 2.178 0 50 DEAA Cc1cc(Cn2cc(CN3CCCC3=O)nn2)ccc1Cl 1875282340 YPLVGFJNZJBHRN-UHFFFAOYSA-N 304.781 2.411 0 50 DEAA Cn1cc(CNC(=O)Cc2scnc2-c2cccs2)cn1 1875324252 OELIORYQTHAJQY-UHFFFAOYSA-N 318.427 2.464 0 50 DEAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@]2(CC)CCOC2)cc1 1875373461 BNFJVQPIXHPUEM-KRWDZBQOSA-N 302.374 2.134 0 50 DEAA CCOc1ccc(CCNC(=O)N2C[C@@H]3CC[C@H](C2)O3)cc1 1775708818 KCKYGZZSSQIESO-IYBDPMFKSA-N 304.390 2.201 0 50 DEAA COc1nccc(C(=O)N2[C@@H](C)COC[C@H]2c2ccccc2)n1 1775994457 PBYXZVGCWQWIIL-WFASDCNBSA-N 313.357 2.087 0 50 DEAA Cc1cc([C@H](C)NC(=O)N2CC(O)(C(F)(F)F)C2)c(C)o1 1775993840 MJAGVXWHYFJTSC-QMMMGPOBSA-N 306.284 2.276 0 50 DEAA Cn1cc(C(=O)N2CCc3ccsc3C2)c([C@@H]2CCOC2)n1 276040099 RSBNZWLQPZHCRP-GFCCVEGCSA-N 317.414 2.184 0 50 DEAA Cc1cc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)ns1 277961074 KUARDNVHFICUNJ-LLVKDONJSA-N 304.371 2.364 0 50 DEAA O=C(N[C@@H]1COc2ccccc2C1)c1cn[nH]c1C(F)(F)F 170599102 YUXRRJSHXHGEIG-VIFPVBQESA-N 311.263 2.162 0 50 DEAA CC(C)(C)OC(=O)N1CC[C@H](Oc2ncccc2C(=O)O)C1 86003103 ZVZNJJHZMXHXCB-JTQLQIEISA-N 308.334 2.168 0 50 DEAA in-vitro CC(C)N1CCN(CCCN(C)[C@H](C)c2ccccn2)CC1 170607509 JOZHSXMZDMLPDH-QGZVFWFLSA-N 304.482 2.491 0 50 DEAA O=C1CC(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)C1 282161660 MTHXWNOHNSAHMM-INIZCTEOSA-N 307.777 2.137 0 50 DEAA CC(C)c1nnc2n1CCN(Cc1ccc(CO)cc1)[C@H]2C 189571640 XLZIMFRIOCKXPE-ZDUSSCGKSA-N 300.406 2.471 0 50 DEAA Cc1cccc(-c2noc(CN(C)C3(CO)CCOCC3)n2)c1 191012467 NXEDSGOQWGBNCA-UHFFFAOYSA-N 317.389 2.018 0 50 DEAA COC[C@@H](NC(=O)N1CCC(C(=O)O)CC1)c1ccc(F)cc1 414634263 XDWVEDSPTOTHID-CQSZACIVSA-N 324.352 2.019 0 50 DEAA Cc1ccc(-c2cc(C(=O)N(CCO)CC(F)F)[nH]n2)cc1C 194408019 CASYHHJFQBAWCK-UHFFFAOYSA-N 323.343 2.393 0 50 DEAA O=C(CC[C@@H]1CCCO1)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 653331785 WKJXHLHEGWVUCK-NILFDRSVSA-N 303.358 2.375 0 50 DEAA O=C(Nc1cc2ccccn2n1)N1CCC[C@](O)(C2CC2)C1 667075798 GDYVYGYLYKFSJN-MRXNPFEDSA-N 300.362 2.103 0 50 DEAA Cc1nnc(SCC(=O)N2CCn3cccc3[C@@H]2C)s1 1506398826 GLRGTNUUNAXBBJ-VIFPVBQESA-N 308.432 2.344 0 50 DEAA Cc1cccnc1C(=O)Nc1ccccc1N1C(=O)N[C@H](C)C1=O 1506425788 HCACECVMMXKXFE-LLVKDONJSA-N 324.340 2.087 0 50 DEAA Cc1cc(CC(=O)N2CCCN(Cc3ccc(C)o3)CC2)on1 1529173512 XHHBRMGJHQMUJR-UHFFFAOYSA-N 317.389 2.161 0 50 DEAA CN(C(=O)c1ccc2c(c1)OCCO2)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529191969 LEWBAYMXPRZPBR-NMWPEEMBSA-N 317.385 2.079 0 50 DEAA Cc1cc(S(=O)(=O)NCc2ncnn2C(C)C)sc1C 331243580 PLKLCLIFJHVDPB-UHFFFAOYSA-N 314.436 2.016 0 50 DEAA Cc1cc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)c(C)o1 1615734087 CKEPCRZSLLGJDT-HOCLYGCPSA-N 300.358 2.279 0 50 DEAA CN(C)Cc1nnc(N[C@H](Cn2cccn2)c2ccccc2)o1 1772704511 NJLVSURVHVBXSH-CQSZACIVSA-N 312.377 2.181 0 50 DEAA O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCCC1 5388501 FQIMYASHOLDJRJ-UHFFFAOYSA-N 317.776 2.186 0 50 DEAA CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(CC(C)(C)C)CC2 12191103 PQUHJAAZZBQNBC-CYBMUJFWSA-N 321.469 2.016 0 50 DEAA CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(F)cc2)s1 12379805 OQSAWYASNXZOLT-UHFFFAOYSA-N 315.351 2.041 0 50 DEAA CSCCCNC(=O)c1cn(Cc2ccccc2C)nn1 12430653 OFNAPWBLQVGEQZ-UHFFFAOYSA-N 304.419 2.118 0 50 DEAA COC(=O)CCC(=O)N1CCO[C@@H](CCCc2ccccc2)C1 12590190 WZJNJOHVNRQELX-INIZCTEOSA-N 319.401 2.190 0 50 DEAA CO[C@@H]1C[C@H](c2nc(C)no2)N(c2nc(C3CC3)ns2)C1 328614661 WOGDOSGLMKBPEZ-NXEZZACHSA-N 307.379 2.073 0 50 DEAA Cc1oc(C)c(S(=O)(=O)N2C[C@H]3CCC[C@H]3C2)c1C(=O)O 123673112 ZNVJIKUYMBHUFL-PHIMTYICSA-N 313.375 2.015 0 50 DEAA O=C(NCc1ccc2nc(O)[nH]c2c1)c1ccc2cc[nH]c2n1 345135966 WFRKIAUIRPHVLV-UHFFFAOYSA-N 307.313 2.075 0 50 DEAA CCCOc1c(CNC(=O)[C@@H]2CC[C@H](N)C2)cccc1OC 247914504 LXXIMYSURDUQLJ-OCCSQVGLSA-N 306.406 2.228 0 50 DEAA COC(=O)c1cnc(N2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)nc1 588039571 RGHREOWGKQIGHG-MHEUCROKSA-N 319.405 2.029 0 50 DEAA Cc1nc(C)c(C(=O)N2CCC[C@H](CCC(=O)O)C2)nc1C 263459598 VJWOAWBPKQTGPY-CYBMUJFWSA-N 305.378 2.119 0 50 DEAA Cc1cc(CCC(=O)N2CCC3(CCC(O)CC3)CC2)no1 820942179 QUODILYZWMZKBE-UHFFFAOYSA-N 306.406 2.459 0 50 DEAA Brc1cnc(NC[C@H]2CCc3nccn3C2)nc1 275655269 UQBGSCALDGGQIK-SECBINFHSA-N 308.183 2.110 0 50 DEAA CSc1nsc(SCC(=O)Nc2cc(C)on2)n1 2355214 HFPKJDFGJUBPQJ-UHFFFAOYSA-N 302.406 2.287 0 50 DEAA CCOC(=O)c1ccc(NC(=O)c2occ3c2OCCO3)cc1 4745543 FRWCHWUXCZFMRX-UHFFFAOYSA-N 317.297 2.480 0 50 DEAA CCc1cc(C(=O)O[C@H](C(=O)OC)c2cccc(C)c2)n[nH]1 2325780181 MLJPIIAEPDKVLC-AWEZNQCLSA-N 302.330 2.352 0 50 DEAA N[C@@H]1CCO[C@@H]([C@@H]2CCCN(CCC3SCCS3)C2)C1 853022991 JNJBJRJUMFSRHW-MGPQQGTHSA-N 316.536 2.401 0 50 DEAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2c[nH]cc2C)C3)n1 888098252 JEDCAFSXWPRQDM-LRDDRELGSA-N 300.362 2.208 0 50 DEAA CC(=O)CC(=O)Nc1cccc(I)c1 449279 BODBDCYFRMCDIR-UHFFFAOYSA-N 303.099 2.209 0 50 DEAA CN1CCC(N2CCC[C@H](C(=O)NC3CCCCC3)C2)CC1 1503155 JUFUGCTWEUHVKC-HNNXBMFYSA-N 307.482 2.242 0 50 DEAA O=C(CNC(=S)NC(=O)C1CCCCC1)c1ccccc1 2999987 KZVIPIXFHCEYGJ-UHFFFAOYSA-N 304.415 2.440 0 50 DEAA aggregator O=C1NC[C@@]2(CCCN(C(=O)c3ccc4ccccn34)CC2)O1 2356148545 FDSMOCDTHLNNPV-KRWDZBQOSA-N 313.357 2.044 0 50 DEAA O[C@H](COc1ccccc1Br)CN1CCCC1 4819486 ZPUOKDVHZIOSSX-NSHDSACASA-N 300.196 2.285 0 50 DEAA CCOC(=O)C1CCN(Cc2cc(OC)cc(OC)c2)CC1 4948007 DYPKDPWNTDDVMJ-UHFFFAOYSA-N 307.390 2.479 0 50 DEAA Cn1cc(O[C@@H]2COC[C@@H]2NC2CC(c3ccccc3)C2)cn1 862493617 CCWJCHSZKSXQOS-MUDYYLEHSA-N 313.401 2.102 0 50 DEAA CCn1c(S)nnc1CNC(=O)c1coc2ccccc12 113172047 JOZKIXIGOGGFDW-UHFFFAOYSA-N 302.359 2.263 0 50 DEAA OCC1CCN([C@@H]2CCCN(C3Cc4ccccc4C3)C2)CC1 20542295 HBXSXTKKGHRKMA-LJQANCHMSA-N 314.473 2.323 0 50 DEAA CN(C)C[C@@H](c1ccccc1)N(C)C(=O)CCN1CCCCO1 55307757 WPTSUPIZIJPCGC-KRWDZBQOSA-N 319.449 2.165 0 50 DEAA CCOCCN1CCN(c2ncnc3ccsc23)C[C@H]1C 248239878 APNAFQBAXOIPSL-GFCCVEGCSA-N 306.435 2.238 0 50 DEAA CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 59745859 DSTYYFIADVRFQZ-CQSZACIVSA-N 306.381 2.450 0 50 DEAA CC[C@@H](Cn1cncn1)NC[C@H](c1ccco1)N1CCCCC1 252492270 MHCDYIUQXDVAKE-JKSUJKDBSA-N 317.437 2.467 0 50 DEAA Cc1noc(C)c1CC(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 282711429 YQZWEUPLUJWGAV-HOCLYGCPSA-N 318.348 2.308 0 50 DEAA CCc1nc2c(c(NCCCc3ccncc3)n1)CCNCC2 72480895 AIRCRMUSJQUFDK-UHFFFAOYSA-N 311.433 2.167 0 50 DEAA CC[C@H](NC(=O)Cc1sc(S)nc1C)[C@@H]1CCCO1 152281722 KUKMIKROXGEWQG-UWVGGRQHSA-N 300.449 2.357 0 50 DEAA CC1(C)CN(CCOc2cccc(C(=O)O)c2)[C@@H]2COC[C@@H]21 323677166 DDVJMAIYJQWWBE-LSDHHAIUSA-N 305.374 2.120 0 50 DEAA O=C1NCc2cccc(NCc3ncnn3-c3ccccc3)c21 357327985 HHYDORWAQHDNBB-UHFFFAOYSA-N 305.341 2.123 0 50 DEAA Cn1cnnc1[C@H]1CCCN1C(=O)c1cccc2ccc(O)nc12 367972777 FDCGBZBGWXAXSK-CYBMUJFWSA-N 323.356 2.046 0 50 DEAA O=C1CCCCc2cc(C(=O)N3C[C@H](F)C[C@H]3CO)ccc21 330178115 LHNXHIPQQWKFPQ-KGLIPLIRSA-N 305.349 2.141 0 50 DEAA Cc1nc([C@H](C)N2CCc3[nH]nc(C(F)(F)F)c3C2)no1 368125733 YTDXEHOEHQBSPN-LURJTMIESA-N 301.272 2.239 0 50 DEAA COc1cccc(-c2ncc(CN3CCOC[C@@H](O)C3)s2)c1 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313.810 2.424 0 50 DEAA O=S1(=O)CC[C@H](CCN2CCc3c([nH]c4ccccc34)C2)C1 20862149 JXQGWAARXODSDV-ZDUSSCGKSA-N 318.442 2.351 0 50 DEAA Cc1nn(-c2ccncc2)cc1CN1CCC[C@H]1c1nncn1C 329759001 OIHYBUHMXGWUMA-INIZCTEOSA-N 323.404 2.041 0 50 DEAA Cc1noc([C@H](C)N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)n1 229201234 GNBIEGZOLGINSN-DZGCQCFKSA-N 320.437 2.410 0 50 DEAA CC(C)(C)c1noc(CCC(=O)N[C@H]2CCN3CCCC[C@@H]23)n1 229387281 RNWVXPFHRZWRRU-STQMWFEESA-N 320.437 2.043 0 50 DEAA CCc1cc2c(NC[C@@H](CO)[C@@H]3CCOC3)ncnc2s1 330087258 SVJGKPJUUJDWNI-MNOVXSKESA-N 307.419 2.311 0 50 DEAA Cc1ccccc1-c1cc(O)c2c(c1)CN(CC(N)=O)CCO2 67757928 FQRNPOJKCPZWHW-UHFFFAOYSA-N 312.369 2.047 0 50 DEAA O=C(O)CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 12297073 KAWOUENTKWFZLX-MRXNPFEDSA-N 322.320 2.276 0 50 DEAA biogenic Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)c2nccc(C)n2)on1 328631911 KYCYEKPGIPVVAJ-KBPBESRZSA-N 319.384 2.130 0 50 DEAA O=S(=O)(/C=C/c1ccccc1)NC[C@H]1CCn2ccnc2C1 328615211 ARUGKVKDMNWZCO-USYSOWRXSA-N 317.414 2.036 0 50 DEAA 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COc1cccc([C@@H](NC(=O)c2ccn(C(C)C)n2)C(=O)O)c1 659175742 RJVIYQFEYDRAQU-CQSZACIVSA-N 317.345 2.028 0 50 DEAA CCCOc1cc(OC)ccc1C(=O)N1C[C@@H](O)C2(CC2)C1 365111295 JVDRXWBJANXBKM-OAHLLOKOSA-N 305.374 2.081 0 50 DEAA CC(C)c1nc(NCc2ccccc2CO)nc(N(C)C)n1 158158736 DQCAHBGMXULBIK-UHFFFAOYSA-N 301.394 2.165 0 50 DEAA Cc1cccc(Cl)c1C(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1704313721 JCVHDMQSJLFKCQ-OLZOCXBDSA-N 308.809 2.051 0 50 DEAA CCC(=O)N1CCC(NC(=O)c2cc3c(C)cccn3c2)CC1 943064165 CUAWWHCSZRXHCW-UHFFFAOYSA-N 313.401 2.379 0 50 DEAA C[C@H]1OCC[C@]1(O)CNC(=O)c1cc(Cl)ccc1Cl 228679283 DTAVYPLXHFWIMN-OQPBUACISA-N 304.173 2.263 0 50 DEAA Cc1cc(F)ccc1S(=O)(=O)NCC[C@H]1CCCOC1 528451581 UMKOXSLVJBNJRM-GFCCVEGCSA-N 301.383 2.229 0 50 DEAA CN1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 4857621 WGYOBGCPSCGBPS-UHFFFAOYSA-N 302.827 2.055 0 50 DEAA CC1(C)OCCO[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1F 2325811001 WOKVPRZUHJGADZ-GUTXKFCHSA-N 307.365 2.239 0 50 DEAA C[C@H]1C[C@H](NC(=O)NCC[C@@H](N)Cc2ccccc2)C[C@@H](C)O1 891738126 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COCCCOC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 252512906 WQKDQPGRVBUDEZ-ZNMIVQPWSA-N 319.405 2.194 0 50 DEAA CCCn1ncc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1C 67756292 BMMJNXJUJQHLCC-ZDUSSCGKSA-N 301.394 2.344 0 50 DEAA CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1c(F)ccc(F)c1F 121504048 YWARDQHVRUNOFO-LDYMZIIASA-N 314.307 2.139 0 50 DEAA CC(C)(C)NC[C@]1(O)CCCN(CCCc2ccccc2)C1=O 67446831 SVWOPAAYWYOBSH-LJQANCHMSA-N 318.461 2.361 0 50 DEAA CCc1ccsc1C(=O)N1CCO[C@H](c2nncn2CC)C1 328623176 IZOBNCOVSKAAKJ-LBPRGKRZSA-N 320.418 2.136 0 50 DEAA CCc1nnc(-c2cccc(NC(=O)c3cc[nH]c(=O)c3)c2)o1 150992928 NBKDHQZGAXLDAG-UHFFFAOYSA-N 310.313 2.240 0 50 DEAA COC(=O)CCC(=O)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 153790151 HHSALDIPOWVZIR-UHFFFAOYSA-N 315.251 2.473 0 50 DEAA O=C(NCc1ccc(-n2ccnc2)nc1)N[C@@H]1C[C@H]2CC[C@H]1C2 363417172 XTPLVBROTHUIIB-AEGPPILISA-N 311.389 2.255 0 50 DEAA Cc1cnc(NC(=O)C(=O)N2CCc3cc(F)ccc3C2)s1 124136081 AOVGPCNLBQWQJN-UHFFFAOYSA-N 319.361 2.114 0 50 DEAA CC[C@H](C)n1nc(NC(=O)Cc2c(C)nn(C)c2C)cc1C 330687622 NSQNUWZOZPEXIY-JTQLQIEISA-N 303.410 2.694 0 50 DEAA O=C(c1ccccc1)C1CCN(Cc2cc3n(n2)CCNC3)CC1 72158405 IWJDSUVYNPLCDF-UHFFFAOYSA-N 324.428 2.081 0 50 DEAA C[C@@H](C1CCN(Cc2ccc(O)c(C(=O)O)c2)CC1)N(C)C 77427292 IOIVPKFGGIXKLV-LBPRGKRZSA-N 306.406 2.253 0 50 DEAA Cn1nccc1CCN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 338568894 AQTMXDRRLNEIFP-CZUORRHYSA-N 307.344 2.049 0 50 DEAA Cc1cc(C)cc([C@@H](O)CNC(=O)NCc2cccn2C)c1 225758466 DRBZGEMOPLMDBX-INIZCTEOSA-N 301.390 2.175 0 50 DEAA C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CCCc3ccc(F)cc32)C1 294426158 XBKMJMUCPDQODB-LKTVYLICSA-N 304.365 2.234 0 50 DEAA O=C(COc1ccc(F)cc1)N[C@H](Cc1ccccc1)C(=O)O 237959684 PVZLSYZLHHCWHD-OAHLLOKOSA-N 317.316 2.017 0 50 DEAA CCC[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1N(C)C 95503733 OAGGPQYLYWPGRY-GDBMZVCRSA-N 306.454 2.148 0 50 DEAA CCCc1nc(C(=O)N2CCc3nc(N)sc3C2)cs1 91997977 JSHJNDSYURRXDK-UHFFFAOYSA-N 308.432 2.333 0 50 DEAA COCC[C@]1(O)CCN(C(=O)NCCc2ccccc2)C[C@H]1C 91746788 RXKLWSNDHXGBBG-CRAIPNDOSA-N 320.433 2.048 0 50 DEAA Cn1nc(C(=O)NCCCN2CCCC2)cc1-c1ccccc1 97087957 ALDUJJLWTVKUKT-UHFFFAOYSA-N 312.417 2.303 0 50 DEAA Cc1cnc(N)nc1N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 91416817 PJNXGXDAAHSCTL-NSHDSACASA-N 317.780 2.238 0 50 DEAA CC(C)c1ccccc1NC(=O)CCN(C)C[C@@H]1COCCO1 244718882 LSROUVQNQORTID-OAHLLOKOSA-N 320.433 2.486 0 50 DEAA Cc1cnn([C@@H](C)CNC(=O)CCCn2nc(C)cc2C)c1 534649420 DHZCGENGPFCIAB-HNNXBMFYSA-N 303.410 2.162 0 50 DEAA COc1ccccc1CCn1c(C)cc(=O)c(C(=O)O)c1C 299792660 FIGTXPNUCNVPES-UHFFFAOYSA-N 301.342 2.415 0 50 DEAA CC1(C)C[C@H](NCc2nc(-c3ccncc3)n[nH]2)C(C)(C)O1 582593342 SANRZYAFKHSHEJ-LBPRGKRZSA-N 301.394 2.302 0 50 DEAA CC(C)CCOc1ccc(CCNC(=O)c2cc(N)n[nH]2)cc1 670464617 SWGJFNXHQAIOTM-UHFFFAOYSA-N 316.405 2.389 0 50 DEAA COc1ccc(CC(=O)N2CC3(CCCC3)[C@@H]2C(=O)O)cc1F 585134023 AYFHVPIROQDYHU-HNNXBMFYSA-N 321.348 2.233 0 50 DEAA C[C@@]1(C(=O)O)CCN(C(=O)Cc2c[nH]c3nccc(Cl)c23)C1 1875313763 TVSPUBDQAPCPQX-OAHLLOKOSA-N 321.764 2.082 0 50 DEAA COC(=O)/C=C/CNC(=O)c1c(Cl)c2ccccc2n1C 1875333503 YEPJKHITCPBXOB-VMPITWQZSA-N 306.749 2.291 0 50 DEAA CC1=C(C(=O)N[C@H](Cn2cccn2)c2ccccc2)OCCO1 952976409 ZJDWZNKLQSGNJU-OAHLLOKOSA-N 313.357 2.019 0 50 DEAA Cc1cc(C(=O)NC[C@H]2CCCN(c3ccncc3)C2)no1 952977430 VOSLSOMSIVIFBG-CYBMUJFWSA-N 300.362 2.024 0 50 DEAA CCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2ncoc2C)cn1 886079220 MRFXNXXXSDYUOG-SWLSCSKDSA-N 318.377 2.097 0 50 DEAA CCN1C(=O)C[C@@H](CNc2ncc(F)cn2)[C@@H]1c1cccnc1 886054732 TTYQIXHTENOSTQ-WFASDCNBSA-N 315.352 2.032 0 50 DEAA Cc1csc(N(C)C(=O)CN2CCc3ccccc3C2=O)n1 278963067 GBWWSIQMFCLPIJ-UHFFFAOYSA-N 315.398 2.113 0 50 DEAA COc1ncccc1C(=O)NCc1cc(F)cc2c1OCOC2 170661635 ZVMUDUIUJBNRNT-UHFFFAOYSA-N 318.304 2.026 0 50 DEAA O=C(CNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)OC1CCCCC1 170651261 KLWPURXFQNLBTN-PBWFPOADSA-N 321.417 2.374 0 50 DEAA O=C(c1ccc2nc(S)oc2c1)N1CCc2[nH]ncc2C1 170647363 TXLCKFOHBMOYLJ-UHFFFAOYSA-N 300.343 2.038 0 50 DEAA Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2cscc2C)o1 583621424 HRTNYLWHIFUSLV-QWRGUYRKSA-N 324.381 2.095 0 50 DEAA CO[C@H]1C[C@H](NC(=O)CCc2ccccc2C(=O)O)C12CCC2 634806844 QAESBQLYRMHRCA-GJZGRUSLSA-N 317.385 2.391 0 50 DEAA CC[C@@H](Sc1ccccc1)C(=O)NCc1cc(O)nc(O)n1 585130345 NPDFPRZWEKDGAI-GFCCVEGCSA-N 319.386 2.075 0 50 DEAA Cc1ccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)c(Cl)c1 408521997 BLGLZBSXHNBFPC-LBPRGKRZSA-N 319.796 2.167 0 50 DEAA COCc1cc(NC[C@@H]2C[C@@H]2c2ccccc2)n2ncnc2n1 110600231 QETHHCKKRBTKFL-DZGCQCFKSA-N 309.373 2.486 0 50 DEAA Cc1nc(C)n(CCCNC2CCN(Cc3ccco3)CC2)n1 1506395539 JLLUFGZLEWSZPM-UHFFFAOYSA-N 317.437 2.132 0 50 DEAA Cc1noc(C)c1C(=O)Nc1ccnn1C1CCN(C)CC1 1506395844 NVAONTZMCOJGDD-UHFFFAOYSA-N 303.366 2.007 0 50 DEAA CN(c1ccn(C)n1)S(=O)(=O)c1c(Cl)ccc(F)c1F 225447354 MMDZICNTUWCRDN-UHFFFAOYSA-N 321.736 2.177 0 50 DEAA COc1ncc(Br)cc1CN[C@H](C)c1cn[nH]c1 660272205 NBCHPRDOIACWAH-MRVPVSSYSA-N 311.183 2.427 0 50 DEAA O=C(NC[C@H]1[C@@H]2COC[C@H]12)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 1616043261 VSHTXEWNWMIESK-PJSNJIKXSA-N 312.360 2.241 0 50 DEAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccc(F)cc3F)CCN21 1616078443 PMKRVNQTVGGTBS-KGLIPLIRSA-N 324.371 2.290 0 50 DEAA Cc1ccc(C)c(N2CCN(CC3COCCOC3)CC2)c1 1775980953 MDSXSYDIPCSUTD-UHFFFAOYSA-N 304.434 2.088 0 50 DEAA CNCc1nnc(N(C)CCOc2ccc(C)cc2Cl)o1 1772710072 UYMVIFJJSWOYDK-UHFFFAOYSA-N 310.785 2.266 0 50 DEAA COc1cc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)ccn1 1649342954 ZCLQCHJWZYSWOG-UHFFFAOYSA-N 300.240 2.095 0 50 DEAA Cc1cc(N)n(-c2cc(N3CCC(C(C)C)CC3)ncn2)n1 225474581 ZVECOBCTTSIAFK-UHFFFAOYSA-N 300.410 2.425 0 50 DEAA CNC[C@@H]1CCCN(C(=O)c2c(O)nc3ccccc3c2C)C1 237250637 DJRQRQFOSGFUKC-ZDUSSCGKSA-N 313.401 2.320 0 50 DEAA COc1cccc([C@H]2C[C@H](NC(=O)N(C)CC(C)(C)O)C2)c1 459064494 ISWVFQVCBCCEEY-HDJSIYSDSA-N 306.406 2.354 0 50 DEAA C[C@@H]1C[C@@H](C(=O)NC[C@@H](CO)Cc2cnn(C)c2)CC(C)(C)C1 390832674 LYWMSRVECKUGOA-VNQPRFMTSA-N 321.465 2.150 0 50 DEAA Cc1csc(CNc2ccc(C(=O)N[C@H](C)C(=O)O)cc2)n1 901713982 NSPKDDWBRVXWIN-SNVBAGLBSA-N 319.386 2.267 0 50 DEAA CC(C)(C)c1nnc(C(=O)NCCc2nc3c(s2)CCC3)o1 902970089 MOFPVOUTLIIGLA-UHFFFAOYSA-N 320.418 2.285 0 50 DEAA Cc1noc(Cl)c1CC(=O)N1CCC[C@H](c2ccn(C)n2)C1 928192196 NTZOMRVFDGJJMW-NSHDSACASA-N 322.796 2.319 0 50 DEAA Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@H](C)N)C1 227187802 VYRWZECCUWOBFJ-RYUDHWBXSA-N 316.854 2.396 0 50 DEAA Cc1ccc(O[C@H](C)C(=O)N2CCC3(CC2)OCCO3)cc1 13331295 YAPZDHLYYBFUAI-CQSZACIVSA-N 305.374 2.128 0 50 DEAA Cc1nc2c(NC(=O)c3cccc4c3CCC4=O)cccn2n1 2100548157 WHRZKFXLLAQNIW-UHFFFAOYSA-N 306.325 2.419 0 50 DEAA Cc1cccc(N2C(=O)C[C@@H](Nc3ccc4c(c3)OCO4)C2=O)c1 5016405 ZUMLVONMFIPTKC-CQSZACIVSA-N 324.336 2.468 0 50 DEAA COc1ccccc1[C@H](N)CNC(=O)c1cnc2ncccc2c1 2325856627 XICAOZPAHPFHNC-OAHLLOKOSA-N 322.368 2.068 0 50 DEAA Cc1cnccc1NCCNc1nccc(-c2cnn(C)c2)n1 23129818 IJXDITNSEMOKOS-UHFFFAOYSA-N 309.377 2.105 0 50 DEAA O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCC[C@H]1C(=O)O 113631 LWYYYWNLCLHWQV-NWDGAFQWSA-N 305.330 2.287 0 50 DEAA Cc1nc2ccnn2c(NCc2nc(C(F)(F)F)n[nH]2)c1C 2356144806 MWYXOOAISFWPTD-UHFFFAOYSA-N 311.271 2.095 0 50 DEAA COC[C@H](C)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)CC1=O 4731717 BGANGXWALANMLW-WDEREUQCSA-N 310.781 2.162 0 50 DEAA Cc1n[nH]c(C)c1[C@H](NC(=O)c1nccc2ccccc12)C(=O)O 67871904 VCNPILMABZRSMC-HNNXBMFYSA-N 324.340 2.130 0 50 DEAA COCCN(Cc1cnn(C)c1)C(=O)c1nccc2ccccc12 55414036 LGPZYOZFQAEZKT-UHFFFAOYSA-N 324.384 2.257 0 50 DEAA Cc1cc(C)n(CCCNC(=O)CSc2ccncc2)n1 22412607 QDFHCLIMQGUSEN-UHFFFAOYSA-N 304.419 2.194 0 50 DEAA CN(C[C@H]1COc2ccccc2O1)C(=O)CCC1CCOCC1 173077146 JNXYQJYEMACLOZ-HNNXBMFYSA-N 319.401 2.492 0 50 DEAA Cc1ccc(CN(C)CC(=O)N2CCC[C@]3(CCNC3)C2)cc1 67676748 VCQWXTKMTPKNAX-LJQANCHMSA-N 315.461 2.029 0 50 DEAA CCn1cncc1CNc1cc(C2CCNCC2)nc(C)n1 67460007 VFSPKZWOZBTDGL-UHFFFAOYSA-N 300.410 2.081 0 50 DEAA O=C(NCc1ccoc1)[C@@H](c1ccccc1F)N1CCOCC1 173813014 JAKZSZNPWXAQOW-MRXNPFEDSA-N 318.348 2.108 0 50 DEAA Cc1nccn1-c1ccccc1-c1nc2c([nH]1)CCCNC2=O 65496317 ZYUKLAYRSXLOKL-UHFFFAOYSA-N 307.357 2.247 0 50 DEAA CCc1cc(N2CC[C@](O)(c3c[nH]nn3)C2)c2ccccc2n1 284417494 CNOLKXMSKQRDRV-QGZVFWFLSA-N 309.373 2.013 0 50 DEAA CC(C)[C@@]1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O 3851892 CABMTIJINOIHOD-QGZVFWFLSA-N 311.341 2.224 0 50 DEAA biogenic,in-vivo Cc1cnccc1CNC(=O)N1CC[C@H](C2CCN(C)CC2)C1 253429081 BZAVVLOUKVZFCB-KRWDZBQOSA-N 316.449 2.263 0 50 DEAA O=C(Nc1nnc2n1CCCC2)c1ccnn1-c1ccccc1 253420619 KJYCXDIFKDYXLM-UHFFFAOYSA-N 308.345 2.052 0 50 DEAA CC(C)[C@@H]1CN(C(=O)CCO)CCCN1Cc1ccc(F)cc1 71754641 UMWHHTLNGAGJLJ-KRWDZBQOSA-N 322.424 2.267 0 50 DEAA CO[C@@H]1C[C@H](c2nc(C)no2)N(C[C@@H](O)c2ccccc2F)C1 328619296 FRGYCXRAPAWYLH-KCPJHIHWSA-N 321.352 2.013 0 50 DEAA CN(C)c1ccc(C(=O)N2CCCN(CC(F)F)CC2)cc1 153663969 PZHONXGNZMIUMZ-UHFFFAOYSA-N 311.376 2.166 0 50 DEAA CCOC(=O)C[C@@H]1CCCCN1C(=O)CN(C)c1ccccc1 72476115 YOTSSCBOGUQPBQ-INIZCTEOSA-N 318.417 2.457 0 50 DEAA CO[C@@H]1CCC[C@H]1N[C@@H]1CCS(=O)(=O)c2c(F)cccc21 364311353 AZHUWLGVHVXEAB-MGPQQGTHSA-N 313.394 2.201 0 50 DEAA O=C(O)C1(C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 154771733 XGAXTOZYUMHFPV-UHFFFAOYSA-N 317.263 2.109 0 50 DEAA Cc1nc([C@H]2CCCCN2C(=O)c2ocnc2C2CC2)n[nH]1 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DEAA Cn1cc(CNC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)cn1 289833977 DTFNILXEQBACHB-CYBMUJFWSA-N 318.808 2.216 0 50 DEAA O=C(C[C@H]1CCCOC1)N1CCN(c2ncccc2Cl)CC1 193003328 ISSPQLWQNKJTNI-CYBMUJFWSA-N 323.824 2.200 0 50 DEAA COc1ccncc1CNC(=O)[C@@H]1CCc2cc(C)ccc2O1 293311500 IZHKTXWDIQFWPB-KRWDZBQOSA-N 312.369 2.409 0 50 DEAA Cc1ncsc1C(=O)N(CCc1ccccc1)CC(=O)O 178137216 XFBSPSFZVVUTOY-UHFFFAOYSA-N 304.371 2.221 0 50 DEAA O=C(N[C@@H](C(=O)O)[C@@H]1CCCOC1)c1ccc2c(c1)CCC=C2 263533744 NPRORJKHNWPILI-HZPDHXFCSA-N 315.369 2.256 0 50 DEAA O=C(c1csc(Cc2ccc(F)cc2)n1)N1CCC[C@H]1CO 133312649 WJMQYKBYAUMTGJ-ZDUSSCGKSA-N 320.389 2.470 0 50 DEAA CC(C)c1cc(C(=O)NCCCNc2cccnc2)n(C)n1 82157817 HAIGXYXQGSUFAA-UHFFFAOYSA-N 301.394 2.171 0 50 DEAA c1ccc2c(c1)cnn2CCCNc1cc([C@H]2CCOC2)ncn1 426533905 XPHPZWRPQOHVMO-HNNXBMFYSA-N 323.400 2.832 0 50 DEAA O=C(O)CN(C(=O)c1ccc2c(c1)CCCC2)C1CCOCC1 238113746 WLVHLARJXQIVEN-UHFFFAOYSA-N 317.385 2.271 0 50 DEAA COc1cccc([C@H]2CCN(CCN3CCCC3=O)C2)c1OC 244873569 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CC[C@H](C)C[C@@H](C)NC(=O)NCCc1cccc(C(N)=O)c1 176282081 GADVOFWPALRNKX-QWHCGFSZSA-N 305.422 2.452 0 50 DEAA CCCN(CC(=O)O)c1cc(-c2ccccc2)nc2ncnn12 263404239 KAWZZHFTYXIQAI-UHFFFAOYSA-N 311.345 2.092 0 50 DEAA Cc1nc(CC(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)n[nH]1 612318324 HFYLLRRWAFYRDP-MRVPVSSYSA-N 306.316 2.080 0 50 DEAA COC(=O)c1ccc(OC)c(I)c1F 221286889 OGNQQVGEYSTMKW-UHFFFAOYSA-N 310.062 2.226 0 50 DEAA Cc1[nH]c2ccccc2c1CC(=O)NCCSc1cn[nH]n1 221380490 NGQPYQBWIAXKBB-UHFFFAOYSA-N 315.402 2.045 0 50 DEAA CC(C)(C)c1cn(C2CCN(C(=O)[C@@]3(C)CCCO3)CC2)nn1 48155930 FVTMEJCBNMOXAR-QGZVFWFLSA-N 320.437 2.308 0 50 DEAA CC[C@H]1Oc2cc([C@H](C)NCCn3ccnc3)ccc2NC1=O 180008947 SMWFFOCAXFAWKG-SWLSCSKDSA-N 314.389 2.343 0 50 DEAA CC(C)N1CCC(CC(=O)NCc2csc(N(C)C)n2)CC1 95512827 ANYNCXIQOHFZJM-UHFFFAOYSA-N 324.494 2.336 0 50 DEAA CN1CCCCC[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 91706746 OILJJQGGARPRMI-KRWDZBQOSA-N 312.417 2.363 0 50 DEAA CSc1ncccc1-c1nc(CC2CCN(C)CC2)nn1C 95500154 ISDHPKBJFLYUMG-UHFFFAOYSA-N 317.462 2.483 0 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319.327 2.407 0 50 DEAA Cc1nn(C)c(C)c1CN1CCN(C(=O)OC(C)(C)C)CC1 20028488 LFBHNSSCHPCGDF-UHFFFAOYSA-N 308.426 2.090 0 50 DEAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)CCc1scnc1C 82121903 OFVZJDZMOQOYBG-ZDUSSCGKSA-N 323.462 2.244 0 50 DEAA CN(C)Cc1cccc(C(=O)N(C)CCCc2nccn2C)c1 426651345 NUKDGIWILVIIBY-UHFFFAOYSA-N 314.433 2.187 0 50 DEAA CN(Cc1cnccn1)C(=O)c1ccc(C(F)(F)F)cc1O 180562320 NONBTDGXQXXCOS-UHFFFAOYSA-N 311.263 2.473 0 50 DEAA Cc1cc2c(cc1C)O[C@H](C(=O)NC1CCC(C(=O)O)CC1)C2 268932775 KXCOZSUXQYPNAP-PXCJXSSVSA-N 317.385 2.367 0 50 DEAA O=C(CCc1cccnc1)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244742024 OAROXMHIHATECM-RVKKMQEKSA-N 311.385 2.038 0 50 DEAA O=C(CCc1cc(Cl)no1)N[C@H](Cc1ccccc1)C(=O)O 252500012 SLWVQWKZDBDDFQ-GFCCVEGCSA-N 322.748 2.073 0 50 DEAA NC[C@@H]1CCN(C(=O)c2cc3ccccc3nc2N2CCCC2)C1 299739420 OFIFUTFYDMRZBW-AWEZNQCLSA-N 324.428 2.256 0 50 DEAA C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1c(Cl)ccc(F)c1Cl 299752082 SRIVNKVSUAAQJW-NYNCVSEMSA-N 321.179 2.033 0 50 DEAA CC(C)C[C@@H](NC(=O)c1ccncc1Cl)c1ncnn1C 534650518 DYOSPTWWXFBZDW-GFCCVEGCSA-N 307.785 2.381 0 50 DEAA CCCn1ncnc1[C@@H](C)NC(=O)c1ccc(F)c(OC)c1 534579703 NVPKFXLYFIDXCV-SNVBAGLBSA-N 306.341 2.327 0 50 DEAA Cc1ccc(C)c(OCCN(C)C(=O)NCCc2ncc[nH]2)c1 534629951 WRSGEKILMLSOPR-UHFFFAOYSA-N 316.405 2.289 0 50 DEAA Cc1cc(C[C@H](C)NC(=O)Nc2ccc3c(c2)ncn3C)[nH]n1 299777878 IBPPXHYHCJVOKB-JTQLQIEISA-N 312.377 2.358 0 50 DEAA Cc1cccc(NC(=O)CC(=O)NCc2c(C)n[nH]c2C)c1C 827792119 LAZGPPSFEHDYPJ-UHFFFAOYSA-N 314.389 2.288 0 50 DEAA CCc1nc(C)c(C(=O)N2CCC[C@@H](c3ccncn3)C2)o1 584901056 QAGHFABZRIBJJX-GFCCVEGCSA-N 300.362 2.355 0 50 DEAA Cc1csc([C@@H](C)CNC(=O)c2cc3ncccn3n2)n1 584894737 APRBLCUTSPZQEL-VIFPVBQESA-N 301.375 2.028 0 50 DEAA C=CC(=O)N1CCC(C(=O)NC[C@H]2CCCCC2(F)F)CC1 1875365801 JIQJAJNGBBXAIL-CYBMUJFWSA-N 314.376 2.353 0 50 DEAA O=C(Nc1cccc(-c2cnc[nH]2)c1)c1cn2cccnc2n1 952967518 AQGPYRQCJZUCTM-UHFFFAOYSA-N 304.313 2.372 0 50 DEAA C[C@@H]1CCCc2ncc(C(=O)NCC3(C4(O)CCC4)CC3)n21 887537701 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2.327 0 50 DEAA Cc1ccn(-c2ccccc2NC(=O)NCC2(O)CCC2)n1 305024863 GNEZMOYLPNIEGG-UHFFFAOYSA-N 300.362 2.217 0 50 DEAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccc3occc3c2)C1 643754246 WDPWPSVXNTTYJI-GOSISDBHSA-N 316.401 2.238 0 50 DEAA Cc1nnc(CN(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)s1 585116082 GUWDFSQILYIVHB-UHFFFAOYSA-N 324.450 2.430 0 50 DEAA CN(CCc1cnccn1)C(=O)NC1(C(F)(F)F)CCC1 585119461 IEPJETYWPHXHLE-UHFFFAOYSA-N 302.300 2.146 0 50 DEAA O=C(c1ccc[nH]1)N1CCN([C@@H]2CCN(c3ccccc3)C2)CC1 1506400635 GHDFBJQKATVSHA-QGZVFWFLSA-N 324.428 2.051 0 50 DEAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Cc3ccccc3O)C[C@@H]21 1704338316 QTVKFZREYUBHTP-RVKKMQEKSA-N 303.402 2.334 0 50 DEAA Cn1cc(-c2noc(C3CC(O)(C4CCCCC4)C3)n2)nn1 1615045775 ARKWSEOKPJETFN-UHFFFAOYSA-N 303.366 2.054 0 50 DEAA Cc1cc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)cc(O)n1 1630340375 XXJTUPIGIOFFMT-UHFFFAOYSA-N 308.341 2.416 0 50 DEAA O=C(O)C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@H]1O 1857708692 HWNKZSVUIHDTNQ-BXKDBHETSA-N 304.173 2.261 0 50 DEAA COc1nccnc1N1CCC(Cc2ccc(O)nc2)CC1 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C[C@H](CNC(=O)N[C@H](C)c1cnn(C)c1)Oc1cccc(F)c1 266551601 SEFZHDFEFHASAG-VXGBXAGGSA-N 320.368 2.387 0 50 DEAA C[C@H]1CN(C(=O)c2ccc3nc(O)c(O)nc3c2)C(C)(C)C1 266926958 REQZFKZGGPBEKS-SECBINFHSA-N 301.346 2.302 0 50 DEAA Cc1oncc1NS(=O)(=O)c1cn(C)nc1C1CCCC1 901907464 NQSJESRUSWUGNH-UHFFFAOYSA-N 310.379 2.175 0 50 DEAA COc1ccnc(-c2noc(C34CCCN(CCC3)C4)n2)c1 904156896 HIGSBEHEBLNEOO-UHFFFAOYSA-N 300.362 2.268 0 50 DEAA Cc1c[nH]c(-c2noc([C@@H]3CCN(Cc4ccccc4)C3=O)n2)n1 904110395 AXARROBGXCJPQW-ZDUSSCGKSA-N 323.356 2.284 0 50 DEAA CC(C)(O)[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2)C1 721818890 ZEEPWXRBFGMARM-JTQLQIEISA-N 303.811 2.122 0 50 DEAA O=C(O)c1ccc(COc2cc(C(=O)O)cc(C(=O)O)c2)cc1 13318200 GOZATJNCMKPSAV-UHFFFAOYSA-N 316.265 2.360 0 50 DEAA O=C(CCOc1cccc(F)c1)Nc1n[nH]c2c1COCC2 923525451 QUNSCYYIONKKPM-UHFFFAOYSA-N 305.309 2.029 0 50 DEAA COc1ccc(OCC(=O)Nc2ccc(C(=O)O)cc2)cc1 42678 FZFMSNAQRSCEPX-UHFFFAOYSA-N 301.298 2.411 0 50 DEAA biogenic COc1ccc(C)cc1NC(=O)CN1C(=O)c2ccccc2C1=O 145211 SGDRLHYXIDGWHS-UHFFFAOYSA-N 324.336 2.238 0 50 DEAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1 255590 CCOHDBGXSRDPOE-UHFFFAOYSA-N 305.359 2.149 0 50 DEAA CC1(C)SC(=S)N(N)[C@H]1N(O)C(=O)Nc1ccccc1 282335 QYJPENIAUFIBQN-VIFPVBQESA-N 312.420 2.222 0 50 DEAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 449277 NBQIQVGKGVIZHL-AWEZNQCLSA-N 304.346 2.275 0 50 DEAA Cc1ccc(NC(=O)C[C@@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc1C 2854915 AZUKBAFZWXWJFJ-PMPSAXMXSA-N 315.417 2.031 0 50 DEAA NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1 4163329 CLJRLCSJQIEPDG-UHFFFAOYSA-N 316.338 2.333 0 50 DEAA COC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 4512917 GIKVXWGIGXLMQA-UHFFFAOYSA-N 313.766 2.399 0 50 DEAA COc1c(C)cccc1C(=O)NC(=S)NCc1cccnc1 4840997 PBNQETQAPCNSRN-UHFFFAOYSA-N 315.398 2.203 0 50 DEAA Cc1cccc(C)c1OCC(=O)Nc1ccc2c(c1)C(=O)NC2=O 4907274 XOQYNKQCTUUFLF-UHFFFAOYSA-N 324.336 2.205 0 50 DEAA NC(=O)COc1ccc(-c2noc(CCc3ccccc3)n2)cc1 6728653 UFBFHHVTHORBCQ-UHFFFAOYSA-N 323.352 2.386 0 50 DEAA CC(C)(CNC(=O)[C@H]1CCC(=O)N1)c1ccc(F)cc1Cl 112956656 VPQCGARILIVYHF-GFCCVEGCSA-N 312.772 2.152 0 50 DEAA Cc1noc(CCNC(=O)N(C)[C@H]2CCc3ccccc3C2)n1 114593864 PNGTWJVKBZBZRU-HNNXBMFYSA-N 314.389 2.119 0 50 DEAA CC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c1 100201698 VYTIHJCAZFZCNH-APYUEPQZSA-N 311.337 2.314 0 50 DEAA CC(C)c1cc(-c2nn3c(-c4cnccn4)nnc3s2)[nH]n1 22504684 IUEUCJWGKBGKTB-UHFFFAOYSA-N 312.362 2.156 0 50 DEAA COc1ccccc1CCC(=O)Nn1c(C)cc(C)cc1=O 67954498 XEXJUQMFQXOVMJ-UHFFFAOYSA-N 300.358 2.177 0 50 DEAA Cc1cc(C)c(-n2cccn2)c(CN2CCC(=O)NC[C@@H]2C)c1 67934909 SRWZTUKYKALEFS-HNNXBMFYSA-N 312.417 2.200 0 50 DEAA O=C(CCN1CCCC1=O)N[C@@H](c1ccccc1)c1ccncc1 67964543 WVMFDEOWYPOCNY-IBGZPJMESA-N 323.396 2.300 0 50 DEAA O=C(NCCN1CCC[C@H](c2ccccc2)C1)C1CCOCC1 67784068 ROEQVTXYCBSCSH-SFHVURJKSA-N 316.445 2.409 0 50 DEAA CN(CCC(=O)NCc1ccco1)Cc1n[nH]c2c1CCCC2 67772825 BRMPGXKAFOJMSR-UHFFFAOYSA-N 316.405 2.020 0 50 DEAA Cc1cnc([C@@H](C)NC(=O)N2CC[C@@H](c3nccn3C)C2)s1 332760646 KLTWEJJDFDCZFK-VXGBXAGGSA-N 319.434 2.445 0 50 DEAA C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1c1nccn2cnnc12 284559812 HYGRXRFTOWFBCR-XEZPLFJOSA-N 301.394 2.034 0 50 DEAA Cn1cc(C(=O)CCC(=O)N2CCS[C@@H]3CCCC[C@H]32)cn1 253428141 HKAUUUBYOJKQNU-UKRRQHHQSA-N 321.446 2.270 0 50 DEAA COc1cccc2c(=O)n(Cc3cnc4ccccn34)cnc12 32534791 VJLWACXJHQGTHW-UHFFFAOYSA-N 306.325 2.101 0 50 DEAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)NC3CCCC3)C2)c1 219554976 ALPCEUIWSUGBOD-AWEZNQCLSA-N 315.417 2.302 0 50 DEAA COc1cc(C(=O)N[C@@H](C)CO[C@@H]2CCOC2)ccc1Cl 124342772 CZVQLMKEFLPXQP-CMPLNLGQSA-N 313.781 2.272 0 50 DEAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccsc1 219467540 RQJQKZSZMVAWHM-CHWSQXEVSA-N 324.427 2.309 0 50 DEAA CC[C@@H](COC)NC(=O)N1CCC(O)(c2ccccc2)CC1 184966790 WPNFGOJUXHCWNW-HNNXBMFYSA-N 306.406 2.105 0 50 DEAA CC(C)(C)CN1C[C@H](NC(=O)CCOc2ccccc2)CC1=O 12718695 CUZQQLFRARICSD-CQSZACIVSA-N 318.417 2.219 0 50 DEAA COc1cc(C)nc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)c1 284766451 XABNZFVFEKWIOK-KSZLIROESA-N 320.433 2.415 0 50 DEAA CSc1ccccc1N1C(=O)CN(Cc2cc[nH]n2)C[C@@H]1C 67803248 WIWPLQKHRWLYPY-LBPRGKRZSA-N 316.430 2.369 0 50 DEAA Cc1nc(-c2cc(C(=O)N3CC[C@H](C(=O)O)C3)co2)cs1 237789815 TXONWXZIUCNTCM-VIFPVBQESA-N 306.343 2.258 0 50 DEAA CCCc1nnc2sc([C@@H](C)Cn3nc(C)nc3C)nn12 71416315 JMNMFOQTXTVFDL-QMMMGPOBSA-N 305.411 2.150 0 50 DEAA CCOc1cccc(C(=O)N2C[C@@H](COC)OC(C)(C)C2)c1 285512982 NWOXDBJOAIAOQR-HNNXBMFYSA-N 307.390 2.351 0 50 DEAA O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H](c2cc[nH]n2)C1 607853937 IFFZUYHGVFCFGH-CQSZACIVSA-N 322.372 2.010 0 50 DEAA CCc1nsc(N2CC[C@@H](Oc3cccnc3N(C)C)C2)n1 240471593 GCZKEDDLGVFEJI-LLVKDONJSA-N 319.434 2.219 0 50 DEAA CN1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 240668572 HNNASAHHWJHEPQ-WNRNVDISSA-N 319.493 2.051 0 50 DEAA CC(C)(O)CN(C(=O)NCCc1ccc2c(c1)CCO2)C1CC1 242100074 WEDILEXRCITSEA-UHFFFAOYSA-N 318.417 2.109 0 50 DEAA O=C(c1ccccc1-c1ccc(F)cc1)N1CCOC[C@@H]1CO 219768250 MLLRCHLVMJWIFN-HNNXBMFYSA-N 315.344 2.326 0 50 DEAA COC[C@@H]1CN(C(=O)Nc2cccc(-c3ncco3)c2)CCO1 179153301 ANRVUOJLSVAZSD-AWEZNQCLSA-N 317.345 2.221 0 50 DEAA Cc1ccn(-c2ccccc2NC(=O)NC2(CO)CCC2)n1 178193611 INHDPRPDWVMIAP-UHFFFAOYSA-N 300.362 2.217 0 50 DEAA C[C@@H]([C@H]1COc2ccccc2O1)n1cnc2cccnc2c1=O 43073278 PJDGOYMOOZFCEP-XHDPSFHLSA-N 309.325 2.193 0 50 DEAA CC[C@]1(CNC(=O)c2cncnc2C)OCCc2ccccc21 291113520 CUKVFEUWXYSWGE-GOSISDBHSA-N 311.385 2.393 0 50 DEAA CCCc1cc(C(=O)N2CCC(O)(c3cccnc3)CC2)no1 82121289 BKURREFZHLPGKO-UHFFFAOYSA-N 315.373 2.146 0 50 DEAA CCC[C@H]1C(=O)NCCN1C(=O)c1cc(C)nc2ccccc12 179384147 LWGFZSQUZHDJEH-INIZCTEOSA-N 311.385 2.284 0 50 DEAA Cc1c(CNc2cc(C3CC(N)C3)nc(C3CC3)n2)cnn1C 222788517 NKEGZBDETLIAKA-UHFFFAOYSA-N 312.421 2.213 0 50 DEAA C[C@@](O)(CNC(=O)c1c[nH]c(C(F)(F)F)c1)C(F)(F)F 293322957 FPDIGPMKGCYYRC-MRVPVSSYSA-N 304.190 2.077 0 50 DEAA O=C(C[C@H]1CCc2ccccc21)N1CCN(c2ncccn2)CC1 91594335 GSLFTOMNVDMTEL-MRXNPFEDSA-N 322.412 2.245 0 50 DEAA COc1ccc2c(c1)OC[C@@H](CNc1nccnc1OC)C2 92028877 OXHRMVCPCUJECN-LLVKDONJSA-N 301.346 2.157 0 50 DEAA COCCCN1CC[C@H](CNC(=O)Nc2ccc(C)nc2C)C1 96179998 OYPBLNUZMIXNSQ-OAHLLOKOSA-N 320.437 2.178 0 50 DEAA Cc1ccsc1CN(C)c1cc([C@H]2C[C@@H](N)C2)nc(N)n1 243892549 AIQGRMCEOHBMRI-PHIMTYICSA-N 303.435 2.270 0 50 DEAA COCc1c(C(=O)NCc2cccnc2)cnn1-c1ccccc1 184870070 KAOODTASSSSKGG-UHFFFAOYSA-N 322.368 2.344 0 50 DEAA COc1cc(C(=O)Nc2cc(N(C)C)ncn2)cc(OC)c1C 298567816 HAMIUPFMMINLBZ-UHFFFAOYSA-N 316.361 2.121 0 50 DEAA CC(C)CCc1cc(C(=O)N[C@@H](CO)c2ccccc2)n[nH]1 252482975 DRLNFQCJSKPDDY-INIZCTEOSA-N 301.390 2.462 0 50 DEAA CCc1ncc(C(=O)NCC2(N(C)C)CCCCCC2)cn1 534675215 QNHHWGGYQMNEBH-UHFFFAOYSA-N 304.438 2.423 0 50 DEAA CC(C)Cn1cncc1CNC(=O)[C@@H](C)n1cc(Cl)cn1 299760647 QEGZNAYFJIABSQ-LLVKDONJSA-N 309.801 2.266 0 50 DEAA COCc1nc(Cc2csc(C)n2)n(-c2cccnc2)n1 670473644 CJFBWTYPXLARBP-UHFFFAOYSA-N 301.375 2.164 0 50 DEAA CCOc1ccc(NC(=O)[C@@H]2C[C@H](C)[C@@H](C(=O)O)O2)c(F)c1 630294519 NNPFBDPRMHFGPE-HJIKLVIJSA-N 311.309 2.041 0 50 DEAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)c1ncnc2[nH]ccc12 670448092 ICGYATRUKVNHMY-LBPRGKRZSA-N 313.405 2.185 0 50 DEAA O=C(c1cc(O)nc(C2CC2)n1)N1CC[C@]2(CCSC2)C1 1875296623 GNYOEPXHHJLGMX-HNNXBMFYSA-N 305.403 2.029 0 50 DEAA COc1ccc2[nH]c(C(=O)N3C[C@@H](CO)C[C@H]3C)cc2c1OC 1875299091 YNBOVCZLSWCXPZ-MNOVXSKESA-N 318.373 2.028 0 50 DEAA O=C(C[C@H]1CC2(CC2)CO1)NC12CCC(C(=O)O)(CC1)CC2 1875304469 LEDVTWQDHDCRNZ-CDEQTRAXSA-N 307.390 2.239 0 50 DEAA Cc1ccc2cc(CN[C@@H](C)[C@@H]3CN(C)CCN3C)ccc2n1 952882962 LRISPSWSUZYSDG-KXBFYZLASA-N 312.461 2.267 0 50 DEAA OC[C@@H]1C[C@H](F)CN1C[C@@H](O)c1ccc(Cl)c(Cl)c1 878478343 GQZRFXWFOSSVQV-OUJBWJOFSA-N 308.180 2.432 0 50 DEAA OC[C@H]1CCCCN1CCNCc1c(Cl)cncc1Cl 952990877 XVWDCDJSKCFPES-LLVKDONJSA-N 318.248 2.325 0 50 DEAA CNC(=O)c1ccc(NC(=O)c2cnc(SC)nc2)c(C)c1 952979381 SMAPABFGFNUVQH-UHFFFAOYSA-N 316.386 2.119 0 50 DEAA O=C(NCC1CCN(c2ncccc2F)CC1)c1cscn1 952966132 IDKIAWBZYGEUNX-UHFFFAOYSA-N 320.393 2.324 0 50 DEAA COc1ccc(CN2C[C@H](OC)C[C@H]2c2nc(C)c(C)[nH]2)cn1 888102856 QWFHNXNJEPKUDC-CABCVRRESA-N 316.405 2.392 0 50 DEAA CNc1nc(CN2CCN(C3CCSCC3)CC2)cs1 244874419 XAZUSSATNFHMOG-UHFFFAOYSA-N 312.508 2.198 0 50 DEAA Cc1nc(CN2CCC[C@@H]2c2ncc(C(=O)O)cn2)oc1C 1777499167 GFIANAGANRSREH-GFCCVEGCSA-N 302.334 2.117 0 50 DEAA N[C@@H]1CC12CCC(NC(=O)c1ccc(-c3cnc[nH]3)cc1)CC2 1775961424 ZCIWAEDVQAKBSW-BFHRDPOASA-N 310.401 2.467 0 50 DEAA Cc1ncc(C)c(NC(=O)NC[C@](C)(O)c2cccc(F)c2)n1 1775994600 MBJXHDRNTSVNIA-INIZCTEOSA-N 318.352 2.262 0 50 DEAA COc1ccccc1C[C@H](CNC(=O)[C@@H]1[C@H]2CCC[C@H]21)C(=O)O 271888267 GRHZSGVFZCPMAX-NYTXWWLZSA-N 317.385 2.101 0 50 DEAA COc1ccccc1SC[C@H](C)CN1C(=O)N[C@H](C)C1=O 170592540 DOPNLVAEOIBRAO-GHMZBOCLSA-N 308.403 2.364 0 50 DEAA Cn1c(S)nnc1CCNC(=O)c1cccc2ccccc12 170621481 CEXMUHYCZQAROU-UHFFFAOYSA-N 312.398 2.230 0 50 DEAA C[C@H]1CN(c2cc(N3CCS[C@@H](C)C3)ncn2)CCS1 222335914 HFFMJTKHIXLKML-RYUDHWBXSA-N 310.492 2.360 0 50 DEAA C[C@H](NC(=O)NCC[C@H](C)[S@](C)=O)[C@H]1COc2ccccc21 225319629 CEWAMPUSJVUINK-IJCNEDTMSA-N 324.446 2.007 0 50 DEAA c1ccc([C@H](N[C@H]2CCN(c3ccccn3)C2)c2nnc[nH]2)cc1 225634787 CSSHPDDIXKHKCB-RDJZCZTQSA-N 320.400 2.158 0 50 DEAA CCOc1nc(C(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)co1 642967698 OWFXAQNXGDWNPX-QWHCGFSZSA-N 306.362 2.247 0 50 DEAA O=C(N[C@H]1CC[C@@H](CO)CC1)c1csc(Br)n1 585132110 OLSRMFAWLOCALW-OCAPTIKFSA-N 319.224 2.187 0 50 DEAA Cn1c(CCC(N)=O)nnc1SC[C@H]1CC2CCC1CC2 585119009 MOKPLCUCNNCDNT-HTAVTVPLSA-N 308.451 2.151 0 50 DEAA O=C1C[C@H](Cc2ccccc2)C(=O)N1C[C@H](O)c1ccccc1 191402610 LNFKXJVPGGJBGS-IRXDYDNUSA-N 309.365 2.338 0 50 DEAA CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(F)ccc1OC(F)F 657420829 BEZJRCIGYKHJHX-RYUDHWBXSA-N 316.323 2.431 0 50 DEAA COc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2nccs2)c1 1614994212 RLKOLSXPHZQUQS-JTQLQIEISA-N 312.416 2.500 0 50 DEAA C[C@H]1C(=O)N([C@@H]2COc3ccc4ccccc4c3C2)C(=O)N1C 1616043154 QILAPQBMCTXDDW-AAEUAGOBSA-N 310.353 2.426 0 50 DEAA CC[C@H](NC(=O)c1onc2ncccc12)c1cn2cccnc2n1 1775980536 YWAKZBVUCHJFFR-NSHDSACASA-N 322.328 2.147 0 50 DEAA COCCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 12406086 LAMWGIMCWXMPKW-UHFFFAOYSA-N 316.332 2.454 0 50 DEAA Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)CCC2 18223047 KSRBNBSBLOKDKM-UHFFFAOYSA-N 323.400 2.026 0 50 DEAA O=C(COC[C@H]1CCCO1)N1CCc2c(Cl)cccc2C1 153331766 NHRQNNDDPGRSND-CYBMUJFWSA-N 309.793 2.420 0 50 DEAA CCOc1cccc2c1O[C@@]13CCCO[C@H]1[C@H]2NC(=O)N3C 1857532704 KKFQISYQGHHLFT-NOLJZWGESA-N 304.346 2.049 0 50 DEAA CCOc1ccc(CC(=O)N[C@@H](CCC(C)(C)C)C(N)=O)cc1 239475402 AOBBLLQEDVHOQM-HNNXBMFYSA-N 320.433 2.424 0 50 DEAA Cc1csc(N2CCN(c3nc(C)nc(C)c3F)CC2)n1 356766430 FAJQBIGFDGJCPI-UHFFFAOYSA-N 307.398 2.324 0 50 DEAA CNC[C@@H]1CCCN(C(=O)Cc2ccccc2OC(C)C)C1 158910967 JTFVIVZGYPMIBV-HNNXBMFYSA-N 304.434 2.474 0 50 DEAA C[C@H]1CCCN(C(=O)CNc2ccc(S(C)(=O)=O)cc2)CC1 585121599 TWIMEQHCVYKHCR-ZDUSSCGKSA-N 324.446 2.151 0 50 DEAA CCOC(=O)c1cnc(N[C@H]2C(=O)NCC2(CC)CC)s1 929084853 OMBZJEPVTDRQIY-JTQLQIEISA-N 311.407 2.037 0 50 DEAA CN(C)CCn1ccc(NC(=O)c2coc3cc(O)ccc23)n1 931199988 OIZLFRRMLHSRBQ-UHFFFAOYSA-N 314.345 2.149 0 50 DEAA O=C(CCn1cnnn1)Nc1cc(C(F)(F)F)ccc1Cl 4721501 XBEMKMHWZBWDKL-UHFFFAOYSA-N 319.674 2.374 0 50 DEAA COCCC1(NC(=O)C[C@H]2CCCC3(CCC3)O2)CCNCC1 2325774641 FOMLKZWLNFCREM-OAHLLOKOSA-N 324.465 2.143 0 50 DEAA COc1ccc(-c2nnc(NC(=O)c3ccnn3C)s2)cc1 6725494 IZRRZIRFDCUJEH-UHFFFAOYSA-N 315.358 2.200 0 50 DEAA CC[C@]1(CO)CCCN(Cc2ccccc2C(=O)N(C)C)C1 417983674 CJKGBKMBPKCNMX-SFHVURJKSA-N 304.434 2.373 0 50 DEAA Cc1nsc(NC(=O)N2CCC([C@H](O)CC(C)C)CC2)n1 55402673 VVZDEUZFZWMBSP-GFCCVEGCSA-N 312.439 2.497 0 50 DEAA CCO[C@@H]1C[C@H](NC(=O)c2ccc[nH]2)[C@H]1Oc1ccccc1 249122316 HQGDATIROYIIDU-ARFHVFGLSA-N 300.358 2.370 0 50 DEAA C[C@](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)(C(=O)O)C1CC1 110708983 HWUBBWGUEBGPTL-KCWFYHRYSA-N 309.312 2.438 0 50 DEAA Clc1ccc(-n2cnnc2CCCN2CCOCC2)cc1 67675127 SGKPVPIHMOMBLI-UHFFFAOYSA-N 306.797 2.186 0 50 DEAA Cc1ccc([C@@H]2C[C@H]2C(=O)OC[C@H]2CCCN2C(N)=O)s1 252669965 JDDJMNRQSFCQRZ-IJLUTSLNSA-N 308.403 2.246 0 50 DEAA Cc1cccn2c(=O)cc(CN3CCO[C@@H]4CCCC[C@H]43)nc12 230082399 VQIWMSUGLNAIKD-HZPDHXFCSA-N 313.401 2.146 0 50 DEAA 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COc1ccc(F)cc1CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1 285102049 KJODBHXJYPUPKG-KGLIPLIRSA-N 315.410 2.280 0 50 DEAA C/C=C/c1ccc(OCC(=O)N2C[C@H](C)N[C@@H](C)C2)c(OC)c1 153628694 RBYBORKQZNQOOH-BEVHLOIGSA-N 318.417 2.316 0 50 DEAA C[C@@H]1C[C@H]1c1ccc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)o1 328650642 VPKNZOZXZWNRSX-YUSALJHKSA-N 316.361 2.222 0 50 DEAA OCCN[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 366444583 RVLITGUENMARMJ-MAUKXSAKSA-N 317.360 2.159 0 50 DEAA Cc1ccccc1C[C@H](CO)NC(=O)[C@@H]1CCO[C@H]1C(C)C 331220959 UUWDZKCFUQVDOC-ZACQAIPSSA-N 305.418 2.076 0 50 DEAA Cc1ccccc1C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 487022284 PXYUZHIXWZYTFV-HNNXBMFYSA-N 315.417 2.213 0 50 DEAA CN(C)CCn1c2c(c3ccccc31)CCS(=O)(=O)CCC2 71769127 ZPZMBHVDEKYYEE-UHFFFAOYSA-N 320.458 2.106 0 50 DEAA CCCN(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C(=O)NC)cc1 241630895 PMGKOIPPVLSHRU-HZPDHXFCSA-N 317.433 2.177 0 50 DEAA COC(=O)[C@H]1CCc2sc(NC(=O)N3CCCC3)nc2C1 331775200 OIAHBKKHZJWLNJ-VIFPVBQESA-N 309.391 2.049 0 50 DEAA C[C@@H](CN1CCN(C)CC1)NC(=O)/C=C1/CCCCC1(C)C 127251860 ZAZGWTGWTXCFSJ-WSTOHFRZSA-N 307.482 2.265 0 50 DEAA COc1cc(C(=O)N2CCNC[C@H]2C)ccc1OCC(C)C 125381383 PWKDQWVDABYFRH-CYBMUJFWSA-N 306.406 2.164 0 50 DEAA C[C@@]1(CNC(=O)N2CCC[C@H]2c2cccs2)CCC(=O)N1 333696887 RCXAMJCFYNEAPT-NHYWBVRUSA-N 307.419 2.263 0 50 DEAA CCOCCn1nc(C)cc1C(=O)N(C)[C@@H](C)c1ccccn1 219385718 KMRWIMNJTGJSHC-AWEZNQCLSA-N 316.405 2.456 0 50 DEAA CC[C@H]1CN(Cc2cnc(N3CCCC3)nc2)CCN1C(C)C 72147573 KXRINWKLRLZYRV-KRWDZBQOSA-N 317.481 2.381 0 50 DEAA CCOc1ccc(C(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 177697696 KSWVQESTUXXWLN-CQSZACIVSA-N 300.362 2.250 0 50 DEAA CC(C)(N)c1cn(C2CCN(c3ncccc3Cl)CC2)nn1 48121588 FGWBNCHKQGSQNG-UHFFFAOYSA-N 320.828 2.362 0 50 DEAA O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N1CCCC1 49548501 GGQSKIWGIGSBSU-UHFFFAOYSA-N 317.776 2.186 0 50 DEAA NC[C@@H]1CCN(C(=O)/C=C/c2ccc(Br)cc2)C1 178556787 VXJASIPTKMSEBD-UXONFWTHSA-N 309.207 2.270 0 50 DEAA Cn1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2)cc1=O 89363896 UWJOJKXBAVFOKP-UHFFFAOYSA-N 307.353 2.065 0 50 DEAA C[C@H](CS(C)(=O)=O)Nc1cccc(N2CCCCC2=O)c1 179844137 CUSUOAJYPJEXQM-GFCCVEGCSA-N 310.419 2.049 0 50 DEAA O=C(NCc1cccnc1)[C@H]1CCCN(c2ccccc2)C1=O 292541131 QSAPHBQNRIVQMG-MRXNPFEDSA-N 309.369 2.141 0 50 DEAA C[C@@H]1CN(C(=O)NCCc2ccccc2F)C[C@@]1(O)C1CC1 91350978 CARMTPSGFJPNCH-PXAZEXFGSA-N 306.381 2.171 0 50 DEAA COc1ccc(OC)c([C@H]2CCN(c3nccnc3OC)C2)c1 95498813 PKJNZGTWXORZHF-LBPRGKRZSA-N 315.373 2.496 0 50 DEAA O=C(c1ccc(Cl)cc1)N1C[C@H](CO)[C@H](CN2CCCC2)C1 91425802 DBHMCQLVFGSMPB-HUUCEWRRSA-N 322.836 2.116 0 50 DEAA O=C(N[C@H]1CCOc2c(F)cccc21)c1cnn2c1CCC2 294964569 POFFMGPWDMTNGR-ZDUSSCGKSA-N 301.321 2.222 0 50 DEAA Cc1c[nH]c(CN2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)c(C)c1=O 91872051 WYFOOVJRGAQLMK-DLBZAZTESA-N 315.461 2.298 0 50 DEAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@H](O)c1ccc(F)cc1F 239527567 ATCOLGMMNCEYMB-GYSYKLTISA-N 309.312 2.173 0 50 DEAA O=C(O)[C@]12COc3ccccc3[C@H]1CN(Cc1cccnc1)C2 95371493 GFUFOBYQHMMPEQ-CRAIPNDOSA-N 310.353 2.144 0 50 DEAA CC1(C)CN(C(=O)c2cn3cc(Cl)cnc3n2)CC[C@]1(C)O 91907799 HANIKTACLIEWIA-HNNXBMFYSA-N 322.796 2.006 0 50 DEAA Cc1ncsc1CCCNc1cc([C@H]2C[C@@H](O)C2)nc(N)n1 240824948 QMOIMJVPUYRJST-PHIMTYICSA-N 319.434 2.107 0 50 DEAA CC(C)Cc1nc(CN(C)[C@H](C)C(=O)NC2CCCC2)no1 244842348 UPBANXUTNNPRKZ-GFCCVEGCSA-N 308.426 2.147 0 50 DEAA CNC(=O)[C@@H]1CCCCN1Cc1noc(-c2ccc(C)cc2)n1 244633525 GEKXWJHNJADNLX-AWEZNQCLSA-N 314.389 2.146 0 50 DEAA CC(C)Nc1ccc(-c2cnc(N3CCC[C@H](O)C3)nc2)cn1 629759243 LUCYFZMHMZPSFM-HNNXBMFYSA-N 313.405 2.320 0 50 DEAA CCCO[C@H]1CCCN(C(=O)Nc2ccc3[nH]nnc3c2)C1 299768895 ZUOYYXXQGPFOCG-LBPRGKRZSA-N 303.366 2.381 0 50 DEAA COc1ccc(C(=O)N[C@@H](C)c2nnc(C(C)C)o2)c(OC)n1 299763947 HRNQZRFNLGAVGG-VIFPVBQESA-N 320.349 2.096 0 50 DEAA CC[C@@H](NS(=O)(=O)N(C)CC)c1nc2ccc(C)cc2[nH]1 822663362 VENPHLHNPSDRHG-LLVKDONJSA-N 310.423 2.109 0 50 DEAA COc1cccc2ncn(C[C@H](C)N3CCCCC3)c(=O)c12 584895158 MQCPBRWZHRPAMD-ZDUSSCGKSA-N 301.390 2.280 0 50 DEAA CNc1nnc(SCC[C@H](C(F)F)N2CCOCC2)s1 1775999551 UEJGJFMLVWBREQ-MRVPVSSYSA-N 324.422 2.028 0 50 DEAA C=CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 1356508767 CUYJKWKSDBLTBG-UHFFFAOYSA-N 314.794 2.249 0 50 DEAA CCOc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OC)cc1Cl 1565508025 SWKKXRGFCSQNOE-JSGCOSHPSA-N 313.781 2.272 0 50 DEAA CN(Cc1cccc(F)c1)C(=O)c1cn(C)nc1[C@H]1CCOC1 275380042 YZXFCQFGEAOCKM-ZDUSSCGKSA-N 317.364 2.335 0 50 DEAA Cc1cc(C)nc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c1 275720336 HGKKPJXYHIENEL-DZGCQCFKSA-N 300.362 2.148 0 50 DEAA O=C(CCOc1ccccc1)NCc1ccnc(-n2cccn2)c1 170605819 OLWRTNYKQKUPCK-UHFFFAOYSA-N 322.368 2.353 0 50 DEAA Cc1nnc(-c2ccccc2C(=O)O[C@@H]2CCN(CCF)C2)o1 170617260 LAHCBUHPFHABGY-GFCCVEGCSA-N 319.336 2.246 0 50 DEAA Cc1ocnc1C(=O)N(Cc1ccccn1)[C@@H]1CCCNCC1 186600865 XCKDVMKLCCXZIE-OAHLLOKOSA-N 314.389 2.163 0 50 DEAA CC(C)(C)n1ncc2c(O)nc(NC[C@@H]3CCC[C@@H](O)C3)nc21 301395509 LLOALRPTEYQGDZ-GHMZBOCLSA-N 319.409 2.250 0 50 DEAA Cc1ccc(N2CCCN(Cc3nccn3C(F)F)CC2)nn1 171549873 NGOJYRFUZDYAAE-UHFFFAOYSA-N 322.363 2.089 0 50 DEAA CCCC[C@](C)(F)c1nc(-c2c(O)nc(=O)n(C)c2C)no1 634677897 BQVQONFPDDCQGF-AWEZNQCLSA-N 310.329 2.219 0 50 DEAA COc1ccc([C@@H](NC(=O)NC[C@@H](C)O)C(F)(F)F)cc1F 408514711 QFWUFHODWYIJCD-RDDDGLTNSA-N 324.274 2.118 0 50 DEAA CO[C@H]1C[C@H](c2nc(C)no2)N(CCCCn2ccnc2C)C1 189326780 COGDFVAFCMEPTE-LSDHHAIUSA-N 319.409 2.125 0 50 DEAA CCOC[C@@H]1CCN(C(=O)c2ncc(Br)s2)C1 189473047 PZMQXUBSIAXSPB-MRVPVSSYSA-N 319.224 2.404 0 50 DEAA O=C(Nc1ccc2scnc2c1)N[C@@H]1CCc2ncnn2C1 190089816 LKWZTCODCYKWKF-SNVBAGLBSA-N 314.374 2.024 0 50 DEAA Cc1nc([C@H]2CCN(Cc3nc(-c4ccccc4)no3)C2)n[nH]1 581356288 GBHPQZCYNJCUTL-ZDUSSCGKSA-N 310.361 2.153 0 50 DEAA CO[C@H]1CCCN(C(=O)CCC(=O)N(C)C2CCCCC2)C1 1506427739 ZTCIHMMKTSHZEY-HNNXBMFYSA-N 310.438 2.195 0 50 DEAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccccc3C)CCN12 1529114695 SUGBEEULNHTFNV-JKSUJKDBSA-N 302.418 2.320 0 50 DEAA O=S1(=O)C=C[C@H]2ON=C(c3c(Cl)cccc3Cl)[C@H]21 5063136 ZIMMRAPYLIQKNA-KCJUWKMLSA-N 304.154 2.407 0 50 DEAA O=C(N[C@@H]1CCN2CCC[C@H]2C1)[C@]1(c2ccccc2)CCCN1 1616032171 ROPRXSIEGBZRPK-ZIFCJYIRSA-N 313.445 2.008 0 50 DEAA Cc1ccc(-c2cc(CN3CCOC[C@@H](C(=O)O)C3)on2)cc1 1772806999 NUBDRMFPVQZKQV-AWEZNQCLSA-N 316.357 2.183 0 50 DEAA CSCC(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 12305503 RBTYLZAXMMXQML-UHFFFAOYSA-N 305.378 2.464 0 50 DEAA C[C@H]1C[C@@H](C)CN(C(=O)CCN2C(=O)c3ccccc3C2=O)C1 16552362 QQRSAZFRYMGMSE-BETUJISGSA-N 314.385 2.177 0 50 DEAA O[C@H](CN1CCNCC1)Cn1c2ccccc2c2ccccc21 19376182 WATOFYBPVZCCCL-OAHLLOKOSA-N 309.413 2.061 0 50 DEAA C[C@H]1CN2C[C@@H](NC(=O)c3c(F)cccc3Cl)C[C@H]2CO1 1857719281 ICDSOOMNDGQSTO-DCAQKATOSA-N 312.772 2.071 0 50 DEAA CCc1nc(C)c(NC(=O)N2CCN(C(C)=O)C[C@H]2C)s1 408392661 GJEDAGZWIBJNEB-SECBINFHSA-N 310.423 2.098 0 50 DEAA CCN(CC)C(=O)Oc1ccc(NC(=O)N2CCOCC2)cc1 4279601 FMMBHMAMJACAJL-UHFFFAOYSA-N 321.377 2.391 0 50 DEAA CC(C)c1cccc(O[C@H](C)C(=O)N(C)c2nncn2C)c1 328590181 VWPZEHDXJWSNRC-GFCCVEGCSA-N 302.378 2.369 0 50 DEAA O=S1(=O)CCC[C@H](NCc2cnc(C3CCCC3)s2)C1 329294913 SGCJEPKHIZHGEK-LBPRGKRZSA-N 314.476 2.468 0 50 DEAA CC(C)OCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 248326715 CAAJEGGNFWUIJZ-NIFZNCRKSA-N 301.452 2.156 0 50 DEAA Cc1cc(N2CCN(CCCCC3CCOCC3)CC2)n[nH]1 252509537 YPXUPHRLSWHPGZ-UHFFFAOYSA-N 306.454 2.437 0 50 DEAA CCC[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C(C)C)nc1 252500914 TZFFQDAWEQJZTG-OAHLLOKOSA-N 304.438 2.027 0 50 DEAA Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H](CO)C(C)(C)C 253392284 OESYWXGXTJNDEJ-AWEZNQCLSA-N 319.380 2.457 0 50 DEAA Nc1cccc(CC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)c1 262365489 WVFLSYQOQZAPAD-QEJZJMRPSA-N 302.374 2.056 0 50 DEAA CCC[C@@]1(CO)CCN(C(=O)NCc2ccc(C(=O)O)cc2)C1 263322992 ASLUEIJMCMKUTL-QGZVFWFLSA-N 320.389 2.079 0 50 DEAA Cc1nnc(CN(C)[C@H]2CCN(c3ccccc3Cl)C2=O)o1 264737037 REDIKSDMHWPQFL-ZDUSSCGKSA-N 320.780 2.269 0 50 DEAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)c1occc1Br 263256077 UCNNJFPWXRFHRS-YUMQZZPRSA-N 316.151 2.367 0 50 DEAA COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1 100064488 HQEHIMYMQAMNDY-LWWSYDQCSA-N 311.337 2.175 0 50 DEAA O=c1ccccn1CCN1CC[C@H](n2ncc3ccccc32)C1 2325730299 XMJIYXOJVJVMCQ-INIZCTEOSA-N 308.385 2.145 0 50 DEAA O=S1(=O)CCC(Cn2ccnc2SC(F)(F)F)CC1 2325777560 LHRIHNFQOLCTMM-UHFFFAOYSA-N 314.354 2.320 0 50 DEAA COC[C@@]1(C(=O)N2CC(C[C@H]3C[C@H]4CC[C@H]3C4)C2)CCCO1 2325794244 VRCAQMQOYFBKHG-KMANFZQXSA-N 307.434 2.467 0 50 DEAA CN(C)CCc1cccc(C(=O)Nc2ccc3ncnn3c2)c1 2325856215 GEYNLJZAZYOTIB-UHFFFAOYSA-N 309.373 2.086 0 50 DEAA Cc1cccc(CN2CCC[C@@H]2CN=c2nc3cn[nH]c3c[nH]2)c1 2325857883 SMYZGKRBKYNJQL-OAHLLOKOSA-N 322.416 2.160 0 50 DEAA Cc1cc([C@]2(C)NC(=O)N(Cn3cc(Cl)cn3)C2=O)c(C)o1 882113325 HHTVDIUENUVNPO-AWEZNQCLSA-N 322.752 2.171 0 50 DEAA OC[C@@H](Cc1cccc(O)c1)[C@@H](CO)Cc1cccc(O)c1 388656 DWONJCNDULPHLV-HZPDHXFCSA-N 302.370 2.100 0 50 DEAA biogenic,in-vitro O=C(Nc1ccc(Br)cc1Cl)Nn1cnnc1 621606 CCSNKWKVTPEEAT-UHFFFAOYSA-N 316.546 2.470 0 50 DEAA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(Cc2ccncc2)C1 344264851 UKAILDJDZLWPTD-STQMWFEESA-N 301.312 2.113 0 50 DEAA O=C(c1ccc(F)cn1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 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PDGHTAFQNDJTIA-UHFFFAOYSA-N 317.370 2.219 0 50 DEAA CC(C)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C 14733869 KRLOFXRRWQQRPE-UHFFFAOYSA-N 315.417 2.324 0 50 DEAA CCNc1ncnc2sc(C(=O)NC[C@H]3CCCO3)c(C)c12 14964162 BIPRWXZWEXCGCA-SNVBAGLBSA-N 320.418 2.340 0 50 DEAA CCC[C@@]1(CO)CN(CCCOc2ccccc2)CC[C@H]1O 1857710344 RYKOBLOVNCSQIS-MSOLQXFVSA-N 307.434 2.301 0 50 DEAA N=c1[nH]c2cc(C(=O)N3CC[C@H](c4cc[nH]n4)C3)ccc2s1 1857718807 UINMZPGZAKSMDF-JTQLQIEISA-N 313.386 2.062 0 50 DEAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1cncs1 709962533 VZILZQLIGLRTEO-KBPBESRZSA-N 318.398 2.247 0 50 DEAA Cc1nscc1C(=O)N1CCCc2cc(C(N)=O)ccc21 120818055 XWNZHRREYRUACX-UHFFFAOYSA-N 301.371 2.143 0 50 DEAA Cc1ccc(C)c(OCC(=O)N2CC[C@H](c3nc(C)no3)C2)c1 331568402 PRNFTEVQTUPGNM-AWEZNQCLSA-N 315.373 2.390 0 50 DEAA Cn1cc(S(=O)(=O)N2CC[C@H](c3ccccc3)C2(C)C)cn1 332134510 KSKBVVJJOBUCMF-OAHLLOKOSA-N 319.430 2.377 0 50 DEAA Cc1ccccc1-n1cc(C(=O)N[C@](C)(C(=O)O)C2CC2)cn1 237733623 CDJDCSFWOYBATG-KRWDZBQOSA-N 313.357 2.164 0 50 DEAA CC(=O)N[C@@H]1CCCN(Cc2cccc(C(=O)O)c2Cl)C1 652389949 QCFOWVWPDWJEQU-GFCCVEGCSA-N 310.781 2.139 0 50 DEAA Cc1nnc2n1C[C@@H](C(=O)N(C)CC1(c3ccccc3)CC1)CC2 673130951 ISFZLCOBQBQGTM-HNNXBMFYSA-N 324.428 2.339 0 50 DEAA O=C1NCCC[C@H]1CNC(=O)C1(c2ccc(F)cc2F)CCC1 253630144 NRRYKALLBFEIJJ-NSHDSACASA-N 322.355 2.029 0 50 DEAA CC1=C(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)SCCO1 583621364 WMIRZHGAHOIEMR-KBPBESRZSA-N 323.389 2.455 0 50 DEAA CNC(=O)Cc1ccc(NC(=O)N2CCC[C@@H]2C2CC2)cc1 590821788 KHNCICQOBGVXAC-OAHLLOKOSA-N 301.390 2.381 0 50 DEAA COc1cc(C)nc(N2CCN([C@@H](C)c3cccnc3)CC2)n1 591887373 NWLORCFOZKYIKQ-AWEZNQCLSA-N 313.405 2.072 0 50 DEAA O=C(c1nncc2ccccc12)N1CCC[C@H](n2ccnc2)C1 931884207 FZAASGWTOLPWIY-AWEZNQCLSA-N 307.357 2.304 0 50 DEAA O=C(O)CN(C1CCC1)S(=O)(=O)c1cccc(Cl)c1F 653496126 FQCYAOMNXSUYDE-UHFFFAOYSA-N 321.757 2.107 0 50 DEAA Cc1ccc(Cn2cc(C[C@@H](C)O)nn2)cc1Br 709172498 DXIOLHZZTJOQFI-SNVBAGLBSA-N 310.195 2.321 0 50 DEAA C[C@@H](NC(=O)C(=O)NCCOc1ccccc1)c1ccccc1 3094720 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Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3)CC2)no1 252587616 ZLRFVKDYSSOPHZ-ZNMIVQPWSA-N 318.421 2.005 0 50 DEAA O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@@H](n2cncn2)C1 229437561 GYZKBTLPHSRTAG-BZUAXINKSA-N 314.364 2.384 0 50 DEAA Cc1cccn2c(CC(=O)NC[C@H](C)Oc3cccnc3)cnc12 65527301 SJIYVZMRNQEUIG-AWEZNQCLSA-N 324.384 2.164 0 50 DEAA CCc1nn(C)c(CC)c1CN1C[C@@H](CC)O[C@]2(CCOC2)C1 253427598 CUTCLKBSVPAFHR-RDTXWAMCSA-N 321.465 2.315 0 50 DEAA Cn1cc(C(=O)CCC(=O)N2CCS[C@H]3CCCC[C@H]32)cn1 253428140 HKAUUUBYOJKQNU-HIFRSBDPSA-N 321.446 2.270 0 50 DEAA C[C@@H]1OCC[C@@]12CN(C(=O)Cc1ccc(Cl)s1)CCO2 282834879 VQJNIVBFINTYLC-IINYFYTJSA-N 315.822 2.350 0 50 DEAA O=C(Nc1ccc2[nH]nnc2c1)c1ccnc(OCC(F)F)c1 121367002 GKNUJUDQKHLKRP-UHFFFAOYSA-N 319.271 2.249 0 50 DEAA COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=O)NC1=O 1402224 QVTYLMVJZLDILX-UXBLZVDNSA-N 302.311 2.278 0 50 DEAA CC[C@H](C(=O)N1CCCC1)N(c1cccc(C)c1)S(C)(=O)=O 65364162 XVPCSLPHAQOEEI-OAHLLOKOSA-N 324.446 2.162 0 50 DEAA CN(C[C@H]1CCc2nccn2C1)C(=O)c1cccc2c[nH]nc12 328619545 GAHKUJUQBOWIPJ-GFCCVEGCSA-N 309.373 2.094 0 50 DEAA CCOc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cn1 156169736 IRGKFZKOLSFINK-UHFFFAOYSA-N 316.405 2.348 0 50 DEAA Cc1c([C@H]2OCC[C@@H]2NCc2cccc3c2OCO3)cnn1C 328633652 SSJJJSSDCQJJLK-WMLDXEAASA-N 315.373 2.077 0 50 DEAA CCc1onc(C)c1C(=O)N(C)C[C@@H]1CCc2nccn2C1 328636871 VSPYOZMWLRBKTN-LBPRGKRZSA-N 302.378 2.077 0 50 DEAA CCc1cc(C)c(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)o1 328629605 PAJNMDHJEKLYIL-CYBMUJFWSA-N 302.378 2.002 0 50 DEAA CC(C)C(=O)N1CC[C@H](N[C@@H](C)c2ccc([S@](C)=O)cc2)C1 124086596 KSOJDNPAWNJTGF-LIEFOEBCSA-N 322.474 2.332 0 50 DEAA CCn1ccnc1CN(Cc1ccon1)[C@@H]1CC12CCNCC2 261848727 RIAAZAMAAPJMRQ-OAHLLOKOSA-N 315.421 2.035 0 50 DEAA O=C(CCO)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71755176 BEGJZCCBBXFMCI-GFCCVEGCSA-N 304.173 2.276 0 50 DEAA COc1ccc(CNCCCn2ccnc2)c(OC)c1OC 35360416 DWZOWARJJBSRKV-UHFFFAOYSA-N 305.378 2.089 0 50 DEAA Cc1ccc2c(c1)[C@H](NC(=O)C[C@H]1CCC(=O)NC1)CCC2 333245571 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DEAA O=C(c1cncc(=O)[nH]1)N(Cc1ccncc1)C1CCCCC1 426422066 XIRKBKNXVQVHBF-UHFFFAOYSA-N 312.373 2.140 0 50 DEAA Cc1nc([C@H](C)NC(=O)c2cc(-c3ccccc3F)n[nH]2)n[nH]1 91691202 LNTBWOSTLFXVQC-QMMMGPOBSA-N 314.324 2.133 0 50 DEAA Nc1ncc(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2)cn1 426667352 BUICVCNPNQCSPY-UHFFFAOYSA-N 318.327 2.597 0 50 DEAA Cc1noc(C)c1CN(C)C(=O)c1cccc(-n2cnnc2)c1 91656739 DPMCAQUTMBUHSD-UHFFFAOYSA-N 311.345 2.144 0 50 DEAA CC(C)Cc1cc(C(=O)NCc2ncc3c(n2)CCC3)on1 91871427 PNHVCBNXMQXJHB-UHFFFAOYSA-N 300.362 2.082 0 50 DEAA C[C@@H]1[C@H](O)CCCN1S(=O)(=O)c1csc2ccccc12 295266357 DPJBANXXPXGZQR-ZYHUDNBSSA-N 311.428 2.435 0 50 DEAA CCCn1cc(-c2nc(-c3ccc(C)o3)nn2CCO)c(C)n1 96149037 KODIQFSBSVOIHI-UHFFFAOYSA-N 315.377 2.421 0 50 DEAA Cc1cc(C)n([C@H]2CCN(CCC(=O)Nc3cccnc3)C2)n1 244794733 QSMSVHJDGLFHKN-INIZCTEOSA-N 313.405 2.171 0 50 DEAA C[C@@H](C(=O)N1CCN(C2CCCC2)C(=O)C1)c1ccc(O)cc1 244763861 OWSPAZHQBQDNCU-CYBMUJFWSA-N 316.401 2.109 0 50 DEAA OCC1(CO)[C@H]2[C@H]3[C@H]4[C@H]5[C@H]6[C@H]3[C@H]1[C@@H]1CC[C@H]([C@@H]61)[C@@H]5[C@@H]1C=C[C@@H]2[C@@H]41 257357485 OGSVBLAYJUZANQ-VRWLBIDDSA-N 310.437 2.029 0 50 DEAA COC[C@@H]1CCCN1CC(=O)Nc1ccc(OC)c(Cl)c1 252505806 VTVYEDRRUWWPIW-LBPRGKRZSA-N 312.797 2.398 0 50 DEAA Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1 864097240 QUAJNFVDWDCWOL-ZDUSSCGKSA-N 323.418 2.246 0 50 DEAA CCNCC[C@@H]1CCC(=O)N1[C@H]1CCN(Cc2ccccc2)C1 299785934 PBCAZEOOJYOSSJ-ROUUACIJSA-N 315.461 2.252 0 50 DEAA CCc1nc2cc(NC(=O)CCCNC(C)=O)ccc2n1CC 823582570 IVJGPFBQAGGEFT-UHFFFAOYSA-N 316.405 2.473 0 50 DEAA Cn1ccc2ccc(C(=O)N3CC[C@@H](c4n[nH]cc4N)C3)cc21 864384038 JSGPRPCBLRMMFF-CYBMUJFWSA-N 309.373 2.113 0 50 DEAA CCN(Cc1ccncc1)C(=O)NCCc1noc(C2CC2)n1 584896962 OCRQIYBNROACBQ-UHFFFAOYSA-N 315.377 2.116 0 50 DEAA Cc1cc(C)c(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)cn1 1875293745 ASWRSMXNLDTNIX-NEPJUHHUSA-N 314.389 2.374 0 50 DEAA COc1ccc(CCc2nnc([C@]3(OC)CCOC3)o2)cc1F 886082324 YEMYDNKYZFWTJO-INIZCTEOSA-N 322.336 2.265 0 50 DEAA Clc1cnc(NC[C@H]2CC[C@@H](c3n[nH]c(C4CC4)n3)O2)nc1 1775959018 BXFJMAZREJVKGV-MNOVXSKESA-N 320.784 2.458 0 50 DEAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@H](CO)c1ncc[nH]1 1420212664 KSVWDCFCDBXTRE-TUVASFSCSA-N 323.437 2.037 0 50 DEAA COc1ccc(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)cc1F 1777362302 MRRAPQONMHJOTO-CYBMUJFWSA-N 323.364 2.148 0 50 DEAA C[C@H](c1nccs1)N1CCN(c2ncnc3[nH]ccc23)CC1 274264711 CGMFIYZOOPOAQT-LLVKDONJSA-N 314.418 2.298 0 50 DEAA CC(C)c1nnc(CN2CCC[C@H](Cc3nccn3C)C2)o1 170055033 FYIBLDMGKHUHNR-CYBMUJFWSA-N 303.410 2.381 0 50 DEAA Cc1ccccc1OCC(=O)NCc1ccnc(-n2cccn2)c1 170605811 HPITYBYQSYQOLQ-UHFFFAOYSA-N 322.368 2.271 0 50 DEAA CCO[C@@H]1CCN(C(=O)N[C@H]2CCCn3nccc32)C[C@@H]1C 633627692 RYIDXBXXZCOOCD-KCQAQPDRSA-N 306.410 2.175 0 50 DEAA O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1COc2ccccc21 172001397 MGRVRKNMSCEAGT-CYBMUJFWSA-N 307.353 2.398 0 50 DEAA CCc1ccccc1CN1CC[C@H](N2CCN(CC)CC2)C1 188986361 URUPNVNYVCXGTL-IBGZPJMESA-N 301.478 2.461 0 50 DEAA CCc1nc(C2CCN(C(=O)c3ncc(F)cc3F)CC2)n[nH]1 192223201 OFLCBAQRECXWMC-UHFFFAOYSA-N 321.331 2.060 0 50 DEAA Cc1cc(C(=O)N2CCCN(c3ccncc3)CC2)ns1 585129936 CEYUFKSPGYNFHK-UHFFFAOYSA-N 302.403 2.199 0 50 DEAA C[C@@H]1CCCN(C(=O)CN2CCC[C@@H](C(F)(F)F)C2=O)C1 1615586344 LRBYGWGPMXQNHO-GHMZBOCLSA-N 306.328 2.046 0 50 DEAA C[C@@H](C(=O)NCc1cccn2nccc12)N1CCCCCC1 1772813934 BSEUSKLDQAIMPH-AWEZNQCLSA-N 300.406 2.215 0 50 DEAA COc1ccc(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)c(F)c1 1777362226 AWWYFYSDHPLAFG-AWEZNQCLSA-N 323.364 2.148 0 50 DEAA CCc1n[nH]c(SCC(=O)N2CCCc3ccccc32)n1 5686679 HMQQVMAMHIBCFA-UHFFFAOYSA-N 302.403 2.439 0 50 DEAA CCN(CC)C[C@H](O)COc1ccc(CNC2CC2)cc1OC 11842429 DHBWZYVBUUWDMT-INIZCTEOSA-N 322.449 2.029 0 50 DEAA Cc1c(C)n(CCCO)c2ncn3nc(-c4cccnc4)nc3c12 13629623 VXMUGJQMDYNVFO-UHFFFAOYSA-N 322.372 2.140 0 50 DEAA CC1(C)CC(=O)c2cc(C(=O)N3CCCCC3)c(=O)[nH]c2C1 13957718 ZTTSYAGXZUCEOT-UHFFFAOYSA-N 302.374 2.156 0 50 DEAA CC(C)(C)[C@H]1C[C@@H](O)CC2(CCN(c3ncccn3)CC2)O1 1857668015 QIALZYVNWTWBMT-ZIAGYGMSSA-N 305.422 2.402 0 50 DEAA COc1cnc(C)cc1C(=O)N(C)CCc1noc(C(C)C)n1 1857676022 NCXLLDNTBYWHMH-UHFFFAOYSA-N 318.377 2.220 0 50 DEAA CCCC[C@@H]1CN(C(=O)c2coc(CN)n2)C[C@H](C(C)C)O1 1857716727 FFVWVLWNINVONU-TZMCWYRMSA-N 309.410 2.189 0 50 DEAA CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(=O)O 8698783 ZGEORLKSWXAMBW-CQSZACIVSA-N 320.389 2.193 0 50 DEAA in-vitro CC[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)c1cccs1 253418280 NYIQIHAKXQLIEY-SNVBAGLBSA-N 317.370 2.355 0 50 DEAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(Cl)cn1)CC2 265965499 JSXGVVKGOYYVCA-KGLIPLIRSA-N 324.808 2.127 0 50 DEAA CO[C@@H]1[C@H]2C[C@@H]3CN(CCOc4ccccc4C(=O)O)[C@@H]1[C@H]3C2 394325886 KMQBZHQLFJTJAW-SAYFZHNOSA-N 317.385 2.119 0 50 DEAA CC(C)c1nc(CN2CCOc3ccccc3[C@@H]2C(=O)O)no1 903928423 PDNRQBZERKDCTL-CQSZACIVSA-N 317.345 2.213 0 50 DEAA COc1cc(C)ccc1CN1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704299348 QUSYJZXTWUDVPX-RTBURBONSA-N 318.461 2.282 0 50 DEAA CCCc1nc(C(=O)N2CCc3occc3[C@H]2C(=O)O)co1 910202077 DWKZZSRYNWITLE-ZDUSSCGKSA-N 304.302 2.044 0 50 DEAA Cc1ccc(C(=O)N2CCO[C@H](c3ncon3)C2)c2ncccc12 935328962 FQFKHBGIIPUMAZ-AWEZNQCLSA-N 324.340 2.140 0 50 DEAA Cc1cc(CN2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)no1 252517364 GQVHCSSNVQJEFT-ROUUACIJSA-N 313.401 2.068 0 50 DEAA Cn1c2c(ccc1=O)[C@@H](NCc1cc3cnccc3[nH]1)CCC2 2325774030 TZYLWSBIPALUBQ-INIZCTEOSA-N 308.385 2.429 0 50 DEAA CC(C)(NC(=O)[C@H]1CCn2ccnc2C1)c1nc2ccccc2[nH]1 2325774244 VHKVEMOGJXXHFI-LBPRGKRZSA-N 323.400 2.373 0 50 DEAA CC1(C)CO[C@@H](CC(=O)O)CN1Cc1nc(C2CC2)cs1 2325788279 WKGNBYOCVJCXIB-NSHDSACASA-N 310.419 2.475 0 50 DEAA Cc1cc(C)n(-c2ccc(CN[C@H]3CCc4n[nH]cc43)cn2)n1 2325794497 DPASNRHJFUBDLV-HNNXBMFYSA-N 308.389 2.384 0 50 DEAA CCn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)c1ccccc1O 900762006 TVMZLBISCTYLCD-UKRRQHHQSA-N 315.373 2.259 0 50 DEAA COc1ccc(N2C(=O)C[C@H](Nc3ccc(O)cc3)C2=O)cc1 96424 ANFNSKHDATVMCX-HNNXBMFYSA-N 312.325 2.145 0 50 DEAA CN(C)CCNC(=S)NC(=O)C12CCC3C[C@@H](C[C@@H](C3)C1)C2 2955864 PMDVQSPYJZUECM-GCGBMVOASA-N 323.506 2.145 0 50 DEAA Cc1ccc(NS(=O)(=O)c2csc(C(N)=O)c2)c(C)c1 6678628 CLLQCSXDZCQWOI-UHFFFAOYSA-N 310.400 2.265 0 50 DEAA CCN(Cc1nc(COC)no1)C(=O)CSc1ccccc1 55341555 GEXDZNGULAKTSH-UHFFFAOYSA-N 321.402 2.357 0 50 DEAA Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cn1 52644119 SYEDFOMPDRDDIR-SNVBAGLBSA-N 318.764 2.065 0 50 DEAA CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 9342144 WXXBPODPDFJWMU-OLZOCXBDSA-N 304.390 2.271 0 50 DEAA CC(C)NC(=O)c1ccc(NC(=O)[C@@H](C)n2cccn2)cc1 55756467 QXKBBHREXJQULH-GFCCVEGCSA-N 300.362 2.221 0 50 DEAA CCN1CCN(C(=O)COc2cc(C)c(Cl)c(C)c2)CC1 20234767 NSWDXIPUECALBK-UHFFFAOYSA-N 310.825 2.500 0 50 DEAA CN(C)Cc1cc(NCc2ccccc2Cn2cccn2)ncn1 63847949 ZSRLIUHEQBRADH-UHFFFAOYSA-N 322.416 2.395 0 50 DEAA NC[C@H]1CCN(Cc2sc(N3CCCC3)nc2Cl)C1 65495826 PXIQSGDGQYTMDE-SNVBAGLBSA-N 300.859 2.177 0 50 DEAA CC[C@@]1(C)COCCN1CC(=O)Nc1cccc(C(C)=O)c1 330535087 VAEPEWLOSYLMQX-KRWDZBQOSA-N 304.390 2.329 0 50 DEAA Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c(C)n1 119155944 YSTAWLAEZXLTSV-UHFFFAOYSA-N 304.371 2.354 0 50 DEAA O=C(CCCn1cccn1)NC[C@@H]1CCN(c2ccccc2)C1 68937089 FBGOPCBZQCDIPV-INIZCTEOSA-N 312.417 2.306 0 50 DEAA CC(C)(C)c1ccc(S(=O)(=O)CCN2CCOCC2)cc1 22170849 YAUHFFBVDLLOJO-UHFFFAOYSA-N 311.447 2.090 0 50 DEAA Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CN2CSCC2=O)C1 121729958 BREPBHIDPOOEHJ-UONOGXRCSA-N 318.442 2.232 0 50 DEAA O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)N1CCOCC1 36098494 DPSYPASKBCEVQC-INIZCTEOSA-N 321.396 2.004 0 50 DEAA COc1ccc(Cl)c(-c2nccn2CCNC(C)=O)c1F 71754734 PIPFSABDMAWPRA-UHFFFAOYSA-N 311.744 2.487 0 50 DEAA CCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 36107934 MOLUHZAMKYWOSR-UHFFFAOYSA-N 323.245 2.320 0 50 DEAA CCOCCn1nc(C)cc1C(=O)N1C[C@H]2CC=CC[C@H]2C1 71712083 YDQGCRKTPUKQAD-GASCZTMLSA-N 303.406 2.266 0 50 DEAA O=C(Nc1ccc(Cl)cn1)N1CCCN(C(=O)C2CC2)CC1 153085944 DIKFRWFOPVAJBK-UHFFFAOYSA-N 322.796 2.211 0 50 DEAA Cc1cc(NC(=O)N2CCN(CCO)CC2)cc(C)c1Cl 331276083 QSJDRJJFDSSNGU-UHFFFAOYSA-N 311.813 2.099 0 50 DEAA C[C@@](O)(CNc1ncnc2[nH]ncc12)c1ccccc1Cl 154310974 UJJSBJALNJWYDY-CQSZACIVSA-N 303.753 2.326 0 50 DEAA CC(C)OC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CCO1 368281353 VNOLGOGMEKIQIR-INIZCTEOSA-N 320.433 2.014 0 50 DEAA CCOc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cc1 331872961 GTYJIFZEWOAAEX-BBWFWOEESA-N 319.401 2.087 0 50 DEAA CCN(C)C(=O)c1ccc(N2CC(N3CCCC[C@@H]3C)C2)nc1 77385556 JWRMXRHKKYPQHD-AWEZNQCLSA-N 316.449 2.237 0 50 DEAA COc1cc(/C=C/C(=O)N2CCC[C@H](C)[C@@H]2CN)cc(OC)c1 156828099 MYJFPQUOCVESBH-PXDWTWLNSA-N 318.417 2.303 0 50 DEAA Cc1nnc([C@@H]2CC23CCN(C(=O)c2ccc(C)n2C)CC3)o1 370871370 YXZFYSQOWQYPHE-ZDUSSCGKSA-N 314.389 2.435 0 50 DEAA COc1cccc(OC)c1C(=O)N1CCO[C@@H](C(F)(F)F)C1 71639018 KXFISXHAVSGPNE-LLVKDONJSA-N 319.279 2.107 0 50 DEAA CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)NC)C1 458952632 YPABBRJYHJFFRO-QLFBSQMISA-N 309.454 2.370 0 50 DEAA COc1cnc2ccccc2c1C(=O)N1CCC[C@](F)(CO)C1 376520832 XLJBIMWLWLJNRS-QGZVFWFLSA-N 318.348 2.180 0 50 DEAA Cc1nc(-c2cccc(NC(=O)[C@@H](CN)c3ccccc3)c2)n[nH]1 237820716 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O=C(O)[C@@H](c1ccc(O)cc1)N1CCN(C2CCCCC2)CC1 95390065 WRXPKGPBUIZMFA-QGZVFWFLSA-N 318.417 2.468 0 50 DEAA NC(=O)CCc1nc(-c2ccco2)nn1-c1cccc2c1CCC2 95381874 HGAXEZURYYQSOP-UHFFFAOYSA-N 322.368 2.434 0 50 DEAA Cc1noc(CN2CCC[C@H](c3ccc(C(=O)O)cc3)C2)n1 95382273 XBLWOSMSUOJSNY-AWEZNQCLSA-N 301.346 2.456 0 50 DEAA COc1cccc([C@@H]2CN(CC3CCOCC3)C[C@H]2C(=O)O)c1 91617075 JMWBCSSLYHLMPC-DLBZAZTESA-N 319.401 2.222 0 50 DEAA CC(C)N1CC[C@H](CN(C)CC(=O)N(C)c2ccccc2)C1 244882683 XWNOBHGVHNSTPU-MRXNPFEDSA-N 303.450 2.312 0 50 DEAA CC(C)[C@@H](NC(=O)c1cc(C(=O)O)co1)c1nc(C2CC2)no1 183784316 UHUBWSGWJWOLEV-LLVKDONJSA-N 319.317 2.365 0 50 DEAA COc1ccccc1C[C@@H](C)N(C)C(=O)NCC1(C)COC1 266718441 JEMUOPBUSNWVJI-CYBMUJFWSA-N 306.406 2.304 0 50 DEAA CSCC[C@H](O)C(=O)NCc1cccc(CN2CCCC2)c1 294212403 CNMGITDLNKFKSK-INIZCTEOSA-N 322.474 2.013 0 50 DEAA CCc1nn(C)c(NC(=O)NCc2cnc(SC)n2C)c1C 299759227 CMQSKIFJKVKQRT-UHFFFAOYSA-N 322.438 2.068 0 50 DEAA COCCN1CC[C@@H](c2nc(C)nn2Cc2ccccc2)C1 824412388 LRUFMFYPBDTDJX-MRXNPFEDSA-N 300.406 2.071 0 50 DEAA Cc1nn(C)cc1CN(C)c1cc(N2CCCCC2)ncn1 823743825 LAMVENFCXRQWHR-UHFFFAOYSA-N 300.410 2.145 0 50 DEAA O=c1c2cc(OC(F)(F)F)ccc2ncn1[C@@H]1CCOC1 584904222 QMTFUPKGXWZPJO-MRVPVSSYSA-N 300.236 2.257 0 50 DEAA OC[C@H]1CCCN(CCNc2ccc(C(F)(F)F)cn2)C1 670436343 HYGGNYZATFUFDK-NSHDSACASA-N 303.328 2.217 0 50 DEAA COC1CCC(CC(=O)NCc2ccc3c(c2)CC(=O)N3)CC1 1875253622 DMQPARFFTKNPEC-UHFFFAOYSA-N 316.401 2.393 0 50 DEAA CC(C)c1cc(N2CCC(C3OCCO3)CC2)nc(N(C)C)n1 1875260675 GKBCBICPDDMMCS-UHFFFAOYSA-N 320.437 2.255 0 50 DEAA COC(=O)/C=C/CCNC(=O)c1cccc([C@H]2CCCOC2)c1 1875314342 SRJYYEYNMWFVMV-NLIHDWIJSA-N 317.385 2.430 0 50 DEAA CN(C)[C@H](C(=O)NCCc1cccn1C)c1ccc(F)cc1 952966794 FNWPJXITEQYSMK-INIZCTEOSA-N 303.381 2.126 0 50 DEAA Cc1cc(=NC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc[nH]1 886079867 KJUSMCUUVGUUKK-PBHICJAKSA-N 300.406 2.352 0 50 DEAA CC[C@@H]1C=CCN1S(=O)(=O)c1c(C)cc(C)c2nonc12 952981561 NRXBDWHTBOGEDU-LLVKDONJSA-N 307.375 2.179 0 50 DEAA CCC(C)(C)N1CCN(C(=O)N[C@H](C)Cn2cc(C)cn2)CC1 888094059 ZWGMYRLTPDNHAH-OAHLLOKOSA-N 321.469 2.096 0 50 DEAA C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1 1774207970 KKWQCQSWUXLBEA-RDBSUJKOSA-N 305.426 2.197 0 50 DEAA Cc1onc(-c2cccs2)c1C(=O)NCCc1cn(C)cn1 1336521513 OYWQQOADSPYMKO-UHFFFAOYSA-N 316.386 2.418 0 50 DEAA Cc1ccc([C@@H](CC(=O)N2CCO[C@@H]3CCC[C@@H]32)C(=O)O)cc1 899829691 YPCPXDTXDVVISI-OWCLPIDISA-N 317.385 2.333 0 50 DEAA CCn1nnc(C)c1Cn1cnc2cccc(Cl)c2c1=O 1190300663 VUKYIAFPCJMIDR-UHFFFAOYSA-N 303.753 2.018 0 50 DEAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2ncccc2C)cn1 275496671 VPTXASZYWUTLGE-XJKSGUPXSA-N 313.357 2.054 0 50 DEAA CNC[C@@H](C)CNC(=O)Cc1ccc(F)c(Br)c1 170048331 IYFVUTQBORVBEO-SECBINFHSA-N 317.202 2.102 0 50 DEAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2c[nH]nn2)C1 171012203 ZQAOFJGWWYEMSS-LLVKDONJSA-N 319.796 2.023 0 50 DEAA O=C(C[C@H]1C=CCCC1)N1CCC(c2ccnn2CCO)CC1 187327394 ZQPRDODGQGAHFE-HNNXBMFYSA-N 317.433 2.328 0 50 DEAA Cc1c[nH]nc1C(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 671871501 YGQFJEYDGKEKTH-LJQANCHMSA-N 324.428 2.456 0 50 DEAA COc1cccc(CC(=O)OCCN(C)c2ccccc2)n1 225622353 BOKGQZBDHCEXJG-UHFFFAOYSA-N 300.358 2.312 0 50 DEAA CCn1ccc(CC(=O)N2CCO[C@](C)(c3ccccc3)C2)n1 585090376 HCJGIOHQZOJAGP-SFHVURJKSA-N 313.401 2.220 0 50 DEAA O=C(Nc1c[nH]nc1-c1ccccn1)c1ccn(C(F)F)n1 678860958 VUVWIKWBADPPKX-UHFFFAOYSA-N 304.260 2.316 0 50 DEAA Cn1nc(-c2ccccc2)cc1C(=O)N[C@H]1CCc2nccn2C1 648888571 XTTHVYBQEZOCIG-AWEZNQCLSA-N 321.384 2.028 0 50 DEAA Cc1ccc(NCC2(N3CCCCC3)CCN(C)CC2)nn1 663669005 UUJRZYJWIRTTGT-UHFFFAOYSA-N 303.454 2.147 0 50 DEAA Cc1nc[nH]c1CN(CCO)C(=O)CCCCc1ccccc1 1704314115 OFDPBVSJRVLCSN-UHFFFAOYSA-N 315.417 2.452 0 50 DEAA O=C(c1ccc(F)cc1)N1C[C@H]2CC[C@@]2(Nc2ncccn2)C1 1615059000 UDCLCRWQALVPGT-CXAGYDPISA-N 312.348 2.332 0 50 DEAA O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCSCC1 12090075 BHCRMSWMTAPVJI-UHFFFAOYSA-N 322.821 2.169 0 50 DEAA CCC(=O)NC(=S)Nc1ccc(C(=O)N2CCCC2)cc1 12138800 MXMBIRSDRHALKL-UHFFFAOYSA-N 305.403 2.146 0 50 DEAA CNCc1cn(CC2CCN(C[C@@H]3CC=CCC3)CC2)nn1 19147719 KTVZLVPFXDZMRQ-OAHLLOKOSA-N 303.454 2.066 0 50 DEAA O=C(c1ccc2[nH]nnc2c1)N1CCO[C@H](c2ccccc2)C1 19791222 AHRWREYRVKOTHQ-INIZCTEOSA-N 308.341 2.172 0 50 DEAA CCC[C@@]1(CO)CN(C(=O)CCCc2ccccc2)CC[C@H]1O 1857712852 JDDCIHKPJWLCSW-MJGOQNOKSA-N 319.445 2.381 0 50 DEAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cc(C3CC3)on2)C[C@H]1N 1857723000 SSNWBKPUEJUUDP-NWANDNLSSA-N 321.421 2.091 0 50 DEAA Cc1c(C(=O)N[C@@H]2COc3ccccc3C2)nc2ccccn12 1857734560 VJIVDAXPUMWFKH-AWEZNQCLSA-N 307.353 2.376 0 50 DEAA CS(=O)(=O)c1ccc(CN2CCOC[C@H]2CC2CCC2)o1 411773050 RZUYGAKEHAEOSI-CYBMUJFWSA-N 313.419 2.074 0 50 DEAA Cc1nc(C)n(C2CN(C(=O)[C@H](C)c3c(F)cccc3F)C2)n1 646097221 FWDNROYGUASXPX-SECBINFHSA-N 320.343 2.360 0 50 DEAA O=C(O)[C@H]1CCCCN1C(=O)Cc1csc(-c2ccoc2)n1 238043830 WPJIXTGQOOMTPO-GFCCVEGCSA-N 320.370 2.411 0 50 DEAA O=C(c1cncc(O)c1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 339939983 ZOMJYADOGCKCKL-SWLSCSKDSA-N 320.295 2.014 0 50 DEAA CCNC(=O)C[C@@H]1CCCCN1C(=O)c1ncccc1Cl 353418517 FCSWAWOMJCDJSM-NSHDSACASA-N 309.797 2.256 0 50 DEAA COc1ccc([C@H](C)C(=O)NCc2ccc(C(=O)O)o2)cc1 262184564 SRHJRBJPESTBGF-JTQLQIEISA-N 303.314 2.406 0 50 DEAA CC1(C)C[C@H](O)CCN(C(=O)c2ccc3nc[nH]c3c2F)C1 585132365 UZBHJLNRWAQEOV-SNVBAGLBSA-N 305.353 2.325 0 50 DEAA Fc1ccc(-c2noc(CSCCc3nn[nH]n3)n2)cc1F 585118149 DPAHXEUYYPASIQ-UHFFFAOYSA-N 324.316 2.004 0 50 DEAA Cc1nn[nH]c1NC(=O)c1cnn(-c2ccccn2)c1C(C)C 585128040 QJLFUEXUHQLUJG-UHFFFAOYSA-N 311.349 2.070 0 50 DEAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1ccc(Cl)cc1 262838746 BXYWIOPUQQMENG-ZDUSSCGKSA-N 311.765 2.197 0 50 DEAA Cc1nonc1CC(=O)Nc1cnn(CC(C)C)c1C(F)F 845899403 JQQWIWSLJZASCD-UHFFFAOYSA-N 313.308 2.349 0 50 DEAA CC1(C)C[C@H](O)CN(C(=O)Cc2cccc(C(F)(F)F)n2)C1 828528572 HHISVOADCNMDKT-NSHDSACASA-N 316.323 2.262 0 50 DEAA CN(C1(CO)CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 296148155 TWDULOJREWJBTB-UHFFFAOYSA-N 310.202 2.139 0 50 DEAA COc1cc(=O)n2c(c1C(=O)NC1CCCCC1)CCCC2 583648829 YHHODEOEOFIZMO-UHFFFAOYSA-N 304.390 2.256 0 50 DEAA Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(C)c1 18093532 BNNSDISGMYLMJN-UHFFFAOYSA-N 317.370 2.274 0 50 DEAA O=C(NC[C@H]1CCOC1)c1ccc(OCc2cscn2)cc1 2325717732 PBQHFJOGNRESNT-GFCCVEGCSA-N 318.398 2.488 0 50 DEAA COc1c(CN[C@H](C2CC2)[C@@H]2COCCO2)ccc2[nH]ccc12 2325784010 UCSLENVNSJFYKB-DLBZAZTESA-N 316.401 2.460 0 50 DEAA COC[C@@H]1CC[C@H](C(=O)Nc2cnccc2-n2cccn2)C1 2325805682 FQBCRRCTRPSFEK-OLZOCXBDSA-N 300.362 2.269 0 50 DEAA COc1ccc2c(c1)CC[C@H]1[C@@H]2OCCN1C/C=C/C(=O)O 2325807012 UIXRYHROZTVJKQ-YTUMRWECSA-N 303.358 2.024 0 50 DEAA CN1CCc2c1nc1ccccc1c2NC(=O)CN1CCCC1 245498 VLEXSUFTPPVMOX-UHFFFAOYSA-N 310.401 2.261 0 50 DEAA Cc1sc(NC(=S)NC(=O)c2ccco2)c(C(N)=O)c1C 2135684 OHSPLKLDTUQFKX-UHFFFAOYSA-N 323.399 2.184 0 50 DEAA Cc1ccc(NC(=O)C[C@H]2SC3=NCCCN3C2=O)c(C)c1 2884938 YCBMVHAEPCYPLC-CYBMUJFWSA-N 317.414 2.336 0 50 DEAA COc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1 2944695 PFAWVXWACRPNMZ-UHFFFAOYSA-N 307.371 2.053 0 50 DEAA O=S(=O)(CCSC1=NCCS1)Oc1ccccc1 4529887 PJNXRNXOMFFKGA-UHFFFAOYSA-N 303.430 2.231 0 50 DEAA Nc1c(C(=O)NC2CCCCC2)nnn1-c1ccc(F)cc1 4984593 HRDZYHROMGAEHC-UHFFFAOYSA-N 303.341 2.051 0 50 DEAA CN(C(=O)c1ccccc1NS(C)(=O)=O)c1ccccc1 10112093 OTSZCGBUCTVFDE-UHFFFAOYSA-N 304.371 2.335 0 50 DEAA Cc1ccc(NC(=O)CC(=O)NCCCc2cccnc2)cc1 55392973 QDUUZAGCILQHKB-UHFFFAOYSA-N 311.385 2.468 0 50 DEAA COc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1 55450639 YBJZDIFPZAGDEX-UHFFFAOYSA-N 300.358 2.246 0 50 DEAA COc1cc(CN2CCN3CCC[C@H]3[C@H]2C)cc(OC)c1OC 22587931 IPTLTOIJTRUJMR-HIFRSBDPSA-N 320.433 2.381 0 50 DEAA CCOC(=O)c1ccc2c(c1)N(C(=O)[C@H]1OCC[C@H]1C)CCO2 252489807 KBDNSZCOUXFEJU-ABAIWWIYSA-N 319.357 2.014 0 50 DEAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)NCc2ccco2)C[C@@H](C)O1 229874180 FGCQWMAEPAMPPX-RBSFLKMASA-N 321.421 2.063 0 50 DEAA CC(=O)c1cccc(O[C@@H](C)C(=O)N2CC(OC(F)F)C2)c1 437575615 HOLIJACLRINIDD-JTQLQIEISA-N 313.300 2.107 0 50 DEAA C[C@H](O)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67696991 TYBZAMKHPRSGGP-VIFPVBQESA-N 308.284 2.149 0 50 DEAA O=C(Cc1ccccc1)N1N=C(C(F)F)C[C@@]1(O)C(F)F 373577 VKICRGSOQURRTE-CYBMUJFWSA-N 304.243 2.036 0 50 DEAA Cc1nc(-c2nccn2CCc2nc(-c3cccnc3)n[nH]2)co1 71765382 SBOCZMIFSVDZDA-UHFFFAOYSA-N 321.344 2.269 0 50 DEAA CCOc1ncccc1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 331053674 ZVKIWPJDKMSHDP-ZDUSSCGKSA-N 318.295 2.010 0 50 DEAA CCc1nnc(O)c(CNC(=O)[C@@H]2CCCO[C@@H]2CC)c1CC 331189705 QDOOPRGOLHOVDB-IUODEOHRSA-N 321.421 2.128 0 50 DEAA C[C@H](C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cccnc1 173641341 AFOTVTVLCRJGKT-HNNXBMFYSA-N 323.396 2.170 0 50 DEAA O=C(NCCc1ccccc1)C1=C(O)CN(c2ccccc2)C1=O 217440276 LKQWADRHITXCHI-UHFFFAOYSA-N 322.364 2.204 0 50 DEAA CC1(C)CN(C(=O)COC[C@@H]2CCOC2)c2ccccc2O1 124654081 YVXXROXAZCMCDF-CYBMUJFWSA-N 305.374 2.244 0 50 DEAA Cc1ccccc1[C@H]1CN(c2nccn3cnnc23)[C@H](C)CO1 239672672 BUQBEXOYHUVWPO-UKRRQHHQSA-N 309.373 2.399 0 50 DEAA Cn1c(COc2ccc3c(c2)CCCC3)nnc1[C@H]1C[C@H](N)C1 219304625 TVTMKBWLSSJRMK-GASCZTMLSA-N 312.417 2.478 0 50 DEAA C[C@H]1CN(Cc2ccc3ccccc3n2)C[C@H]1N1CCOCC1 239762552 CMAXOQKUNZLWQA-HNAYVOBHSA-N 311.429 2.387 0 50 DEAA 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CCCC(=O)N1CCC[C@@H](C(=O)Nc2ncc(C(C)=O)s2)C1 118683569 MTWRZVCOXLVPSY-LLVKDONJSA-N 323.418 2.323 0 50 DEAA CCc1nc(C)c([C@H]2CC(=O)Nc3nn4c(C)cc(C)nc4c32)[nH]1 67642002 SZYXIKZZDZNFSX-NSHDSACASA-N 324.388 2.414 0 50 DEAA CCN1CCO[C@@H](C(=O)N2CCC[C@H]2c2ccccc2C)C1 252668870 FVELOQPSXZMMMD-DLBZAZTESA-N 302.418 2.379 0 50 DEAA Cc1ccc2nc(C)c(C(=O)NC[C@H](C)n3cncn3)cc2c1 63882979 DGVZKOFKWUYYFK-LBPRGKRZSA-N 309.373 2.434 0 50 DEAA CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1C[C@H](C)O[C@H](C)C1 229574966 NFFMNMZMPRGMLO-LZWOXQAQSA-N 324.465 2.343 0 50 DEAA O=C(c1ccn(C(=O)NC2CCCCC2)n1)N1CCCCC1 22171203 VIBZUKUKCLRHPN-UHFFFAOYSA-N 304.394 2.400 0 50 DEAA CCN(C[C@@H]1CN([C@@H]2C=CCCC2)CCO1)c1cccnn1 229913964 FFXRKBDJICVFBR-HZPDHXFCSA-N 302.422 2.112 0 50 DEAA O=C(NCc1nccn1-c1ccccc1)c1cnn2c1CCCC2 253424863 MKDOTYPPMRNBCO-UHFFFAOYSA-N 321.384 2.335 0 50 DEAA CCOC[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H](c3ccccc3)O2)C1 328592775 IAEZFEWZROIRJQ-HFTRVMKXSA-N 319.401 2.376 0 50 DEAA N[C@@H](c1nc(COc2ccc(F)cc2)no1)C1CCOCC1 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2.096 0 50 DEAA Cc1noc(C2CCC(N[C@H]3CCN(CC(F)F)C3)CC2)n1 333952125 ZROYTESNEDPBGT-BPCQOVAHSA-N 314.380 2.333 0 50 DEAA CCn1ccnc1[C@@H](NC(=O)c1cccn1C)C1CCOCC1 286612738 BHTIOVJGYDZOOB-HNNXBMFYSA-N 316.405 2.139 0 50 DEAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2cc3ccccc3o2)C1 284551482 IHGODFNLLHJUKC-NEPJUHHUSA-N 312.329 2.153 0 50 DEAA COc1cc(OC)c(OC)cc1CNCCCn1ccnc1 35268951 YVYKBNKMGCLAML-UHFFFAOYSA-N 305.378 2.089 0 50 DEAA O=C(N[C@H]1CCOc2ccc(F)cc21)[C@@H](O)c1ccccc1 174740341 KLSYHJBEQYUZSH-HOCLYGCPSA-N 301.317 2.499 0 50 DEAA CN(CCc1cn[nH]c1)C(=O)c1ccc(CCC(C)(C)O)cc1 72408861 UDIXEBALSRQAJE-UHFFFAOYSA-N 315.417 2.428 0 50 DEAA CC(C)c1cc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)n(C)n1 71780029 LTKYGOFNQIWTCC-UHFFFAOYSA-N 324.388 2.259 0 50 DEAA Cn1cc(CCCNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cn1 245387467 XRRMWBRXVOJNRZ-UHDSXZAQSA-N 316.449 2.477 0 50 DEAA Cc1ncsc1CCC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 223135427 CJNLSNGZELHJFF-KGLIPLIRSA-N 324.446 2.084 0 50 DEAA NC(=O)c1c[nH]c(C(=O)NCC2(c3cccc(Cl)c3)CC2)c1 176833626 NIUHFBKLIATHCX-UHFFFAOYSA-N 317.776 2.229 0 50 DEAA OCC1(CN2CCCC2)CCN(Cc2cnccc2Cl)CC1 222525872 IBLPASUXGBJGFN-UHFFFAOYSA-N 323.868 2.405 0 50 DEAA Cc1cc(C(=O)N2CCN3CC[C@H]2C3)c(C)n1-c1nccs1 615563426 BQCGETDGPPAHQI-ZDUSSCGKSA-N 316.430 2.081 0 50 DEAA CC[C@H](NC(=O)C1(c2ccc(OC)cc2)CC1)C1CC(O)C1 223895943 INLAQNAPFJOZPT-PXCJXSSVSA-N 303.402 2.393 0 50 DEAA Cc1cc(C)c(C(=O)CN2CCN(c3ncccn3)CC2)c(C)c1 220964517 IUAJIQVNIKYMEO-UHFFFAOYSA-N 324.428 2.407 0 50 DEAA Cc1ncsc1CN(C)C(=O)[C@H]1CCCN1CC(F)(F)F 291774487 WBOOJFIPBUEECO-SNVBAGLBSA-N 321.368 2.437 0 50 DEAA O=C(c1ccncc1C(F)(F)F)N1CC[C@@H](n2cccn2)C1 291062949 AJZLLAAZNDVCIN-SNVBAGLBSA-N 310.279 2.384 0 50 DEAA CN(C)S(=O)(=O)c1ccc(-c2ccc3c(n2)CCC3)cc1 426374216 NGXICQVSNXJZEQ-UHFFFAOYSA-N 302.399 2.488 0 50 DEAA C[C@@H]1c2cc(F)ccc2CCN1C(=O)NCCc1cnc[nH]1 426428959 MUODCBXKMLZUFW-LLVKDONJSA-N 302.353 2.420 0 50 DEAA O=C(C1CCC1)N1CCC(c2nc([C@H]3CCOC3)no2)CC1 96141579 AGLJBGQHEKMUCP-ZDUSSCGKSA-N 305.378 2.080 0 50 DEAA O=C1OCCN1CC(=O)N(Cc1ccccc1Cl)C1CC1 95519918 YATVVJOQONLLQJ-UHFFFAOYSA-N 308.765 2.283 0 50 DEAA c1cc(Cn2cccn2)cc(-c2cn(CCc3c[nH]cn3)nn2)c1 91943725 WEHNMOSODYXUOT-UHFFFAOYSA-N 319.372 2.156 0 50 DEAA Cc1ccc(NCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239309182 HGGBDSRGLYPJOH-OVYBAWALSA-N 308.381 2.418 0 50 DEAA Cc1ccsc1CN(C)C(=O)c1ccc(-n2cnnc2)nc1 97797604 SYPLVMCJMXCWEK-UHFFFAOYSA-N 313.386 2.304 0 50 DEAA O=C1CCCc2c(OC[C@@H](O)CN3CCCCC3)cccc21 95918191 OKAQKLVJCXCSOA-AWEZNQCLSA-N 303.402 2.431 0 50 DEAA CC(=O)Nc1cccc(NC(=O)CCN(C)Cc2ccon2)c1 244795975 RQRHEXZCDQJHDH-UHFFFAOYSA-N 316.361 2.094 0 50 DEAA Cc1ccn2cc(CN3CCc4nc(C)nc(O)c4CC3)nc2c1 253536511 UHHUMIVLEWSJAT-UHFFFAOYSA-N 323.400 2.048 0 50 DEAA CC(C)c1cc(CNC(=O)c2ccccc2-n2cnnc2)no1 534581486 WKMCVEAELLJKNB-UHFFFAOYSA-N 311.345 2.309 0 50 DEAA CCOc1ccccc1CCCNC(=O)N1CC[C@@H](N(C)C)C1 534631016 FCFRDZJSPXLARH-MRXNPFEDSA-N 319.449 2.363 0 50 DEAA C[C@@H](CNC(=O)N1CCOc2ccccc2C1)N1CCCCC1 584901877 AGJKDEQRNSEUCI-HNNXBMFYSA-N 317.433 2.465 0 50 DEAA Cc1ncn(CCNC(=O)[C@H]2Cc3cc(Cl)ccc3N2)c1C 670472906 YTHHLPOYAUPNKW-OAHLLOKOSA-N 318.808 2.306 0 50 DEAA c1cc2c(cc1-c1noc([C@H]3CN4CCC[C@H]4CO3)n1)CCO2 874434918 HLKLAQBFVXTLNU-DZGCQCFKSA-N 313.357 2.207 0 50 DEAA Cc1cccc2nc(N3CC(O)(c4ccnn4C)C3)sc12 952994557 XCSQEEDMGQPXHU-UHFFFAOYSA-N 300.387 2.046 0 50 DEAA CCc1ccc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)cc1C 952992230 BPLRYERDBQCMNA-UHFFFAOYSA-N 307.415 2.321 0 50 DEAA O=C(CN1CC[C@H](c2cnccn2)C1)Nc1ccc(F)cc1F 952992442 DUAGXYCLUMIYMF-NSHDSACASA-N 318.327 2.183 0 50 DEAA Cc1oc(-c2ccccc2F)nc1C(=O)Nc1c[nH]nc1O 1457818467 BKRQCZGPTRLNNQ-UHFFFAOYSA-N 302.265 2.470 0 50 DEAA O=C(c1cc(F)n[nH]1)N1CCC[C@@H](CN2CCCCCC2)C1 1875293098 CDWXNCJBBDPCHT-ZDUSSCGKSA-N 308.401 2.277 0 50 DEAA CC(C)C[C@@](C)(NC(=O)[C@H]1CCOc2c(F)cccc21)C(N)=O 1875270265 JEBTVJUANUZJGV-YVEFUNNKSA-N 322.380 2.098 0 50 DEAA CC(C)c1ccc([C@H](CO)NCc2ncnn2CC(F)F)cc1 1875281457 BMUCNTOYOLPLIJ-AWEZNQCLSA-N 324.375 2.490 0 50 DEAA NCc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc2n[nH]cc2c1 1875358688 FVZNUULHGPAIIX-QGZVFWFLSA-N 306.369 2.439 0 50 DEAA O=C(OCc1cc(=O)c(O)co1)c1ncc(F)c2ccccc12 1875359718 NSUYNVLUXJEOSX-UHFFFAOYSA-N 315.256 2.390 0 50 DEAA O=C(O)C12CC(C(=O)N3CCC[C@@H]3c3ccc(O)cc3)(C1)C2 1875394183 XPACZCGZWXGRLL-NVPAJSRCSA-N 301.342 2.311 0 50 DEAA O=C(Cc1cc(C2CC2)no1)Nc1cc(C(F)(F)F)[nH]n1 1775994608 DRLALLXRIAUGTJ-UHFFFAOYSA-N 300.240 2.475 0 50 DEAA O[C@H](CCc1ccccc1)CNCc1cccnc1-n1cccn1 1336702169 BSYRESBEEQAOOF-GOSISDBHSA-N 322.412 2.351 0 50 DEAA CCC[C@H]1CN(C(=O)c2ccc(COC)s2)C[C@@H]1C(=O)O 1565505876 HHCRBZBNCZAYAK-JQWIXIFHSA-N 311.403 2.467 0 50 DEAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)O 169967222 UEGHYVKMVFFPPY-BKDNQFJXSA-N 301.264 2.398 0 50 DEAA CC(C)[C@H](CN[C@H](C)[C@@H]1CCOC1)ONC(=O)OC(C)(C)C 398695736 DOISBRIUEYEGJC-MCIONIFRSA-N 316.442 2.482 0 50 DEAA C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(Cc1cncc(F)c1)C2=O 281267248 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DEAA COc1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)on1 190218931 NKRGVSFINNUSFX-WFASDCNBSA-N 302.330 2.191 0 50 DEAA CC[C@@H](C(=O)O)N1CCCN(C(=O)c2cccc(C)c2)CC1 191403199 BCNZNCPDDCTKCY-HNNXBMFYSA-N 304.390 2.006 0 50 DEAA CCc1noc(CC)c1CNC(=O)[C@@H](C(=O)O)C1CCCC1 663116959 TXQXEAMKUKTUGW-AWEZNQCLSA-N 308.378 2.307 0 50 DEAA CCn1nc(CC(C)C)cc1C(=O)N1CCC(C2(O)CC2)CC1 1772815684 XZHGPPZFVJJERH-UHFFFAOYSA-N 319.449 2.479 0 50 DEAA CC(C)C(=O)N[C@@H](C)c1nnc2n1CCN(CC(C)(C)C)CC2 12191102 PQUHJAAZZBQNBC-ZDUSSCGKSA-N 321.469 2.016 0 50 DEAA CN1CCN(C)[C@@H](Cn2ccnc2-c2cccc3ncccc23)C1 1857690547 MZMKXKVANKCGJD-OAHLLOKOSA-N 321.428 2.344 0 50 DEAA CCC[C@]1(CO)CCN(c2nnc(C)c3ccccc23)C[C@@H]1O 1875242270 QGDQOXIPGQVPFY-FUHWJXTLSA-N 315.417 2.288 0 50 DEAA COC(=O)c1cccc(NC(=O)CNC(=O)C2CCCCC2)c1 2995441 SHSRUEBQWRBFHV-UHFFFAOYSA-N 318.373 2.108 0 50 DEAA O=C(CN1CCO[C@H]2CCC[C@H]21)NCCCOC1CCCCC1 230082158 BSZHVOSSHOFTOC-SJORKVTESA-N 324.465 2.095 0 50 DEAA CC(C)c1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C3CC3)CCO2)o1 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0 50 DEAA Cc1ccc(C)c([C@H](C)NC(=O)CN(C)Cc2cc[nH]n2)c1 243893779 AUFDCILRUYJJRE-AWEZNQCLSA-N 300.406 2.336 0 50 DEAA Cc1cc(C(=O)N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)cc(O)n1 253535108 HVBAKTLOUNPIBX-IFUGULHKSA-N 318.398 2.399 0 50 DEAA Cc1ccc2nc(CNC(=O)N(C)C[C@H]3CCCO3)[nH]c2c1 342143013 YPDXNJFLJQXEIV-GFCCVEGCSA-N 302.378 2.192 0 50 DEAA COCC1(CNC(=O)CCC(=O)NC2CCCC2)CCCC1 456857502 MBFCCQNHKJOLKC-UHFFFAOYSA-N 310.438 2.148 0 50 DEAA O=C(NCc1noc(-c2c(F)cccc2F)n1)[C@@H]1CCCCO1 299774481 JBKMURXXEWAMIL-NSHDSACASA-N 323.299 2.200 0 50 DEAA COC(=O)c1ccc2nc(CNC(=O)OC3CCC3)[nH]c2c1 585134615 CCQCCTGCZYFQEA-UHFFFAOYSA-N 303.318 2.128 0 50 DEAA Fc1cccc(OC[C@@H]2CCCN(CCn3cnnc3)C2)c1 670462269 HUVVZJDHMAJZKR-CQSZACIVSA-N 304.369 2.208 0 50 DEAA Nc1nc(CCCNC(=O)c2ccc3c(c2)CCCO3)cs1 670467438 GNEMLGKPZIKQGS-UHFFFAOYSA-N 317.414 2.413 0 50 DEAA CN(C)C/C=C/C(=O)NCc1ccc(-n2ccc(C3CC3)n2)cc1 1875376052 XDYFJGVNVYYYCQ-ONEGZZNKSA-N 324.428 2.484 0 50 DEAA Cc1ccc(-n2cccc2)c(C(=O)N2CC[C@](F)(CO)C2)c1 952845145 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NC(=O)c1ccncc1N[C@H]1CCCN(c2ccccc2F)C1 1875259579 BGRFBBNGVSTAKA-LBPRGKRZSA-N 314.364 2.401 0 50 DEAA CCC1=NO[C@H](CN=c2[nH]c(-c3cccnc3)nc3c2CCC3)C1 1875299651 QXBAMFHQJOWAGG-AWEZNQCLSA-N 323.400 2.416 0 50 DEAA N[C@@H]1CC[C@@H](CCNC(=O)c2cc(-c3cc[nH]n3)ccc2F)C1 1875292891 VVJQTIZDCPMSDQ-WCQYABFASA-N 316.380 2.463 0 50 DEAA CN(C)C/C=C/C(=O)N1CCC[C@@]2(CCc3ccccc3O2)C1 1875378826 FNDCWSIKEXFXAK-NTPDMAOXSA-N 314.429 2.491 0 50 DEAA COC(=O)/C=C/CCNC(=O)c1cnn(C2CCCCC2)c1 1875314034 DRTLSVJXYLVLJH-WEVVVXLNSA-N 305.378 2.237 0 50 DEAA O=C(Cc1cc(C2CC2)no1)N[C@H]1c2ccccc2CC[C@H]1O 886713418 BOSOOKXBMLICGT-AEFFLSMTSA-N 312.369 2.259 0 50 DEAA Cc1ccccc1-c1nsc(N2CC[C@@](O)(CN(C)C)C2)n1 895010658 UPYSRUQPCKXNCL-MRXNPFEDSA-N 318.446 2.016 0 50 DEAA Cn1cc([C@H]2CCCN(c3cccc(F)c3C(N)=O)C2)cn1 892215163 SLFXQYREGPYTQB-NSHDSACASA-N 302.353 2.042 0 50 DEAA CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1CCn2nccc2C1 1775999393 LEQGMDIINQEAQC-WFASDCNBSA-N 317.364 2.311 0 50 DEAA Clc1cnc(N2C[C@@H]3COC[C@]3(CN3CCCCC3)C2)nc1 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2.352 0 50 DEAA CO[C@@H]1C[C@@H](NS(=O)(=O)c2sccc2C)C12CCC2 668268865 MVSMSEQMOQJBHL-GHMZBOCLSA-N 301.433 2.292 0 50 DEAA Cc1noc(C)c1CNC[C@@H]1OCCN(C)[C@H]1c1ccccc1 583616624 UGGWCFVDYRLTLL-ROUUACIJSA-N 315.417 2.453 0 50 DEAA CNC(=O)Cn1cc(N[C@H](C)CC[C@@H]2CC2(Cl)Cl)cn1 585117748 VRCCJHRVXBLXDK-NXEZZACHSA-N 319.236 2.404 0 50 DEAA Cc1ccn2ncnc2c1NC(=O)CSC[C@H]1CCCCO1 585124753 QOUJWEJBFQAOCV-GFCCVEGCSA-N 320.418 2.279 0 50 DEAA CCc1c(C)nn(C)c1NC(=O)[C@@H]1COc2ccccc2O1 1529191205 UUIJHTUVQPTPIC-AWEZNQCLSA-N 301.346 2.069 0 50 DEAA COCCCCN(C)C(=O)c1sncc1Br 1614658446 PYNIYDSWIJVELF-UHFFFAOYSA-N 307.213 2.404 0 50 DEAA CC1(C)Cc2ccsc2CN1C(=O)c1cc(C(N)=O)co1 1615002600 JNAQJLBYNHCKCI-UHFFFAOYSA-N 304.371 2.417 0 50 DEAA CCNc1ncnc2cc(C(=O)NCc3ncoc3C)ccc12 1615557593 UKGPGICSTQAVLC-UHFFFAOYSA-N 311.345 2.288 0 50 DEAA O=C(c1ccc(Cl)s1)N1CCCN([C@H]2CCOC2)CC1 1565521915 HBKCVNZDACVCGU-NSHDSACASA-N 314.838 2.338 0 50 DEAA CCN(CC)C(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 13571089 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321.373 2.119 0 50 DEAA Cc1cc(C)c(NC(=O)N2CCC(n3cnnc3)CC2)c(C)n1 102537258 GHMZFOZENFIWBD-UHFFFAOYSA-N 314.393 2.467 0 50 DEAA CC(C)(C)C[C@H](CC(=O)O)NS(=O)(=O)c1cccc(F)c1 134698788 WJFMIRSLAXXZKZ-NSHDSACASA-N 317.382 2.384 0 50 DEAA COc1ncccc1C(=O)N1CC[C@@H](CN2CCCCC2)C1 172706786 KTNIQQVJUFFDFX-AWEZNQCLSA-N 303.406 2.038 0 50 DEAA C[C@H]1[C@@H](C)OCCN1Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 139140600 VLEJBRDPIGTZCA-VHSXEESVSA-N 319.430 2.083 0 50 DEAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@H](n2ccnc2)C1 253384120 NSRGTOFMLBZERI-HRCADAONSA-N 321.421 2.021 0 50 DEAA CN(C[C@H]1CCn2ccnc2C1)C(=O)c1n[nH]c2ccccc12 328620291 GWHPGFBHKKUZDC-LBPRGKRZSA-N 309.373 2.094 0 50 DEAA CC[C@H](NC(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccncc1 173499918 AAMXHWRBJBOEMO-HOCLYGCPSA-N 313.405 2.465 0 50 DEAA Cc1cc(NC(=O)[C@H](C)Cn2cc(Br)cn2)no1 2790784 XWLHYVGJARCFKD-SSDOTTSWSA-N 313.155 2.217 0 50 DEAA Cc1ccc(N2CCC[C@H](N(C)C(=O)c3ccoc3C)C2)nn1 370917492 NLBANDJJYICKRH-AWEZNQCLSA-N 314.389 2.427 0 50 DEAA NC(=O)CC[C@H]1CCCN(C(=O)C2CCC(F)(F)CC2)C1 127039041 ZVZVFEUEPSMZSK-LLVKDONJSA-N 302.365 2.316 0 50 DEAA Cc1nn(C)c2ncnc(N3CCC(O)(c4ccccc4)CC3)c12 72424021 NZNWUMPIZUPWRE-UHFFFAOYSA-N 323.400 2.160 0 50 DEAA C[C@H]1C[C@@H](N)CCN1C(=O)Cc1ccc(OC(F)(F)F)cc1 237498468 CHDBJEAYFOLWHM-JQWIXIFHSA-N 316.323 2.466 0 50 DEAA O[C@]1(C2CC2)CCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1 373271139 PEFUFXOVSPONPL-GOSISDBHSA-N 315.392 2.417 0 50 DEAA C[C@H]1CCCCN1Cc1ccccc1CNC(=O)C1(N)CC1 237519252 SUTBCZXHPSRULT-AWEZNQCLSA-N 301.434 2.169 0 50 DEAA CC(C)CN1CCO[C@@H](CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1 246155744 PTOPLXPIDFKVHK-NXOAAHMSSA-N 308.466 2.286 0 50 DEAA Cc1c(C(=O)N2CCO[C@H](C(=O)O)C2)oc2ccc(Cl)cc12 237761105 NUQJUISHMRHOLP-LBPRGKRZSA-N 323.732 2.320 0 50 DEAA CCc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 375801320 JDQBMEZCZRSVMC-CYBMUJFWSA-N 313.405 2.074 0 50 DEAA CC(C)n1ccc(C(=O)NC[C@@H](C(=O)O)c2ccc(F)cc2)n1 262892951 LOGWLZQQELWFAA-CYBMUJFWSA-N 319.336 2.201 0 50 DEAA COc1cccc(NC(=S)N2CCC3(CC2)OCCO3)c1 13784697 FOYUJERBRZFCIU-UHFFFAOYSA-N 308.403 2.231 0 50 DEAA Cc1nc2cc(CNC(=O)CN(C)C3CCCC3)ccc2n1C 219909921 YFAJIDOSYDFDGF-UHFFFAOYSA-N 314.433 2.372 0 50 DEAA C[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1cccc(C(=O)O)c1 239359536 AEOULEMWISPJTA-UHIISALHSA-N 311.403 2.488 0 50 DEAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1ccc2cc[nH]c2c1 219627003 YZAYKICOQWRHQG-IRXDYDNUSA-N 313.401 2.151 0 50 DEAA C[C@H](O)CN1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1 285944298 VTZKFUMVKACQGJ-JTQLQIEISA-N 315.776 2.009 0 50 DEAA NC(=O)[C@H](c1ccccc1)N1CC[C@@H](CNc2ccccn2)C1 222198579 KTWRCNKIJSTWAS-YOEHRIQHSA-N 310.401 2.042 0 50 DEAA Cc1ccn2c(F)c(C(=O)NCCn3cnc(C)c3C)nc2c1 426407517 JLXWJUZMMXJURY-UHFFFAOYSA-N 315.352 2.025 0 50 DEAA Cc1nc(C(F)(F)F)ncc1CN1CCC2(CCNCC2)C1 426541740 XBJWDJKFOSWYOV-UHFFFAOYSA-N 314.355 2.379 0 50 DEAA Cc1cc(F)ccc1N1CCC(N2C[C@@H]3CCN[C@@H]3C2)CC1 426503409 DLUTUYIZTUPWAH-WMLDXEAASA-N 303.425 2.397 0 50 DEAA COc1cccc([C@H]2C[C@H]2C(=O)N2CCC(C(=O)O)CC2)c1 237329866 FHCVQKTZKMNPLK-HUUCEWRRSA-N 303.358 2.122 0 50 DEAA O=C(CCCN1CCCCC1)NCc1ccc2nonc2c1 95361395 PTEWFXYRYQVKMH-UHFFFAOYSA-N 302.378 2.105 0 50 DEAA CNc1nc(C)c(C(=O)NC[C@@H]2COc3ccccc3C2)s1 91746882 GFNBSFAFOLIFNS-LLVKDONJSA-N 317.414 2.474 0 50 DEAA CCc1nc2ccccc2n1CCC(=O)N[C@H]1CC[C@H](O)CC1 252488575 IUWSCINWBRALGT-HDJSIYSDSA-N 315.417 2.409 0 50 DEAA O=C(O)CC[C@H]1CCCN(C(=O)[C@H]2COc3ccccc32)C1 299743009 LLYRCMPWPUKTBP-OCCSQVGLSA-N 303.358 2.266 0 50 DEAA Cc1conc1NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 299740580 AFWHCJQNYYWMFM-QWHCGFSZSA-N 302.334 2.420 0 50 DEAA CCc1c(C(=O)N2CCC[C@H]([C@H](C)N)C2)cnn1C(C)(C)C 299738693 FHTLDAYPUHKIGZ-STQMWFEESA-N 306.454 2.400 0 50 DEAA C[C@H](CCC(=O)NCc1cccc(CO)c1)N1CCCCC1 534587887 IEMDTVXFYAOZDC-OAHLLOKOSA-N 304.434 2.450 0 50 DEAA Cc1nc[nH]c1C(=O)N1CCC[C@@H](c2nc(C(C)C)no2)C1 584893991 WBXFRDHNWMGAJL-LLVKDONJSA-N 303.366 2.244 0 50 DEAA O=C(c1ccccc1F)N1CCC(Nc2ncc(F)cn2)CC1 269515810 UMBPOOJWCJGGHF-UHFFFAOYSA-N 318.327 2.472 0 50 DEAA CCOc1ccc(CN2CC[C@@H](CC(=O)NC)C2)cc1OC 670439944 OZDRJUXAUCXSKB-AWEZNQCLSA-N 306.406 2.052 0 50 DEAA COCCNCCOCCOc1ccccc1Br 2981013 QVINQCJWQUHTNQ-UHFFFAOYSA-N 318.211 2.081 0 50 DEAA CS(=O)(=O)CCn1cc(-c2cccc(C3CCC3)c2)nn1 1875281892 CZEPCVYMKFJYIJ-UHFFFAOYSA-N 305.403 2.257 0 50 DEAA CC(C)c1ccc([C@H](CO)N[C@H]2CCN(C(C)C)C2=O)cc1 1875281640 MOPCLCQMLMAADH-IRXDYDNUSA-N 304.434 2.442 0 50 DEAA Cc1cccc(S(=O)(=O)NC(=O)NCc2ccccc2)c1 1875324694 JBLBFTXQAVDJPM-UHFFFAOYSA-N 304.371 2.183 0 50 DEAA CC1(C)CC(CC(=O)NCCN2CCCCC2=O)CC(C)(C)N1 952965414 DGGQHTOOZGTUHB-UHFFFAOYSA-N 323.481 2.062 0 50 DEAA Cc1ccccc1-c1noc([C@H](C)NC(=O)c2nccn2C)n1 952975096 YARFNCCMJWPJAX-NSHDSACASA-N 311.345 2.270 0 50 DEAA CC1(C)CCCC[C@@H]1NC(=O)Cc1nc(C2CCOCC2)n[nH]1 1774694095 KOBIVFNJXJWONX-ZDUSSCGKSA-N 320.437 2.326 0 50 DEAA COCC1(S(=O)(=O)N[C@H]2CCc3cc(F)ccc32)CCC1 1363748168 FDSVGXIKNZDLAQ-AWEZNQCLSA-N 313.394 2.302 0 50 DEAA C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]c1=O)[C@@H]1CCCOC1 1362336717 DYIROUOMGLOTGY-GHMZBOCLSA-N 318.348 2.212 0 50 DEAA Cc1ccc(C(=O)N2CC[C@@H](N(C)Cc3ncccn3)C2)cc1 275873108 GMZSIFGHPSGZEN-MRXNPFEDSA-N 310.401 2.132 0 50 DEAA Cc1ocnc1CNc1nc(O)c2cnn(-c3ccccc3)c2n1 301857828 JJCKISLXKDAEMX-UHFFFAOYSA-N 322.328 2.430 0 50 DEAA C[C@H]1CN(C(=O)c2ccc(NCc3cc[nH]n3)cc2)C[C@@H](C)O1 278555960 AJEPUYWMYAGMLZ-BETUJISGSA-N 314.389 2.271 0 50 DEAA c1ccc(N2CCCN(c3cc(N4CCCC4)ncn3)CC2)nc1 302850603 PPSPFAWQVFUMMW-UHFFFAOYSA-N 324.432 2.189 0 50 DEAA Cn1cc(CCNC(=O)C2(O)CCC2)c2ccc(Cl)cc21 187184954 DLUNCAPBYIQILW-UHFFFAOYSA-N 306.793 2.405 0 50 DEAA O=C1NCC[C@@]12CCCN2Cc1ccc(OC(F)(F)F)cc1 408524282 RYISSDGZOYVPRH-AWEZNQCLSA-N 314.307 2.440 0 50 DEAA CC(C)(C(=O)N[C@H]1CCCCNC1=O)c1ccccc1Cl 171448440 VOYSOPVKPZQSCG-ZDUSSCGKSA-N 308.809 2.403 0 50 DEAA CCc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)O)n(C)n1 634803461 WYVAEZVWWWPVDS-ABAIWWIYSA-N 315.373 2.174 0 50 DEAA Cc1cc(C(F)(F)F)ccc1CNC(=O)Nc1ncnn1C 188129436 LBUBIXAWXKWVMP-UHFFFAOYSA-N 313.283 2.464 0 50 DEAA O=C(CC[C@@H]1CCCO1)N1CCCN(c2ccncc2)CC1 640449249 FJBJIMGOBDNHKV-INIZCTEOSA-N 303.406 2.080 0 50 DEAA CC(C)CN1C[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)CC1=O 642107511 QSSUPUOIPOCURU-PKSOCPPESA-N 318.461 2.432 0 50 DEAA C[C@@H]1C(=O)N(C)CN1C(=O)N1CCC(Cc2ccccc2)CC1 645863653 AFLGVADRJPCXDD-CQSZACIVSA-N 315.417 2.181 0 50 DEAA Cc1ccc(N2CC[C@@H](Nc3ncnc4onc(C)c34)C2=O)cc1 192465176 WTIVZGUZDSXRTR-CYBMUJFWSA-N 323.356 2.452 0 50 DEAA CCCNC(=O)Cn1cc(-c2ccccc2)c(N(C)C)cc1=O 585123104 VKAPYKZDJMEOOD-UHFFFAOYSA-N 313.401 2.108 0 50 DEAA CNC(=O)C1(c2nc(-c3ccc(F)c(OC)c3)no2)CCC1 680682077 KDRYTOVNGNOJIM-UHFFFAOYSA-N 305.309 2.052 0 50 DEAA O=C(O)c1cccc(CNCc2ccc3nsnc3c2)n1 1506404664 ZYCMBOPMEJBQJU-UHFFFAOYSA-N 300.343 2.074 0 50 DEAA CN(C)c1ncc2c(n1)[C@]1(CCCN(Cc3cccnc3)C1)CC2 1704316630 XVNYSEJMQQWQPV-LJQANCHMSA-N 323.444 2.418 0 50 DEAA O=C(O)[C@H]1CCN(Cc2c(Cl)cccc2Cl)C[C@H]1O 1704358253 HVDVDDHHQWYQRR-QPUJVOFHSA-N 304.173 2.261 0 50 DEAA COc1cc2c(cc1CN(CCO)Cc1[nH]cnc1C)CCC2 1704311517 MXYBMWODYXBORR-UHFFFAOYSA-N 315.417 2.210 0 50 DEAA Cc1cc(C(=O)N[C@@H](C(=O)O)C2CCOCC2)c(C)n1C1CC1 1615557110 ZUGMRORBKIKMNT-OAHLLOKOSA-N 320.389 2.049 0 50 DEAA Cn1nccc1C(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1 12022275 TVSMOFBWIFBATN-AWEZNQCLSA-N 302.353 2.276 0 50 DEAA O[C@@H](COc1ccccc1CN1CCCO1)CN1CCCCC1 12058595 VNKKOQDSGGTUBN-QGZVFWFLSA-N 320.433 2.050 0 50 DEAA COC(=O)Cc1ccc(NC(=S)NCc2ccco2)cc1 13497374 CERNFMLGWSRYNT-UHFFFAOYSA-N 304.371 2.482 0 50 DEAA O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)Nc1cccc(F)c1 13685794 JBPVQLQBIXFWDP-AWEZNQCLSA-N 324.315 2.351 0 50 DEAA CN1CC[C@H](Nc2ccnc(-c3cccc(Cl)c3)n2)C1=O 1646174767 LKTPREYLPXYRSC-LBPRGKRZSA-N 302.765 2.440 0 50 DEAA O=C(NCCCN1CCOCC1)c1ccc(Cl)c(Cl)c1 19849725 YEMRQJBCPLULKE-UHFFFAOYSA-N 317.216 2.446 0 50 DEAA CS(=O)(=O)c1ccc(-c2nccn2[C@@H]2CCC[C@@H](N)C2)cc1 1857696838 FHXDKAFESFRVRY-ZIAGYGMSSA-N 319.430 2.396 0 50 DEAA CO[C@H]1COC[C@H]1n1ccnc1-c1cc2c(cc1C)OCO2 1857732539 VNIOVKXSLPTQHA-DOMZBBRYSA-N 302.330 2.174 0 50 DEAA Cc1ccc(C(C)(C)CC(=O)N[C@H](CO)c2ccnn2C)cc1 458170087 TYFMAVDKCIIGAH-OAHLLOKOSA-N 315.417 2.246 0 50 DEAA O=C(NC[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN1Cc1ccccc1 304321421 IWDIWOTZZHYWPD-SQNIBIBYSA-N 316.445 2.318 0 50 DEAA CC(C)C[C@H](CN)CC(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C 408525626 KVAILGLXZSRSRS-KFWWJZLASA-N 312.454 2.330 0 50 DEAA Cc1n[nH]c(C2CC2)c1C(=O)N1C[C@H](C(=O)O)[C@@H](C(C)C)C1 248031675 PSUURRNSWNDBMK-NEPJUHHUSA-N 305.378 2.024 0 50 DEAA C[C@H]1OCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C 253371009 ZLHMPQHECKCFLB-JHNDHUHGSA-N 302.418 2.048 0 50 DEAA COC(=O)C[C@@H]1CCCN1C(=O)c1sc2ncccc2c1N 585129663 QSXOFUPKDQFGQB-VIFPVBQESA-N 319.386 2.046 0 50 DEAA CN(C)c1ccccc1CN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 265910558 XMSYNOVPUSICNY-HUUCEWRRSA-N 310.463 2.198 0 50 DEAA Cn1ccnc1-c1cccc(NC(=O)NC[C@@H]2CCC[C@@H]2O)c1 266459040 SFZBSOAOQADONG-ZFWWWQNUSA-N 314.389 2.370 0 50 DEAA O=C(C[C@@H]1CCCN1)Nc1ccc(C(=O)Nc2cccnc2)cc1 164554230 WZVSWFSTNHSHOG-HNNXBMFYSA-N 324.384 2.415 0 50 DEAA COc1ccc(Cl)c2c1CCC[C@@H]2NCCN1CCNC1=O 903221309 QGWLBRGHBDKDQI-ZDUSSCGKSA-N 323.824 2.341 0 50 DEAA CCc1csc([C@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)n1 823542870 LNORCZDWNHFVCF-ZJUUUORDSA-N 311.451 2.434 0 50 DEAA COc1ccc(C(F)(F)C(=O)N[C@H](C)c2ccn(C)n2)cc1 838247075 SOVGZLGHUHAPDG-SNVBAGLBSA-N 309.316 2.398 0 50 DEAA OC[C@H]1CCN(Cc2cc(F)ccc2C(F)(F)F)C[C@@H]1O 1138087998 OQLVSXWTZASSSV-RNCFNFMXSA-N 307.287 2.020 0 50 DEAA O=C(O)CN(C1CCC1)S(=O)(=O)c1ccc(F)cc1Cl 653496320 NIEZOMCHXBIGTK-UHFFFAOYSA-N 321.757 2.107 0 50 DEAA CC[C@@H](C(=O)N1CC2(COc3ccccc3C2)C1)n1cccn1 2100482183 CXPLMSOJQOMGNB-HNNXBMFYSA-N 311.385 2.298 0 50 DEAA O=C(O)[C@@H]1c2cc(Br)ccc2CCN1C(=O)C1CC1 2325788560 OUHUHAGMFMJFJH-LBPRGKRZSA-N 324.174 2.370 0 50 DEAA CCOC(=O)N1CCN(C(=O)[C@H](CC)Oc2ccccc2)CC1 471859 XYOSFWFMCGHPOW-HNNXBMFYSA-N 320.389 2.145 0 50 DEAA CCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1 2877613 DCVYRVWHNBMYRH-UHFFFAOYSA-N 318.398 2.336 0 50 DEAA COc1cc(CNC(C)C)ccc1OCC(=O)NC(C)(C)C 10436041 PPWRZNFXGFXVBL-UHFFFAOYSA-N 308.422 2.487 0 50 DEAA COCCN(Cc1cnn(C)c1)c1nc(C)nc2sccc12 55393384 IDALCNVDBNMOLI-UHFFFAOYSA-N 317.418 2.386 0 50 DEAA O=C(NCCCn1ccnc1)Nc1ccnn1C1CCCC1 64429873 WNACXHLOAVOCOW-UHFFFAOYSA-N 302.382 2.407 0 50 DEAA CN1CCC[C@@]2(CCN(C(=O)c3cc4sccc4[nH]3)C2)C1=O 67727089 WGEMZJBSTBFATA-INIZCTEOSA-N 317.414 2.314 0 50 DEAA CC(=O)NCCc1nc(-c2ccccc2)nn1-c1ccccn1 63846080 AWXNKVBDUKIMCC-UHFFFAOYSA-N 307.357 2.008 0 50 DEAA CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O 3945 ZIGMMUKDYCABPW-UHFFFAOYSA-N 319.386 2.475 0 50 DEAA biogenic,in-vivo CCOC(=O)c1cn2c3c(c(F)c(F)cc3c1=O)OC[C@@H]2C 361136 TZSXJUSNOOBBOP-ZETCQYMHSA-N 309.268 2.410 0 50 DEAA in-vitro CCc1ncc2c(n1)CN(C(=O)c1cn3cc(C)ccc3n1)C2 67714504 UDENOIKGRPPOPE-UHFFFAOYSA-N 307.357 2.151 0 50 DEAA COCC1(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)CCC1 67896355 WHNDJZGOTBDRDE-UHFFFAOYSA-N 303.406 2.433 0 50 DEAA COc1ccnc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 328626198 LMGKDPYAZKPLJS-HOCLYGCPSA-N 313.405 2.009 0 50 DEAA CCc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)on1 72476438 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319.386 2.142 0 50 DEAA O=C1NC2(CCO1)CCN(C(=O)OCc1ccccc1)CC2 91368664 KNIRNYHWVIRVTK-UHFFFAOYSA-N 304.346 2.288 0 50 DEAA in-vitro CCCCOc1ncccc1CNC(=O)CNc1ccccn1 585121760 YWHWFLUBEKDXGQ-UHFFFAOYSA-N 314.389 2.384 0 50 DEAA CC1CCC(N(C)C(=O)CN2CCC(c3nnco3)CC2)CC1 585116097 HGTRVHMUBLSVCK-UHFFFAOYSA-N 320.437 2.286 0 50 DEAA O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccncc1 187708264 WHUSOVMIFWURMK-DGCLKSJQSA-N 302.296 2.295 0 50 DEAA CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)s1 682256484 FQNJEOWOYAHNJK-RKDXNWHRSA-N 308.856 2.163 0 50 DEAA Cc1nc(C)n(C2CN(C(=O)c3cc(C)c(F)c(C)c3)C2)n1 407994908 FBZJZKFJZFUVLM-UHFFFAOYSA-N 302.353 2.348 0 50 DEAA COC(=O)[C@H]1CC12CCN(C(=O)C1(OC)CCCCC1)CC2 408307179 CVNPOOCMRJMLFB-CYBMUJFWSA-N 309.406 2.137 0 50 DEAA O=C(NS(=O)(=O)Cc1ccc(F)cc1)C1CC2(CCC2)C1 408504905 ZPYOSKGUXDUJOO-UHFFFAOYSA-N 311.378 2.352 0 50 DEAA CN(c1ncc(F)cn1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 408522614 KOAUDJRNYSKDNV-LBPRGKRZSA-N 310.373 2.355 0 50 DEAA COC(=O)[C@H](CNC(=O)c1csnc1C)c1ccc(F)cc1 192772193 PYLROOLVXLDJMR-GFCCVEGCSA-N 322.361 2.277 0 50 DEAA CN(Cc1cnc[nH]1)c1nc(-c2cccnc2)nc2c1CCC2 664127425 QBUIUIGKJVRSGD-UHFFFAOYSA-N 306.373 2.387 0 50 DEAA Cn1ccnc1[C@@H]1OCC[C@H]1CNCc1ccc(Cl)cn1 667923060 BIMNRVZWFGMCDD-SMDDNHRTSA-N 306.797 2.336 0 50 DEAA CC(C)[C@H](NC(=O)c1c(Cl)cnn1C)c1nc(C2CC2)no1 668094956 YLQZXAFBXVCZPU-JTQLQIEISA-N 323.784 2.461 0 50 DEAA CCOc1ccc([C@@H](C)NC(=O)Cn2nc(C)cc2N)cc1F 1506425011 BEICZBDUUHOBLM-LLVKDONJSA-N 320.368 2.189 0 50 DEAA CC(C)n1cc(Br)cc1C(=O)N1CCC[C@H]1CN 122330269 CYEMHJRAOXALGD-NSHDSACASA-N 314.227 2.395 0 50 DEAA C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1cc(=O)n(C)cn1 1615552345 NEGQFPIAFMHOTK-VIFPVBQESA-N 303.749 2.025 0 50 DEAA COc1cnc(C(=O)N[C@@H]2CCCc3cnn(C(C)C)c32)nc1 1616016372 DOZJAMIFHJJMFZ-CYBMUJFWSA-N 315.377 2.070 0 50 DEAA OCCNCc1ccc(OCc2ccc3c(c2)OCCO3)cc1 15083794 FIUDDOANINUURS-UHFFFAOYSA-N 315.369 2.119 0 50 DEAA NC(=O)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 16625457 VGTFJPWQCANFCD-UHFFFAOYSA-N 300.280 2.043 0 50 DEAA CCOC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)C1NCCCN1 19320278 CZVFPWWLNPBZJF-CYBMUJFWSA-N 324.808 2.001 0 50 DEAA COc1ccc(NC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c(OC)c1 19841498 LUBIYHKZWFTPAV-CHWSQXEVSA-N 322.405 2.142 0 50 DEAA CCOC[C@H](O)CSc1nncn1-c1ccc(C)cc1C 225569978 FFDYDTTWOPULRU-ZDUSSCGKSA-N 307.419 2.374 0 50 DEAA COc1cccc([C@H]2C[C@@H](O)CN2c2nc(C)cc(OC)n2)c1 225701327 VAUMVNATRPUUDH-UKRRQHHQSA-N 315.373 2.115 0 50 DEAA CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1c[nH]cc1-c1cnn(C)c1 428034184 SFFGAKNWDGDRMT-LRDDRELGSA-N 316.405 2.038 0 50 DEAA CCc1cc2c(N[C@H](CO)c3ccnn3C)nc(C)nc2s1 641629019 AIQTYJBYWPFOAX-GFCCVEGCSA-N 317.418 2.441 0 50 DEAA CNC(=O)[C@H]1CCCCN1C(=O)c1coc2ccc(OC)cc12 331964644 MEGHBGWLOIWYAU-CQSZACIVSA-N 316.357 2.182 0 50 DEAA Cc1ncsc1C(=O)N[C@@]1(C(=O)O)CCc2ccccc21 675989534 CZWPGSYGRPMJAC-HNNXBMFYSA-N 302.355 2.108 0 50 DEAA CC[C@@](NC(=O)c1cnn2ccccc12)(C(=O)O)c1ccccc1 362346324 LMKYIZPWIVBYSF-SFHVURJKSA-N 323.352 2.454 0 50 DEAA Cc1ncccc1C(=O)N1CCN(C(=O)c2ccsc2)CC1 264481457 QEWQBOLUAOXXAL-UHFFFAOYSA-N 315.398 2.050 0 50 DEAA CCc1nnc(C(=O)N[C@@H]2CCc3cc(O)ccc3C2)s1 907769670 DCLQLFOSKHGZEH-LLVKDONJSA-N 303.387 2.093 0 50 DEAA CC(C)(C)OC(=O)NC[C@H]1C[C@H](NCC2(O)CCC2)C1(C)C 1775998233 CIXQPEJQPJQBFL-OLZOCXBDSA-N 312.454 2.430 0 50 DEAA CCN(Cc1ccccc1)C(=O)CN(C)Cc1ccnn1CC 352340751 CYPUQOUKZXOUKD-UHFFFAOYSA-N 314.433 2.384 0 50 DEAA CCOc1cccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)c1 49438 NBLMFZTVDVTAOY-HNNXBMFYSA-N 302.374 2.203 0 50 DEAA CC1(C)[C@@H](NC(=O)c2cnn3cccc(Cl)c23)C[C@H]1CN 2325799818 ZKMCWNJXHMHAPQ-CABZTGNLSA-N 306.797 2.091 0 50 DEAA O=C(N[C@]1(c2ccccc2)C[C@H](O)C1)[C@@H]1CC[C@@H]2CCCCN21 914175209 TVMBEJJBPLZUQB-LSTDLKDCSA-N 314.429 2.170 0 50 DEAA O=C(c1ccco1)N1CCN(C(=O)c2ccccc2F)CC1 68688 VQWCVTAQKPOCDB-UHFFFAOYSA-N 302.305 2.017 0 50 DEAA CCOC(=O)Cc1csc(NC(=O)Cc2ccccc2)n1 85404 ZAFYLKARKYIKCT-UHFFFAOYSA-N 304.371 2.430 0 50 DEAA CC[C@H](O)c1ccc(OC[C@@H](O)CN2CCCCC2)c(OC)c1 238693 WGYOXLHUEHBVOF-HOTGVXAUSA-N 323.433 2.364 0 50 DEAA biogenic Cc1c(NC(=S)NC(=O)c2ccco2)cccc1C(=O)O 311447 FWSZLGXMRSJCOP-UHFFFAOYSA-N 304.327 2.413 0 50 DEAA O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccn1 781741 AOKWOOXEVCMDTG-UHFFFAOYSA-N 311.370 2.393 0 50 DEAA CC1=NC(=O)C2(CCN(Cc3cccc4ncsc34)CC2)N1 2356167214 VHICUWWMWCXKBP-UHFFFAOYSA-N 314.414 2.179 0 50 DEAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1cnc2c(c1)CCCC2 2356170859 HLWDQRSYOFHILW-YEORSEQZSA-N 302.374 2.334 0 50 DEAA COCCCNC(=O)[C@@H](C)N1C(=O)c2cccc3cccc1c23 4821194 MXKNGPOMBAILJU-GFCCVEGCSA-N 312.369 2.341 0 50 DEAA COC(=O)c1sc(NC(=O)Cc2ccccc2OC)nc1C 6698904 BMFDWTBLSHMKJE-UHFFFAOYSA-N 320.370 2.428 0 50 DEAA COc1cccc(N2C[C@H](C(=O)Nc3ccccn3)CC2=O)c1 7452187 IGMMDHHJNBJWDN-GFCCVEGCSA-N 311.341 2.082 0 50 DEAA COC(=O)c1sccc1S(=O)(=O)N(C)c1ccccc1 8986727 JQDASXSFEYTFLI-UHFFFAOYSA-N 311.384 2.360 0 50 DEAA COc1ccc(CN(C)Cc2cnn(C)c2)c(OC)c1OC 20537571 GHDLVDVTCSLLNN-UHFFFAOYSA-N 305.378 2.078 0 50 DEAA CN1CCN(C(=O)c2cnn3ccccc23)[C@@H](c2ccccc2)C1 346547262 VVGKDMCWZXZQIQ-GOSISDBHSA-N 320.396 2.463 0 50 DEAA O=C(c1cnc2sc3c(n2c1=O)CCCC3)N1CCCCC1 10327427 RWROVECZLUKJKR-UHFFFAOYSA-N 317.414 2.261 0 50 DEAA O=C(NCCCCN1CCOCC1)c1cc2ccccc2o1 27090735 KUJQEQAVMNFFAO-UHFFFAOYSA-N 302.374 2.275 0 50 DEAA in-vitro C[C@H](NC[C@H]1CCCC[C@H]1NS(C)(=O)=O)C1CCCC1 348649763 SKAOBXJWPGBGOX-NWANDNLSSA-N 302.484 2.263 0 50 DEAA CCOC(=O)NC(=S)Nc1ncccc1Br 116863361 KIEUKZNLWJFVON-UHFFFAOYSA-N 304.169 2.287 0 50 DEAA O=C(Nc1ccc2nsnc2c1)[C@@H]1COc2ccccc2O1 21659224 SLRWUKMNSVMXPA-AWEZNQCLSA-N 313.338 2.470 0 50 DEAA O=C(c1nnc2ccccc2n1)N1CC[C@H](O)c2ccccc2C1 365631785 AASNNGJSFDAJGQ-INIZCTEOSA-N 320.352 2.104 0 50 DEAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)CC[C@H]1CCCCO1 328620134 GSJDBTAKMRFXGC-HUUCEWRRSA-N 305.422 2.253 0 50 DEAA CCOC(=O)c1cnc(SCc2cncc(F)c2)nc1N 233707342 CBNITBGZUKBZPS-UHFFFAOYSA-N 308.338 2.062 0 50 DEAA CCOC(=O)c1cocc1C(=O)Nc1ccccc1C(=O)O 827217 UXEOVCOYYSBHCJ-UHFFFAOYSA-N 303.270 2.407 0 50 DEAA C[C@@](O)(CCc1ccccc1)C(=O)NCC1(CO)CCCC1 253392965 NJONCVAGUUQQDY-QGZVFWFLSA-N 305.418 2.039 0 50 DEAA COc1c(C)cnc(CN2CCN(CC(C)C)C(=O)[C@@H]2C)c1C 72141775 BIPQSHYORBFOES-HNNXBMFYSA-N 319.449 2.396 0 50 DEAA Cc1ccc(-n2ccnc2-c2cc3n(n2)CCCNC3)c(C)n1 72440652 YRXSPCHPZGDFBB-UHFFFAOYSA-N 308.389 2.241 0 50 DEAA O=C(CCc1ccccc1OC(F)(F)F)N1CCCNCC1 237715972 ROQNSCZFNDHQMO-UHFFFAOYSA-N 316.323 2.340 0 50 DEAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 261674171 HLKDBKYYMPCFTA-ZDUSSCGKSA-N 319.357 2.317 0 50 DEAA Cn1nncc1C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 370532591 BSDYZPWVHQQGRG-LBPRGKRZSA-N 302.353 2.364 0 50 DEAA c1ccc(-c2nc(CNc3ncnc4c3CCNCC4)co2)cc1 72454108 BHPHYDGRWDKXCZ-UHFFFAOYSA-N 321.384 2.432 0 50 DEAA Cn1nnc2ccc(C(=O)N3CC(C)(C)O[C@@H]4CCC[C@H]43)cc21 375986271 HPLLCMNBEPEFOA-UKRRQHHQSA-N 314.389 2.140 0 50 DEAA Cc1nnc(N2C[C@H](COc3ccccc3)OC(C)(C)C2)o1 285170638 UWBQJWXDWULWTG-CQSZACIVSA-N 303.362 2.441 0 50 DEAA CC(C)c1nc(N[C@H](C)Cc2cnccn2)c2cnn(C)c2n1 72168809 FHWIJSDWVQPWFS-LLVKDONJSA-N 311.393 2.320 0 50 DEAA Cc1nc(C2CCN(C(=O)c3ncc(F)cc3F)CC2)no1 220187311 IDNRJAKBDLJQHR-UHFFFAOYSA-N 308.288 2.071 0 50 DEAA CCN1CCC[C@@H](NC(=O)c2ccccc2-c2nnc(C)o2)C1 178106252 GOFWYGUVZQXIIS-CYBMUJFWSA-N 314.389 2.259 0 50 DEAA c1ccc(-c2cc(CNc3cc([C@@H]4CCOC4)ncn3)on2)nc1 426402203 ZWAWARWLELDBJD-GFCCVEGCSA-N 323.356 2.643 0 50 DEAA c1ccc2c(c1)ccn2CCNc1cc([C@H]2CCOC2)ncn1 426684591 YHXBDMGQZIVLPL-HNNXBMFYSA-N 308.385 3.047 0 50 DEAA O=C(C[C@@H]1CCc2ccccc21)NCc1cc2n(n1)CCCNC2 82120524 GFUZEFVICKJHBY-HNNXBMFYSA-N 324.428 2.113 0 50 DEAA CCc1c(C)nn(CCNC(=O)C(C)(C)n2cccc2)c1C 426642900 NKZQLPONFRRGHQ-UHFFFAOYSA-N 302.422 2.415 0 50 DEAA C[C@@H](O)c1cccc(N2CCC(CCN3CCCC3=O)CC2)n1 96180726 HYTAPJZYQMFHDO-CQSZACIVSA-N 317.433 2.364 0 50 DEAA CCOc1ccccc1[C@@H](C(=O)O)N(C)Cc1nccn1C 95372760 GZQKBWWOXFSLRY-HNNXBMFYSA-N 303.362 2.077 0 50 DEAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC(c2nc[nH]n2)CC1 91350806 KXPVGKMIVQXVIV-UHFFFAOYSA-N 322.372 2.215 0 50 DEAA CCN1CCC[C@](C)(C(=O)NCc2cccc(C(=O)O)c2)C1 95501996 KPTCOYHAHIPHAY-KRWDZBQOSA-N 304.390 2.123 0 50 DEAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCc2[nH]cnc2C1 95380882 XKWAYROMTZTETJ-UHFFFAOYSA-N 311.320 2.137 0 50 DEAA COc1ccc(C2(C(=O)N[C@@H](CC(C)C)C(=O)O)CC2)cc1 244742079 OBLZKLPZEPOULT-AWEZNQCLSA-N 305.374 2.342 0 50 DEAA CC(C)c1nsc(CN2C[C@H](CO)Oc3ccccc32)n1 864091377 ULJJNERUOCKEHT-LLVKDONJSA-N 305.403 2.421 0 50 DEAA CCOC(=O)[C@@H](NC(=O)c1cc[nH]n1)c1cccc(C)c1C 184434918 WBHJXUGJROZEIQ-AWEZNQCLSA-N 301.346 2.061 0 50 DEAA CC[C@H](NC(=O)CN1CCCCCCC1)c1ncnn1CC 534653779 PJDKZGRVIIIHEG-AWEZNQCLSA-N 307.442 2.131 0 50 DEAA O=C(COc1ccccc1Cl)N[C@H]1CCc2c[nH]nc2C1 378108971 IRRPPSOXBBCWTD-NSHDSACASA-N 305.765 2.116 0 50 DEAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(Cl)cc1 299792343 FRELYYAJRZQRDD-GJZGRUSLSA-N 309.841 2.110 0 50 DEAA CC[C@@H](C)n1nc(C)cc1NC(=O)NCCSc1cnn[nH]1 299775420 FJLLXWPYHUAKFT-SNVBAGLBSA-N 323.426 2.194 0 50 DEAA Cn1nc(C(=O)N[C@H]2CC(=O)Nc3ccccc32)c2c1CCCC2 828244753 SPUSUQWHBNYNTB-AWEZNQCLSA-N 324.384 2.112 0 50 DEAA C[C@@H]1Cc2cc(NC(=O)CN(C)Cc3ccncc3)ccc2O1 823715136 SINIFIDZFIJSJD-CYBMUJFWSA-N 311.385 2.476 0 50 DEAA Oc1nc(Cn2ccnn2)nc2sc3c(c12)CCCCC3 585137077 HDOPMLBIRZTVOW-UHFFFAOYSA-N 301.375 2.306 0 50 DEAA COCCC(=O)Nc1cc(Br)cc(C(=O)O)c1C 585134494 WHQALQTZKPSGNW-UHFFFAOYSA-N 316.151 2.431 0 50 DEAA CC(C)n1cc(CNc2ncnc3ccccc23)c(O)nc1=O 952993026 AETCFIIDDIVODQ-UHFFFAOYSA-N 311.345 2.085 0 50 DEAA Cc1nc(CN(C)C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)co1 1875295987 DKUNMPWOFXAFSJ-UHFFFAOYSA-N 313.357 2.485 0 50 DEAA O=C(NCCn1cc(Cl)cn1)Nc1cnc2c(c1)CCC2 1875277548 QFTGYTNKMWOEJM-UHFFFAOYSA-N 305.769 2.242 0 50 DEAA CC(C)C(=O)Nc1cccc(C(=O)N2CCC[C@@H](O)CC2)c1 952982916 YUVDRTHOSZDYTQ-OAHLLOKOSA-N 304.390 2.268 0 50 DEAA COc1ccc([C@@H](C)NC(=O)c2cn3c(n2)COCC3)cc1C 887318115 BSQQAMBVMOOXRQ-GFCCVEGCSA-N 315.373 2.221 0 50 DEAA CC1(C)CC[C@H](CCNC(=O)c2cc3n(n2)CCCC3=O)OC1 887410840 WBFFDMRPROMVKS-GFCCVEGCSA-N 319.405 2.185 0 50 DEAA CC(C)N(C)C(=O)C1CCN(c2cccc([C@H](C)O)n2)CC1 891815043 UZPSKYWQGNJQNQ-ZDUSSCGKSA-N 305.422 2.218 0 50 DEAA CC1(C)CC(CC(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)C1 1775961016 CPCHNIWMOQONMQ-JZLYGMAVSA-N 309.406 2.341 0 50 DEAA CC(C)N(C(=O)N[C@H]1COCC[C@@H]1Oc1ccccn1)C(C)C 1565513538 PSLJFNXGMOLGIS-GJZGRUSLSA-N 321.421 2.446 0 50 DEAA O=C(NC[C@@H]1CCN(CC(F)F)C1)c1cc2ccccc2[nH]1 1363320168 ZHIRPKOVDIQOOI-NSHDSACASA-N 307.344 2.485 0 50 DEAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc(Cl)c[nH]2)cn1 275397118 RRMFKSWDQLYDCU-WCQYABFASA-N 308.769 2.145 0 50 DEAA Cc1ccsc1C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 275952358 MENFGUYPTNLQDN-ZDUSSCGKSA-N 316.430 2.193 0 50 DEAA C[C@H](c1cnn(C)c1)c1nc([C@@]23OCCC[C@@H]2C3(F)F)no1 585120433 NNVFGCQWSYPEAV-DVYJOKAKSA-N 310.304 2.226 0 50 DEAA COc1ccc(N2C[C@H](C(=O)N[C@H]3CC=CCC3)CC2=O)cc1 172480610 QDRUZGQRCMTHTE-KGLIPLIRSA-N 314.385 2.273 0 50 DEAA CO[C@H](CN[C@H](C)[C@H](c1ccccc1)N(C)C)[C@@H]1CCOC1 585117762 VYKMOWRMNBZHJQ-VDHUWJSZSA-N 306.450 2.319 0 50 DEAA O=C(O)[C@H]1CCCN(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)C1 635520225 FKJJDJLHTPNOON-ZNMIVQPWSA-N 318.373 2.023 0 50 DEAA 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CC(C)c1cccc(CC(=O)N2CCO[C@@H](c3ncon3)C2)c1 457702931 SCLYRVMVTFLFJR-OAHLLOKOSA-N 315.373 2.336 0 50 DEAA C[S@@](=O)c1ccc(C(=O)Nc2cccc(CC(=O)O)c2)cc1 610891370 NEOLPIWCBIVMDJ-JOCHJYFZSA-N 317.366 2.303 0 50 DEAA O=C(N[C@H](CO)c1ccccc1)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 245528986 QVSHEMVCMPZLSH-BSDSXHPESA-N 308.381 2.358 0 50 DEAA Cn1ncnc1[C@H](NC(=O)CCCOc1ccccc1)C1CC1 220185836 CSUMOGFEUVZXMJ-MRXNPFEDSA-N 314.389 2.242 0 50 DEAA COc1ccc(OC)c(CN2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)c1 426527619 BESZZDZFXASLIS-FHLIZLRMSA-N 321.417 2.208 0 50 DEAA O=C([C@@H]1Cc2ccccc2O1)N1CCC(Oc2cccnc2)CC1 221246315 FSMGAGZZSZBYGG-SFHVURJKSA-N 324.380 2.455 0 50 DEAA CC(C)N1CCC[C@@H](C(=O)NCc2cnc3c(c2)CCC3)C1 426484918 VQTIXDQTUCZPHZ-MRXNPFEDSA-N 301.434 2.307 0 50 DEAA COc1ccc(NS(=O)(=O)c2ccsc2C(=O)O)cc1 20849103 WMSAYCFROFLCEF-UHFFFAOYSA-N 313.356 2.256 0 50 DEAA CN(C)S(=O)(=O)c1ccc(-c2cc(C3CC3)ncn2)cc1 426497087 XQYMLZLRNVMVIB-UHFFFAOYSA-N 303.387 2.271 0 50 DEAA CN1CCOC[C@@H](CNC(=O)Nc2cc(F)cc(Cl)c2)C1 97547694 HHKVLBBCFIVHCT-JTQLQIEISA-N 315.776 2.179 0 50 DEAA CCCc1cc(N2CCC(NCC3(C)COC3)CC2)nc(C)n1 95528473 RHWOFNGELPBMIQ-UHFFFAOYSA-N 318.465 2.332 0 50 DEAA COc1c(C(=O)N2Cc3ccccc3O[C@@H](C)C2)c(C)nn1C 293913149 OPSIYNMURARYMT-NSHDSACASA-N 315.373 2.160 0 50 DEAA Cc1nn(C)c2nc(N3CCN(CC(C)C)C(=O)[C@H]3C)sc12 95509871 XOUHZPHBLZGKKR-LLVKDONJSA-N 321.450 2.031 0 50 DEAA OCCn1c(N2CCC[C@H](c3ncc[nH]3)C2)nc2ccccc21 95510587 IFXKIEZZQBEQFR-ZDUSSCGKSA-N 311.389 2.136 0 50 DEAA Cc1occc1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 245289922 GBEOPZVTYKXBKD-HYVNUMGLSA-N 324.380 2.475 0 50 DEAA O=S1(=O)CCC[C@@H](CN2CCC[C@H]2COc2ccccc2)C1 296185158 INNAGMXFVGZOTA-HOTGVXAUSA-N 323.458 2.355 0 50 DEAA CCc1ccc(O)c(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 182110992 YSIYDBMROOMAEU-CYBMUJFWSA-N 300.362 2.440 0 50 DEAA CCc1ccc(NC(=O)CN2C(=O)NC(=O)C2(C)C)cc1CC 182287943 STVONTPEZKMXMJ-UHFFFAOYSA-N 317.389 2.080 0 50 DEAA CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC(C)=NO2)CCO1 864095444 LXADKJYKNAKRSA-ILXRZTDVSA-N 311.426 2.434 0 50 DEAA CC[C@H](NC(=O)CCn1ccc2cc(Cl)ccc21)C(N)=O 298208097 DFLSQNRGRKGDLK-LBPRGKRZSA-N 307.781 2.065 0 50 DEAA COc1c2c(c(Br)c([C@@H](C)O)c1OC)OCO2 253470947 IQSCUGKAMOUTQK-RXMQYKEDSA-N 305.124 2.248 0 50 DEAA CCc1cccc(OC2CN(C(=O)NCC(C)(C)N(C)C)C2)c1 534653770 XAZCHFSDWDETOS-UHFFFAOYSA-N 319.449 2.362 0 50 DEAA CN(Cc1nccn1Cc1ccccc1)C(=O)C[C@@H]1CCOC1 362020470 AANIIZPSASARAM-INIZCTEOSA-N 313.401 2.316 0 50 DEAA Cc1ccn2c(F)c(C(=O)N(C)C[C@H]3CCCCO3)nc2c1 299757065 LVODEKDURZHQIF-GFCCVEGCSA-N 305.353 2.423 0 50 DEAA CN(Cc1cc2ccccc2s1)C(=O)CCS(C)(=O)=O 827884257 NKZQBJRWLPMKGY-UHFFFAOYSA-N 311.428 2.294 0 50 DEAA Cc1nc(C(F)(F)F)ncc1CN1[C@H]2CC[C@@H]1CCN(C)C2 584899512 PBFRPOHURMWVES-OLZOCXBDSA-N 314.355 2.472 0 50 DEAA Cc1nc2ccc(C(=O)NCCN=c3cc[nH]cc3C)cc2o1 670455884 XEURNCVBJCYUKI-UHFFFAOYSA-N 310.357 2.103 0 50 DEAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1c(Cl)n[nH]c1C1CC1 866784559 YCQRTLXBYGILFB-SMDDNHRTSA-N 317.776 2.329 0 50 DEAA O=C(O)COc1cccc(C(=O)NC[C@@H]2CCC[C@@H](F)C2)c1 952876036 MXQCUUXKSFOLOU-DGCLKSJQSA-N 309.337 2.408 0 50 DEAA O=C(NC[C@@H]1CCCCN1CC1=NOCC1)Nc1ccccc1 952879537 FJEHLVTTYXIBEI-INIZCTEOSA-N 316.405 2.439 0 50 DEAA CNC(=O)c1cc(C2CC2)nc2c1cnn2Cc1cccnc1 1875253940 OLCUVCBSHCRHKZ-UHFFFAOYSA-N 307.357 2.112 0 50 DEAA COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1nccc2c1[nH]c1ccccc12 1875320532 STZOQCQPLBIUQD-ZWNOBZJWSA-N 323.352 2.255 0 50 DEAA COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc2nc(S)oc2c1 1875390220 VDYFQSXXTOIFAB-NXEZZACHSA-N 320.370 2.188 0 50 DEAA CCC1(Cn2cc(-c3csc(N(C)C4CC4)n3)nn2)COC1 887513437 MEQXALXDMUKQHJ-UHFFFAOYSA-N 319.434 2.427 0 50 DEAA O=C(NCc1ccc(-c2nc[nH]n2)cc1)C1(C(F)(F)F)CC1 1775998198 BFIFJSOSJRQPGY-UHFFFAOYSA-N 310.279 2.430 0 50 DEAA O=C(CC1=CCCCC1)NCc1cccc(N2CCOCC2)n1 274872519 XWFPKYKVOMDRML-UHFFFAOYSA-N 315.417 2.425 0 50 DEAA CC[C@H](C)CS(=O)(=O)c1nc(C)c(C)n1C[C@@H]1CCCO1 86994301 VAKXKWTVQQSYML-FZMZJTMJSA-N 314.451 2.499 0 50 DEAA CCC(CC)c1cc(CNC(=O)C(=O)N2CC[C@H](C)C2)on1 170598502 UFWKEBHLHOCYGF-NSHDSACASA-N 307.394 2.063 0 50 DEAA CC(C)(C)OC(=O)N1CCn2ncc(Br)c2C1 95635306 AHUXCBVCMJGTTD-UHFFFAOYSA-N 302.172 2.396 0 50 DEAA in-vitro C[C@@H](C(=O)N1CCC(C2CCCCC2)CC1)N1CCN(C)CC1 725886706 KMTCNGNRQJOMOG-INIZCTEOSA-N 321.509 2.441 0 50 DEAA C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C(N)=O)CCCO1 408518503 KYNPZEQCCXXDKF-SECBINFHSA-N 302.296 2.420 0 50 DEAA CC(=O)Nc1ccc(OC(=O)c2n[nH]c3ccccc3c2=O)cc1 110043451 GCXFLVHTPDQQFE-UHFFFAOYSA-N 323.308 2.101 0 50 DEAA COc1ccc([C@@](C)(O)[C@@H]2CCCN2Cc2nnc(C)o2)cc1 583615584 MQJIFRXWTJBFNE-DOTOQJQBSA-N 317.389 2.259 0 50 DEAA Cc1ccc(N2CCCN(CCc3cccc(C)n3)CC2)nn1 645793931 OFQLUWCRGLZZBP-UHFFFAOYSA-N 311.433 2.243 0 50 DEAA Oc1cccc([C@H](O)CNC2CCN(Cc3ccco3)CC2)c1 1506429542 UISNNHKXMHPUMM-GOSISDBHSA-N 316.401 2.273 0 50 DEAA c1ccc(N2CC[C@H](N3CCCN(c4ncccn4)CC3)C2)cc1 1506412836 FFHIDZOIFOIXCM-SFHVURJKSA-N 323.444 2.268 0 50 DEAA COCCSc1nnc(NC(=O)C[C@@H]2CCCOC2)s1 1529104639 RCGSVNUREWIWBO-VIFPVBQESA-N 317.436 2.032 0 50 DEAA CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(C)nn1CC(=O)O 1615003464 PHYISDHVLHNKON-CYBMUJFWSA-N 323.393 2.343 0 50 DEAA COC[C@H](C)n1cc(C(=O)NCc2cnc(C)cc2C)c(C)n1 1615003389 LSGLVXAYAJSJPT-ZDUSSCGKSA-N 316.405 2.341 0 50 DEAA C[C@@H]1C[C@@H](C)[C@@H](C(=O)N2CCC(CN)(c3ccccc3)CC2)O1 1615554888 NNDDFFSJEBVBGH-INMHGKMJSA-N 316.445 2.319 0 50 DEAA CCC[C@@H]1COC[C@@H]2CN(Cc3ccnc(C(C)C)n3)CCN21 1616074146 AICWQZVQFJTECU-SJORKVTESA-N 318.465 2.285 0 50 DEAA C[C@@H](O)c1nc2cc(-n3ccnc3-c3nccn3C)ccc2n1C 1772810958 RGVSJZABBFQWJS-LLVKDONJSA-N 322.372 2.213 0 50 DEAA CC(C)N1C[C@@H](CN(C)CCN2CCCCCC2)CCC1=O 1775983772 BEJQZZNNVMFCEB-QGZVFWFLSA-N 309.498 2.441 0 50 DEAA CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc2cncn2c1C 1647147355 AMJZVGOEVHDDTG-GFCCVEGCSA-N 315.295 2.028 0 50 DEAA O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1nc(CCc2ccccc2)n[nH]1 16425758 FYTARQPVIPWYST-KBPBESRZSA-N 324.384 2.270 0 50 DEAA O=C(NCCN1CCOCC1)c1ccc(-c2ccccc2)cc1 19720331 YTLASBXFYKFUQU-UHFFFAOYSA-N 310.397 2.416 0 50 DEAA COc1cccc(C(=O)N2CCN(Cc3cccnc3)CC2)c1 19773586 LSMUOJYMXMFJSK-UHFFFAOYSA-N 311.385 2.048 0 50 DEAA O=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1ccc[nH]1 169778315 FKRCLSSDFLKCFX-UHFFFAOYSA-N 318.340 2.049 0 50 DEAA COC(=O)[C@@H]1CCc2nnc(COCc3ccccc3)n2CC1 601044811 RJSLEGIXJGEQPF-CQSZACIVSA-N 315.373 2.120 0 50 DEAA Cc1n[nH]c(C)c1CC(=O)N[C@H](CC1CCCCC1)C(=O)O 318843262 FCGITLWDNFKALJ-CQSZACIVSA-N 307.394 2.109 0 50 DEAA Cc1noc([C@@H]2CCN(C(=O)c3cc(Cl)cc(F)c3N)C2)n1 332069862 BJCUAHBHRGVWEM-MRVPVSSYSA-N 324.743 2.382 0 50 DEAA CN(C)c1nccc(N2CCC(Oc3ncccc3F)CC2)n1 447687074 BMQNNGVXPINTBC-UHFFFAOYSA-N 317.368 2.125 0 50 DEAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(NC2CC2)nc1 248081173 AJDNYDZSRADMKF-JKSUJKDBSA-N 314.433 2.355 0 50 DEAA CNS(=O)(=O)[C@H]1CCN(Cc2cccc(C3CCCC3)c2)C1 667708474 CLAQGWUODNRAKR-KRWDZBQOSA-N 322.474 2.468 0 50 DEAA C[C@H](C1CC1)n1nccc1NC(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 669312769 QAXCVYZBPSVMBY-UNQGMJICSA-N 318.421 2.479 0 50 DEAA Cn1cc(-c2cncc(C(=O)N[C@@H]3CCCC3(F)F)c2)cn1 673375750 AUQQFWJQPQWVIM-CYBMUJFWSA-N 306.316 2.400 0 50 DEAA Cn1nc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1C1CC1 358201187 UAUXHIBPYTVGTJ-UHFFFAOYSA-N 318.764 2.302 0 50 DEAA O=C(O)CC[C@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2O1 261621292 AWLXSKXHPLBNRJ-DOMZBBRYSA-N 319.357 2.072 0 50 DEAA CN1CCC[C@@](O)(CC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)C1 900858442 KRDCWIGPKJADII-NVXWUHKLSA-N 322.836 2.460 0 50 DEAA CCCc1cc(C(=O)N[C@@H](C(=O)O)c2ccc(F)cc2)n[nH]1 902855578 FEYDBHZPYINAMI-CYBMUJFWSA-N 305.309 2.057 0 50 DEAA O=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2ccoc2)C[C@@H]1O 1704325638 KRYYCNLOJVSCGU-FUHWJXTLSA-N 315.369 2.160 0 50 DEAA Cc1cc(N2CCC[C@@H](NC[C@H](O)c3ccccc3)C2)n(C)n1 819267719 WIEUONZCTMRGRJ-SJORKVTESA-N 314.433 2.021 0 50 DEAA NC(=O)NCc1ccc(NC(=S)NCc2ccccc2)cc1 921269106 PWNUZTMJYGLYMC-UHFFFAOYSA-N 314.414 2.342 0 50 DEAA COC[C@@H](NC(=O)c1cc2c(C)cccn2c1)C1CCOCC1 824774718 ZBABHURDMRFKJN-MRXNPFEDSA-N 316.401 2.419 0 50 DEAA CCn1ncc(CN2CCCN(c3cccc(F)c3F)CC2)n1 852110583 QGXPJLHLJKMBBT-UHFFFAOYSA-N 321.375 2.289 0 50 DEAA O=C(O)c1csc([C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1 2325769451 DTHNRJLQUZOINC-SNVBAGLBSA-N 305.359 2.189 0 50 DEAA CC(C)(C)[C@@H]1[C@H](O)CCN1C(=O)c1ccc2c(c1)OCCCO2 2325800232 YXXMEAPPTZTDJC-CJNGLKHVSA-N 319.401 2.469 0 50 DEAA C[C@@H](C(=O)NCC(F)(F)F)N1CC[C@H](c2cccc(O)c2)C1 2325804118 WGGURFTUNYJNSQ-JQWIXIFHSA-N 316.323 2.249 0 50 DEAA CCc1cnccc1C(=O)N1CC[C@@H](C2CC(NC(C)=O)C2)C1 2325849542 SGYSUGQKDYBUGG-QQFBHYJXSA-N 315.417 2.021 0 50 DEAA CC1(C)CNC[C@H]1C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 884139906 FLZYTKIRZYNVEB-ZBFHGGJFSA-N 304.409 2.462 0 50 DEAA CC(C)c1nnc(NC(=O)CNC(=O)c2cccs2)s1 412944 VZMRBCNWOUNWMY-UHFFFAOYSA-N 310.404 2.092 0 50 DEAA CCCCC1CCC(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 4196181 HYGUOKVHOMDQDK-RUXDESIVSA-N 301.452 2.286 0 50 DEAA O=C(O)c1cccc(NC(=O)c2ccc(-n3cnnc3)cc2)c1 6703831 SVSFCOFYCNBHCS-UHFFFAOYSA-N 308.297 2.218 0 50 DEAA CCN[C@H](C)CNC(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 418204018 XACYCVZYUSTJGN-BMFZPTHFSA-N 305.422 2.204 0 50 DEAA COc1cccc(CN2CCN(CC(C)C)[C@H](CCO)C2)c1 104462638 LJQARRQHHDPQLQ-QGZVFWFLSA-N 306.450 2.220 0 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312.826 2.277 0 50 DEAA CCCS(=O)(=O)N1CCN(Cc2c[nH]c3ccccc23)CC1 19850988 RURVCUUMZFDATD-UHFFFAOYSA-N 321.446 2.025 0 50 DEAA Cc1nc(N2CCOc3ccc(CO)cc3C2)c2[nH]ccc2n1 1857691814 YMXWFVCZXUCBPB-UHFFFAOYSA-N 310.357 2.158 0 50 DEAA Cc1ccc2ncnc(N3CCc4[nH]nc(C5CC5)c4C3)c2n1 1857698190 HGKYWSGOSZYWKN-UHFFFAOYSA-N 306.373 2.496 0 50 DEAA Cc1cnc(C)c(N2CCC([C@H](O)CN3CCCCC3)CC2)n1 1857738466 JANRGIQDKXTNHO-QGZVFWFLSA-N 318.465 2.157 0 50 DEAA COc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1 384675 MPBNGMUVGDRNNW-SNVBAGLBSA-N 319.810 2.114 0 50 DEAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)c1cc[nH]c1 709991069 BDWLMFVAVJASHX-HOTGVXAUSA-N 300.358 2.119 0 50 DEAA CC[C@@H]1CCCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 117153379 LTXPCVWBIILJLN-CQSZACIVSA-N 313.401 2.435 0 50 DEAA C[C@H]1CCCN(C(C)(C)CNC(=O)[C@@H](O)Cc2ccccc2)C1 332615242 MQOMQRDABVARSV-RDJZCZTQSA-N 318.461 2.217 0 50 DEAA CCc1oncc1NS(=O)(=O)c1cc(C)c(C)c(C(=O)O)c1 337852320 JUUBYIYUILERLA-UHFFFAOYSA-N 324.358 2.353 0 50 DEAA COC(=O)[C@@H]1CC12CCN(Cc1ccc(O)c(OC)c1)CC2 253431191 ZNAZZCAUBDQRON-ZDUSSCGKSA-N 305.374 2.176 0 50 DEAA COCC1(CNC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)CCC1 367106400 LPSRGVNTUZOQNL-CABCVRRESA-N 320.437 2.292 0 50 DEAA C[C@@H]1N(C(=O)c2ccc(C(=O)O)cc2)CCC12CCOCC2 263580548 WBPUPWQKCJEOAV-LBPRGKRZSA-N 303.358 2.416 0 50 DEAA CCn1cc(NC(=O)Cc2ccc(C)c(Cl)c2)c(C(N)=O)n1 904883191 ZPFIHEDRWNPJPU-UHFFFAOYSA-N 320.780 2.145 0 50 DEAA O=C(Nc1cccnc1OCC(F)F)[C@H]1CC[C@@H](C(=O)O)C1 910802200 CGOIYRUVEPAXJJ-DTWKUNHWSA-N 314.288 2.165 0 50 DEAA O=C(O)c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C=CCC1 849333159 YICCBWZCYBCJRN-SECBINFHSA-N 301.751 2.035 0 50 DEAA C[C@H]1C[C@@H](NCC2CCN(c3ccncc3)CC2)c2ncnn21 925300705 OGHKFDXJUCXXPB-XJKSGUPXSA-N 312.421 2.185 0 50 DEAA CC1(C)[C@@H](C(F)F)[C@H]1C(=O)N(CCO)C1CCSCC1 2325779871 MEDLASSMUNBNAD-MNOVXSKESA-N 307.406 2.240 0 50 DEAA CCC1(S(=O)(=O)NC[C@H]2CCOCC23CCCC3)CC1 2325782889 MBGPTERCRIZYLA-CYBMUJFWSA-N 301.452 2.445 0 50 DEAA COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CCC(=O)O)CC2 152636 HBUAYNBDEBEVJW-SNVBAGLBSA-N 307.346 2.014 0 50 DEAA biogenic O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)c(Cl)c1 2967381 KTMOPHBCLCXMRW-VIFPVBQESA-N 317.172 2.227 0 50 DEAA CC(=O)N1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 6729628 JNRYNKZDUWDQKY-AWEZNQCLSA-N 302.418 2.382 0 50 DEAA CCN(C(=O)c1cn(CCOC)nn1)[C@@H](C)Cc1ccsc1 415482276 XDDCXYUUHQLKHI-LBPRGKRZSA-N 322.434 2.079 0 50 DEAA CC(C)Oc1ccc([C@H](C(=O)O)N(C)CCn2cccn2)cc1 55168411 MXHRERNGXSFAFQ-MRXNPFEDSA-N 317.389 2.428 0 50 DEAA CCCc1cc(C(=O)N2CCC3(CC2)CNC(=O)C3)cs1 65496578 HKYGLRRXHGJQLX-UHFFFAOYSA-N 306.431 2.443 0 50 DEAA CC[C@@]1(CO)CCCN1C(=O)c1cccc2ccc(O)nc12 332012606 QWJKBIGDFJQRSA-KRWDZBQOSA-N 300.358 2.318 0 50 DEAA Nc1cc(N2CCc3onc(-c4ccccc4F)c3C2)ncn1 67688885 GPIBVXOVGFUALV-UHFFFAOYSA-N 311.320 2.416 0 50 DEAA Cn1cnc(C(=O)N2CCCc3c2cccc3C(F)(F)F)n1 425646900 RJFDAYWMGYGWNE-UHFFFAOYSA-N 310.279 2.427 0 50 DEAA COc1cccc(N2C(=O)CN(Cc3cccnc3)C[C@@H]2C)c1 59343244 RUUKERKPZNIALQ-AWEZNQCLSA-N 311.385 2.328 0 50 DEAA Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)O)c1C 811631 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2.446 0 50 DEAA COc1ccc(CNC(=O)c2ccc3c(N)ncnc3c2)cc1 1135370176 DMBWAFGTNBKHES-UHFFFAOYSA-N 308.341 2.151 0 50 DEAA CCCNC(=O)c1ccc(C)c(NC(=O)N[C@@H]2CCOC2)c1 97463579 WFOVTHRQNIHSJB-CYBMUJFWSA-N 305.378 2.045 0 50 DEAA CCC(=O)C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 95357899 UWQHIFFNMFBZGL-HZPDHXFCSA-N 300.402 2.089 0 50 DEAA CCC[C@H]1CN(S(=O)(=O)c2ccc(CC)s2)C[C@@H]1N 95359850 UMYASLNUDSDRHK-JQWIXIFHSA-N 302.465 2.058 0 50 DEAA COCc1cccc(C(=O)N2C[C@H](C3CC3)[C@@H](N(C)C)C2)c1 91391117 LSYMJQRXLPYYCX-SJORKVTESA-N 302.418 2.245 0 50 DEAA COc1ccc(Cc2nc(CCSC)nn2C)cc1OC 95366492 SLDVYUUWLHUSCB-UHFFFAOYSA-N 307.419 2.329 0 50 DEAA COc1ccc(C[C@@H]2CN(C[C@H]3CC[C@@H](N)CC3)CCO2)cc1 244795202 RBKRWNGWHCKOSR-ZIFCJYIRSA-N 318.461 2.456 0 50 DEAA CS(=O)(=O)N1CCc2c(NC(=O)C[C@@H]3C=CCC3)cccc21 183878662 KXIBNRMNFHSBKC-GFCCVEGCSA-N 320.414 2.304 0 50 DEAA Cc1[nH]ncc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 299349508 OUFJGKRRPFSODM-UHFFFAOYSA-N 324.428 2.381 0 50 DEAA O=C(O)[C@H]1CCN(C(=O)c2ccccc2Oc2cccnc2)C1 299743664 OLHHCVRGBBDUNT-LBPRGKRZSA-N 312.325 2.421 0 50 DEAA Cc1noc([C@H]2CN(Cc3cncn3C(C)C)C[C@@H](C)O2)n1 628445333 UQDLESRJOBOFMH-BXUZGUMPSA-N 305.382 2.117 0 50 DEAA Cc1cnc([C@@H](C)NC(=O)CN(C)Cc2ccc(F)cc2)[nH]1 534672406 QKKNKFRFAKUSKM-GFCCVEGCSA-N 304.369 2.166 0 50 DEAA CCN(C)C1(CNC(=O)c2cc(Cl)cnc2O)CCCC1 534574453 HJNNFILFTWUWOF-UHFFFAOYSA-N 311.813 2.435 0 50 DEAA COc1cccc(N2CCC(NCCc3cnn(C)c3)CC2)c1 363538992 DAIJXZGPKSQROX-UHFFFAOYSA-N 314.433 2.230 0 50 DEAA COCC1(CNS(=O)(=O)c2ccc(C)c(F)c2)CCC1 282197730 FLWORWVVVMTVDP-UHFFFAOYSA-N 301.383 2.229 0 50 DEAA Cc1nc(-c2cccc(NC(=O)CCc3cnn(C)c3)c2)n[nH]1 298896945 ADXDWEHGQPPYMV-UHFFFAOYSA-N 310.361 2.085 0 50 DEAA Cc1n[nH]c(C2CC2)c1C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N(C)C 299784680 PWODJGDERBZWCD-VIKVFOODSA-N 302.422 2.008 0 50 DEAA C[C@H](NC(=O)CCc1cn[nH]c1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 827989709 XMAIGBXDMNYEKX-UEWJNRDRSA-N 317.433 2.178 0 50 DEAA O=C(Cc1ccsc1)N1CCCN(C(=O)C2CCC2)CC1 584888551 RVIWCRSVYOABRZ-UHFFFAOYSA-N 306.431 2.152 0 50 DEAA CCCNc1ccc(C(=O)N2CC[C@@H](CC(=O)NC)C2)cc1 584885947 TWSNVCRCSPMUMQ-ZDUSSCGKSA-N 303.406 2.107 0 50 DEAA CC[C@@H](NC(=O)N(C)Cc1ccnc(C)c1)c1ncnn1CC 584892691 ULGSMYRLLANTPD-CQSZACIVSA-N 316.409 2.294 0 50 DEAA CC(C)CCOc1ccc(CCNC(=O)N2CC(O)C2)cc1 584892246 MKZABITWCOZADS-UHFFFAOYSA-N 306.406 2.040 0 50 DEAA Oc1nc(-c2n[nH]c(C3CC3)n2)nc2sc3c(c12)CCCO3 1875279197 BKAMSNJHRYXDRA-UHFFFAOYSA-N 315.358 2.384 0 50 DEAA NC[C@@H]1CN(C(=O)c2ccc(-c3ccsc3)cc2)CCO1 1875287344 GDPIZGXKVKNJCO-OAHLLOKOSA-N 302.399 2.215 0 50 DEAA C=CC(=O)N(C)c1ccc(C(=O)NC[C@H]2CCCCN2C)cc1 1875374016 XOBNNTAUHMFICG-MRXNPFEDSA-N 315.417 2.050 0 50 DEAA C[C@@H]1CN(S(=O)(=O)c2cc(C3CC3)nn2C)c2cccnc21 1875309632 GOQOQFHKVFLISJ-SNVBAGLBSA-N 318.402 2.005 0 50 DEAA O=C(Nc1nnnn1C1CC1)c1ccc2nc(C3CC3)[nH]c2c1 1875408113 ORXGKLSJOXGPRW-UHFFFAOYSA-N 309.333 2.014 0 50 DEAA CCCCOCC(=O)N(C)C[C@@H]1CC(=O)N(C2CCCC2)C1 952991537 ZRPUVSIDTYVHKN-AWEZNQCLSA-N 310.438 2.053 0 50 DEAA Cc1cc(Cl)ccc1C1(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)CC1 888092931 TUSPFRZASPOSRG-RISCZKNCSA-N 320.820 2.463 0 50 DEAA O=C(O)c1cc(C(=O)O)c(C(=O)c2ccccc2)cc1C(=O)O 44069231 OGQPSIOWWYARAZ-UHFFFAOYSA-N 314.249 2.012 0 50 DEAA in-vitro C[C@H](NC[C@@H]1CCCO[C@H]1c1nccn1C)c1ccncn1 1775959581 HWDDAHMEGNTLAY-KCQAQPDRSA-N 301.394 2.029 0 50 DEAA C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)CCN1c1cnccn1 1364002984 QGYWKUVTHXSXMA-GFCCVEGCSA-N 316.792 2.481 0 50 DEAA Cc1cc(C(=O)N2C[C@H](C(C)C)[C@@H](NC(=O)N(C)C)C2)c(C)o1 1565526342 PFFHWKCWROGGPS-CABCVRRESA-N 321.421 2.264 0 50 DEAA C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccnn2C)C1 681465967 RBNXJOJJTDPBGC-UKRRQHHQSA-N 313.405 2.377 0 50 DEAA O=C(c1ccon1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 278440068 PFEOZICCCUKCJQ-MRVPVSSYSA-N 314.267 2.436 0 50 DEAA CCCN1CCCN(C(=O)CCc2cccc(C)c2)CC1=O 170606421 OCEFWHKVVVDISZ-UHFFFAOYSA-N 302.418 2.399 0 50 DEAA C[C@@H](O)[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2F)C1 305186283 CGRDDUWEYCCFTJ-VXGBXAGGSA-N 317.364 2.449 0 50 DEAA 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0 50 DEAA CCN1C[C@@H](C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1=O 437219079 IZODPWQTGKHGCE-FPMFFAJLSA-N 306.793 2.181 0 50 DEAA COc1ccc(CC(=O)N2CCC[C@H](CCC(=O)O)C2)cc1F 237174993 GTQZDXQLFGZTSZ-GFCCVEGCSA-N 323.364 2.480 0 50 DEAA CCN(CC(=O)NCc1cnn(C)c1)Cc1ccccc1Cl 240423753 FQNNIDGGOZZZEF-UHFFFAOYSA-N 320.824 2.212 0 50 DEAA COc1ccc(OC)c(COC[C@H](O)CN2CCCC[C@@H]2C)c1 12420200 YIDIYJZNRWHQRF-GOEBONIOSA-N 323.433 2.456 0 50 DEAA O=C(O)[C@H]1C[C@H]1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 362482197 ATUYATPEVXIMOF-OLZOCXBDSA-N 323.776 2.183 0 50 DEAA CNC[C@@H]1C[C@H](F)CN1C(=O)c1oc(-c2ccccc2)nc1C 366959312 DNTCAUBWJWPCBT-KBPBESRZSA-N 317.364 2.422 0 50 DEAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]12 1704299661 PLSCRKAZNUKDJS-NVXWUHKLSA-N 322.836 2.259 0 50 DEAA Cn1cc(OS(=O)(=O)C[C@@H]2CCC3(CCCCC3)O2)cn1 2325803880 HYWGPWMFCUVFDE-LBPRGKRZSA-N 314.407 2.011 0 50 DEAA O=C(NC1(c2nn[nH]n2)CCCCC1)[C@@H]1C[C@H]1c1ccccc1 2325807531 AUHZXLNXXQNWFT-UONOGXRCSA-N 311.389 2.279 0 50 DEAA CCc1cc(=O)c2cc(NC(=O)c3cccc(CN)n3)ccc2[nH]1 2325855896 SXBBJCLKWSLORX-UHFFFAOYSA-N 322.368 2.197 0 50 DEAA CC(C)[C@@H](NC(=O)c1coc2cc(O)ccc12)c1cnn[nH]1 2325876576 ZTBSATBVAJBWCT-CQSZACIVSA-N 300.318 2.384 0 50 DEAA COc1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 44282 WDKOMGQQTMHPLI-NSHDSACASA-N 324.336 2.318 0 50 DEAA CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2cccc(F)c2)C1 178117 ZRVAFLOPWDFBMG-CYBMUJFWSA-N 322.380 2.429 0 50 DEAA Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 2650319 JRESCQKIRPOOEM-UHFFFAOYSA-N 324.380 2.485 0 50 DEAA in-vitro O[C@@H](CN1CCCC[C@H]1Cn1cncn1)c1ccc(F)c(F)c1 247765956 KOBCCIXLWGCROF-BBRMVZONSA-N 322.359 2.144 0 50 DEAA CC(C)CN1CCN(Cc2cccc(F)c2F)C[C@H]1CCO 104382749 RPMHBUVBXSDIOK-OAHLLOKOSA-N 312.404 2.489 0 50 DEAA CNC(=O)[C@H]1CCN(CCC(=O)Nc2ccc(C)c(Cl)c2)C1 65405507 XCDZZMSFLRYJDZ-LBPRGKRZSA-N 323.824 2.045 0 50 DEAA C[C@@H](c1nccs1)N(C)C(=O)Cn1c(=O)oc2ccccc21 65409454 ZEOGRTBJCGPCTQ-JTQLQIEISA-N 317.370 2.271 0 50 DEAA CN1[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1-n1cccn1)CC2 67965137 CWYIMHRFFDSPGN-LSDHHAIUSA-N 310.401 2.181 0 50 DEAA O=c1c(-c2nc(Cc3ccccc3)no2)cnc2ccccn12 20858237 CAMVKFLESVGSPX-UHFFFAOYSA-N 304.309 2.335 0 50 DEAA CCN(c1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)CC 67612464 BNJVTANAZASUOX-UHFFFAOYSA-N 310.419 2.099 0 50 DEAA COc1cc2c(cc1O)NC(=O)C[C@H]2c1cccnc1OC 65459208 XGGCSAFMCFXZMO-JTQLQIEISA-N 300.314 2.279 0 50 DEAA Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c[nH]cc(C)c1=O 334042059 QLXHNXQXHIHLEJ-LLVKDONJSA-N 316.405 2.434 0 50 DEAA CCOc1ccc(NC(=O)N2CCC3(CC2)CNC(=O)C3)cc1 65403979 HCGQPVXMLKASFP-UHFFFAOYSA-N 317.389 2.219 0 50 DEAA CC(=O)N1CCc2c(ncn(CC3CCC(C)(C)CC3)c2=O)C1 328614920 AONUBTNPCCBAHK-UHFFFAOYSA-N 317.433 2.364 0 50 DEAA CCOc1cc(/C=C/C(=O)N(C)C2CCNCC2)ccc1OC 236870625 HTTYYJKMORKMGR-SOFGYWHQSA-N 318.417 2.318 0 50 DEAA O=C1NCCCc2[nH]c(C[C@H]3CCN(Cc4ccccc4)C3)nc21 65398533 FCZRUWKZEGVAIV-OAHLLOKOSA-N 324.428 2.150 0 50 DEAA O=C(Nc1cccc2ncccc12)c1cccn2c(O)nnc12 355706646 WPIKQGBESFGHQF-UHFFFAOYSA-N 305.297 2.235 0 50 DEAA C[C@H]1CN(Cc2nc(-c3ccc(C=O)cc3)no2)C[C@@H](C)O1 34924917 CZLAGVVABZFECZ-TXEJJXNPSA-N 301.346 2.158 0 50 DEAA Cc1cc(NC(=O)[C@H](C)Nc2ccc3c(c2)NC(=O)CC3)on1 174193341 VOLDKIQGWIQECY-JTQLQIEISA-N 314.345 2.307 0 50 DEAA CCN(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1Cl 32497784 DKEQMLPVXRLBCF-UHFFFAOYSA-N 304.799 2.194 0 50 DEAA Cc1oncc1CN1CCN(C(=O)c2c(F)cccc2F)CC1 128483109 PDFKPWPKAUBEKN-UHFFFAOYSA-N 321.327 2.219 0 50 DEAA CCn1c(C)cc(C(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)c1C 331775094 OEJWNYFKKYBWFR-DZGCQCFKSA-N 303.406 2.008 0 50 DEAA Cc1ccn2ncc(C(=O)N[C@H]3CCc4ccccc4OC3)c2n1 367177570 BIGAOOHPAKZTOZ-AWEZNQCLSA-N 322.368 2.161 0 50 DEAA C[C@H]1CN(C(=O)c2ccc(F)cc2O)CCN1CC(F)(F)F 156012587 KBGKHHPCAQXAMQ-VIFPVBQESA-N 320.286 2.240 0 50 DEAA Cc1cc(-n2cncn2)ccc1-c1nc(C2(N)CCCC2)no1 261775315 NLUZVWGCGFSZOE-UHFFFAOYSA-N 310.361 2.354 0 50 DEAA O=C(O)CCN(C(=O)c1ccc(Cl)o1)C1CCOCC1 238074587 YHYZGROCKMWRES-UHFFFAOYSA-N 301.726 2.029 0 50 DEAA CC(C)c1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)no1 157120042 OZOYBCXVYMOKCN-UHFFFAOYSA-N 311.345 2.309 0 50 DEAA O=C(CCc1ccco1)N1CC[C@](O)(c2ccc(F)cc2)C1 373180318 TXZYTZQLGQDAFU-QGZVFWFLSA-N 303.333 2.471 0 50 DEAA C[C@@H]1C[C@@H](C(=O)NCCN2c3ccccc3C[C@H]2C)CCO1 239367090 AHJRAVABEZNNIK-FMKPAKJESA-N 302.418 2.369 0 50 DEAA Cc1cccc(OCCN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1 337249947 JRUZWASVIHPTSD-RCCFBDPRSA-N 305.418 2.236 0 50 DEAA CC(C)[C@H](NC(=O)CN1CCN(C)C[C@H]1C)c1cccs1 241287131 LKEGPJMBZLPZAP-CJNGLKHVSA-N 309.479 2.197 0 50 DEAA COc1ccc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)cc1 40268493 JTNGCOKHGKNTND-UHFFFAOYSA-N 303.343 2.372 0 50 DEAA CNc1ncc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cn1 426409282 HSZCQOBNYHWRID-OAHLLOKOSA-N 310.401 2.784 0 50 DEAA NCc1nnc(SC[C@@H]2CCCO2)n1-c1ccc(F)cc1 426474153 GEMLVWJDISYCRB-LBPRGKRZSA-N 308.382 2.136 0 50 DEAA CC(C)N(CC1CC1)C(=O)Cn1cc(Br)cn1 615797860 DOJTZQIPILVIPA-UHFFFAOYSA-N 300.200 2.293 0 50 DEAA CNC[C@H]1CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)C1 179011661 MVTNRLGYVYJQER-CYBMUJFWSA-N 306.406 2.164 0 50 DEAA CC(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2=O)C1 426649628 LSMGGAWGCQSTQJ-LJQANCHMSA-N 314.429 2.480 0 50 DEAA Fc1ccc(-c2n[nH]cc2CN2C[C@@H]3CC[C@H]2CNC3)cc1 97716914 QJGNJFWYJSTPCP-WBMJQRKESA-N 300.381 2.400 0 50 DEAA O=C(NCCNc1cccnc1)c1cn2cc(Cl)ccc2n1 97681937 DJCPSYPKTARMJO-UHFFFAOYSA-N 315.764 2.225 0 50 DEAA Nc1nc(CCC(=O)NC[C@@H]2COc3ccccc3C2)cs1 97743644 VDZYGTMRHMUYQO-LLVKDONJSA-N 317.414 2.025 0 50 DEAA CCn1nc(C)c(CN(CCOC)C(=O)c2ncoc2C)c1C 97468200 CAQYWANSOHETAY-UHFFFAOYSA-N 320.393 2.105 0 50 DEAA N[C@H]1CCN(C(=O)c2cccnc2Nc2cccc(F)c2)C1 237844750 VFXDFFOZCUWNAS-LBPRGKRZSA-N 300.337 2.138 0 50 DEAA C[C@@H](NC(=O)Nc1ccnnc1)[C@@H]1OCCc2sccc21 297499720 VXLROCZIPNICPI-RNCFNFMXSA-N 304.375 2.362 0 50 DEAA Cc1cc(=O)n(CCN2CCC[C@@H]2c2ccccc2C)c(O)n1 253536678 KJUHUKPLMSTZHY-MRXNPFEDSA-N 313.401 2.403 0 50 DEAA Cn1ccnc1[C@H](NC(=O)Cc1n[nH]c2ccccc12)C1CC1 534670888 VYZSSCDUZCWYAR-MRXNPFEDSA-N 309.373 2.106 0 50 DEAA O=C(NC[C@H](CO)Cc1ccco1)N1CCc2ccccc2C1 573757850 RPULMWYBCBLENE-CQSZACIVSA-N 314.385 2.199 0 50 DEAA C[C@H]1CCc2c(sc3nc(-c4cc(N)ncn4)nc(O)c23)C1 585137144 KEDAIJDHQPFYAL-ZETCQYMHSA-N 313.386 2.561 0 50 DEAA CC1=NO[C@@H](C(=O)NCC2CCN(Cc3ccc(C)o3)CC2)C1 584901428 VHDDTEQOLZGUFA-MRXNPFEDSA-N 319.405 2.081 0 50 DEAA Nc1ccc(C(=O)NCC2(N3CCCCC3)CCCC2)cn1 584899976 RESMRKDCKCJZPR-UHFFFAOYSA-N 302.422 2.192 0 50 DEAA C[C@@H](NC1[C@H]2CC3C[C@H]1CC(F)(C3)C2)C(=O)NC[C@@H]1CCCO1 952884047 SJTXXCIGLUUJOG-RIKGKUJMSA-N 324.440 2.177 0 50 DEAA CCOc1cccnc1N1CCN(C[C@@H]2CCO[C@@H](C)C2)CC1 952884003 QWOXUWSZLRWHTD-JKSUJKDBSA-N 319.449 2.417 0 50 DEAA Cc1ccnc(CN2CCc3nnc(-c4ccncc4)cc3C2)n1 952894518 NOZMYJOBHMUBPN-UHFFFAOYSA-N 318.384 2.195 0 50 DEAA Oc1cc(N2CC[C@](O)(c3cccc(F)c3)C2)c(Cl)nn1 1875288343 XPEMPPVXUOSLNZ-CQSZACIVSA-N 309.728 2.073 0 50 DEAA CC(=O)N1CCC(C(=O)N2CC(C)C2)(c2ccccc2)CC1 1875252610 OEVDRUWNMYXOSZ-UHFFFAOYSA-N 300.402 2.045 0 50 DEAA O=C(O)c1ncoc1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]3CC[C@@H]32)C1 1875313911 XKHDZPPTXVRGKT-USZNOCQGSA-N 304.346 2.125 0 50 DEAA Cc1ncc(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)cn1 952860691 RSCMOFQDHZUXFJ-LLVKDONJSA-N 313.357 2.437 0 50 DEAA CC[C@@H](CO)NCc1sc(Br)c2c1OCCO2 1775992399 RSDFHGZFYIGETQ-ZETCQYMHSA-N 322.224 2.142 0 50 DEAA Cc1nnc(SC[C@H]2CCCN2C(=O)Cc2ccon2)s1 1775993187 CPMDKQPGWXKZNC-LLVKDONJSA-N 324.431 2.160 0 50 DEAA COc1ccc(Cl)c(-n2cc(CN3CCOC[C@H]3C)nn2)c1 899705718 FMBCWNYSKPTMAP-LLVKDONJSA-N 322.796 2.150 0 50 DEAA Cc1cnccc1CC(=O)N1CCO[C@H](c2cccc(O)c2)C1 185866741 OAOSLIIUGVHSLD-KRWDZBQOSA-N 312.369 2.238 0 50 DEAA Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H](C)c1nncn1C)[C@H](C)C2 1477357468 KKXJCOIXZWJDKV-JMSVASOKSA-N 313.405 2.417 0 50 DEAA O=C(O)c1csc(CNC(=O)[C@H]2CCOc3ccccc32)n1 170000623 WQTHLPLGAXEHRD-JTQLQIEISA-N 318.354 2.024 0 50 DEAA Cc1nc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)n(C)n1 170077446 FBVKFUDOKRRTNR-UHFFFAOYSA-N 303.753 2.439 0 50 DEAA C[C@@H]1N(C(=O)CN2CCc3ccccc32)CCC12CCOCC2 170594735 PDDRDMWLFKYXSE-HNNXBMFYSA-N 314.429 2.467 0 50 DEAA CCn1ncc(C(=O)Nc2nc3ccc(F)cc3n2C)c1C 632491553 KRKFFLRPJDLUGO-UHFFFAOYSA-N 301.325 2.490 0 50 DEAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCCc2cn[nH]c2)C1 584907050 BKMRZPUUSRPRMH-GOEBONIOSA-N 306.454 2.359 0 50 DEAA COC(=O)c1ccc(N(C)Cc2nc(-c3ccccc3)c[nH]2)nn1 301652815 GUTKVDFMXWDXIR-UHFFFAOYSA-N 323.356 2.290 0 50 DEAA O=C(Nc1cccc(Cn2cnnc2)c1)c1c(O)cccc1F 225395594 INDSICVNZLTULQ-UHFFFAOYSA-N 312.304 2.423 0 50 DEAA OCCN(Cc1nn(-c2ccccc2)c2c1CCC2)CC(F)F 193406729 WVXDEXMHCFKQPK-UHFFFAOYSA-N 321.371 2.420 0 50 DEAA Cc1cnc([C@H](C)NC(=O)c2ccc(OCC(=O)O)cc2)s1 659759132 BETFCMAIMYOJEB-JTQLQIEISA-N 320.370 2.406 0 50 DEAA Cc1nnc(CN(Cc2ccncc2)C[C@H]2CCCO2)s1 1506400715 XKAGHFHDXBDAOL-CQSZACIVSA-N 304.419 2.423 0 50 DEAA COCCC[C@H]1CCCCN1C(=O)CCN1CCCCC1=O 1506397384 QXABSRHEVLBHNM-OAHLLOKOSA-N 310.438 2.197 0 50 DEAA Cc1c(NC(=O)C2(c3ccccc3)CCN(C)CC2)cnn1C 1506399988 SFYHGWZWHMXYSR-UHFFFAOYSA-N 312.417 2.331 0 50 DEAA Cc1nc(C)c(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)s1 1529141789 PWAYNAITERCVSO-ZIAGYGMSSA-N 317.414 2.142 0 50 DEAA CN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCN(CC(F)(F)F)C1=O 110587736 KMEHVISSCQNLFC-FIQHERPVSA-N 318.339 2.044 0 50 DEAA Cn1cc(CCCNc2ncccc2C(=O)N2CCCC2)cn1 1704340819 MYWZROXTKDAHCP-UHFFFAOYSA-N 313.405 2.096 0 50 DEAA Cc1nc[nH]c1CN(CCO)C(=O)[C@H](C)c1ccc(Cl)cc1 1704305396 VKJBMMGRRATNFS-LLVKDONJSA-N 321.808 2.496 0 50 DEAA CNC(=O)CN1CCC(N[C@@H]2CCCC2=C2CCCC2)CC1 1616038395 SBLTXGOEDHVWEG-QGZVFWFLSA-N 305.466 2.210 0 50 DEAA O=C(CCc1nc(O)c2ccccc2n1)N1Cc2cccnc2C1 1633700412 OFQYAMRXXBJPFV-UHFFFAOYSA-N 320.352 2.205 0 50 DEAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1nccn1Cc1ccccc1 1772703415 LHOYAQMEKAMJEY-NVXWUHKLSA-N 324.428 2.127 0 50 DEAA CS(C)(=O)=NC(=O)NCc1ccc(Br)s1 1776006874 YHMIDZYOKLDXGJ-UHFFFAOYSA-N 311.226 2.448 0 50 DEAA O=C1C[C@@H]2CN(Cc3cc(F)ccc3C(F)(F)F)C[C@@H]2CN1 1775979705 OFDPYAWCLWOERV-KOLCDFICSA-N 316.298 2.412 0 50 DEAA CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 12002332 YUPKTCRCEUTCID-UHFFFAOYSA-N 310.419 2.234 0 50 DEAA NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 16527347 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Cc1ccccc1-n1cc(CN2CCO[C@@H](C(F)F)CC2)nn1 634735054 VIYVDOVPSSCECH-OAHLLOKOSA-N 322.359 2.432 0 50 DEAA Cc1oc(C)c(C(=O)N2CCC[C@@H](c3nnc(N)o3)C2)c1C 636205634 DCLVXFMYCPNXIQ-LLVKDONJSA-N 304.350 2.190 0 50 DEAA Cn1cc(S(=O)(=O)N2CC[C@@H](c3ccccc3)C2(C)C)cn1 332134507 KSKBVVJJOBUCMF-HNNXBMFYSA-N 319.430 2.377 0 50 DEAA NCC(=O)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 237949499 WNIKCQAFXZFKCK-SNVBAGLBSA-N 303.189 2.322 0 50 DEAA c1ccc(-n2ncc3c2CN(c2ncnc4[nH]cnc24)C3)cc1 338833320 ZWLUBGSYLMEYBP-UHFFFAOYSA-N 303.329 2.059 0 50 DEAA NC1CCC(NC(=O)c2ccccc2OC[C@@H]2CCCO2)CC1 131911652 GRWKTXWIHCKZTH-NRXISQOPSA-N 318.417 2.244 0 50 DEAA O=C(NCCc1ccc(C2CCCCC2)cc1)[C@H]1COCCN1 662850028 KZTLCCAHKXWCKO-GOSISDBHSA-N 316.445 2.381 0 50 DEAA O=C(c1ccoc1C1CC1)N1CCC[C@@H](Cn2cncn2)C1 253395127 MKHSPDDJBYVVQJ-GFCCVEGCSA-N 300.362 2.301 0 50 DEAA CS(=O)(=O)NC[C@@H](OCC1CC1)c1ccc(Cl)cc1 390834521 ADVZHTMGZIOXFK-CYBMUJFWSA-N 303.811 2.357 0 50 DEAA COc1cc(C)c(S(=O)(=O)Nc2cnc(C)cn2)cc1C 903655543 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302.733 2.358 0 50 DEAA CC(C)Cn1cncc1CNC(=O)[C@@H]1COc2ccccc2C1 95521873 CXXDKKDXCZMSSH-HNNXBMFYSA-N 313.401 2.407 0 50 DEAA CC1(C)[C@@H](CNC(=O)c2ccnn2C2CCOCC2)C1(F)F 619383757 HUNWKCOQIMYTSR-GFCCVEGCSA-N 313.348 2.256 0 50 DEAA Cc1csc(CCNC(=O)c2cc(CC(C)C)nn2C)n1 91706994 VRUBTBBUDYHXMA-UHFFFAOYSA-N 306.435 2.356 0 50 DEAA Nc1nc(CCC(=O)NC[C@H]2COc3ccccc3C2)cs1 97743645 VDZYGTMRHMUYQO-NSHDSACASA-N 317.414 2.025 0 50 DEAA CSc1ccc([C@H](C(=O)O)N2CCCN(C(C)=O)CC2)cc1 95355976 XFKKGXFGDCTSSP-OAHLLOKOSA-N 322.430 2.088 0 50 DEAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 269184717 MDKOJFJKAZDPCV-KFWWJZLASA-N 303.358 2.087 0 50 DEAA CN(CCC[C@H]1CCCO1)CC(=O)Nc1cccc(C(=O)O)c1 241081855 YRGTXXDFZPTENI-HNNXBMFYSA-N 320.389 2.214 0 50 DEAA O=C(O)c1ccc(CNC(=O)C2(N3CCCC3)CCCCC2)o1 244873456 WQRPVOXUUHDEKY-UHFFFAOYSA-N 320.389 2.393 0 50 DEAA C[C@@H](NC(=O)Cc1ccccn1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 248380721 QZKFZNWXFZLXGO-BYVUDNFTSA-N 314.429 2.460 0 50 DEAA 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COc1ccc(CCNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 282755 SBACHGGZEYMQAB-GJZGRUSLSA-N 305.374 2.245 0 50 DEAA Cc1ccoc1C(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 225391182 FYHHGMXRSAFKLU-GFCCVEGCSA-N 309.312 2.447 0 50 DEAA CC(C)(C)OC(=O)N[C@H](Cc1ccc(F)c(F)c1)C(=O)O 2567672 CYAOPVHXASZUDE-LLVKDONJSA-N 301.289 2.485 0 50 DEAA biogenic,in-vitro CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2c(C)oc(C)c2C)C1 328608709 BBHJIRCELGSBIL-CHWSQXEVSA-N 319.361 2.498 0 50 DEAA CCC[C@H](CCO)NC(=O)N[C@H]1CN(C)Cc2ccccc21 636982712 VVXKFIFCKNINOZ-ZBFHGGJFSA-N 305.422 2.023 0 50 DEAA CC1(C)N(O)[C@@]23CCCCC2=NN[C@@]1(c1ccccc1)N3O 136484466 PBBALQKEGITIEZ-CVEARBPZSA-N 302.378 2.244 0 50 DEAA CCn1nc(C)c(C(=O)Nc2cccc(OCC(=O)O)c2)c1C 262143092 IVGPOMPVBXKBSZ-UHFFFAOYSA-N 317.345 2.236 0 50 DEAA CCC(C)(C)N1CCN(C(=O)Cc2cccc(C(=O)O)c2)CC1 585091363 XNJWABUSLXNZIR-UHFFFAOYSA-N 318.417 2.260 0 50 DEAA CC(=O)N1CCC[C@H](c2noc(-c3onc4c3CCCC4)n2)C1 904013665 MIEXOOYEDJYTAE-NSHDSACASA-N 316.361 2.329 0 50 DEAA CCn1cc(C(=O)N(Cc2ccccc2F)CC2CC2)nn1 825397925 IVXUNLITIBIYPU-UHFFFAOYSA-N 302.353 2.490 0 50 DEAA CCCc1cc(C(=O)N2CCC[C@@H]2c2ccnn2C)cc(O)n1 830101669 LQZFJUBDRHXBJS-OAHLLOKOSA-N 314.389 2.451 0 50 DEAA O=C1Nc2ccc(S(=O)(=O)N3CCCC3)c3cccc1c23 2865846 KTGGEWBZLWBDCL-UHFFFAOYSA-N 302.355 2.190 0 50 DEAA Cc1cc(C)n2nc(C)c(C(=O)Nc3noc(C(C)C)n3)c2n1 2100541126 WXJPFMWYXHGCPH-UHFFFAOYSA-N 314.349 2.413 0 50 DEAA CN(C)CCNc1ncnc2c1cnn2-c1ccc(Cl)cc1 426489 WQGXGQWAEKQCRY-UHFFFAOYSA-N 316.796 2.442 0 50 DEAA CO[C@H]1C[C@@H](CO)N(CCc2cccc(OC(F)(F)F)c2)C1 344726071 SYICTKNCGDZTMC-JSGCOSHPSA-N 319.323 2.209 0 50 DEAA CCCCOCC(=O)N1CCC[C@]2(CCc3cnc(C)nc32)C1 2356144289 QCXJCXVUUBQMBU-SFHVURJKSA-N 317.433 2.408 0 50 DEAA CCCn1ncnc1-c1ccc2nnc([C@@H](O)C(C)C)n2c1 2356161787 JYKBYZOEELMKAA-ZDUSSCGKSA-N 300.366 2.087 0 50 DEAA COc1ccnc(CN2CCC[C@]23CCCN(C(C)C)C3=O)c1 2356166449 YCRXLKRGWOVECC-GOSISDBHSA-N 317.433 2.456 0 50 DEAA CCN1C(=O)C[C@H](Nc2ccc(N3CCCCC3)cc2)C1=O 4317794 XGAKWCRTOSDMIJ-HNNXBMFYSA-N 301.390 2.236 0 50 DEAA COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 101127752 CZWNOIFPSYXNRQ-KBXIAJHMSA-N 323.348 2.175 0 50 DEAA CC(C)[C@H](CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCOCC1 248251508 JBPYAHAYVJDOHQ-QAETUUGQSA-N 308.466 2.286 0 50 DEAA O=C([C@H]1CCOC1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 67805537 DPBRDXDQAKNBAC-WCWCZOKXSA-N 318.461 2.136 0 50 DEAA CCc1c(C)nn(CCNC(=O)c2cc(C3CC3)n[nH]2)c1C 67881659 LEIUAZMPEIOJLI-UHFFFAOYSA-N 301.394 2.093 0 50 DEAA COc1c(F)ccc(C(=O)Nn2c(C)cc(C)cc2=O)c1F 67871812 KEYQCCINLCYWPC-UHFFFAOYSA-N 308.284 2.136 0 50 DEAA CCCc1nc(C(=O)N2CCC[C@]3(CN(C)C(=O)O3)C2)cs1 72163291 KVXQEIOEVIDCEE-HNNXBMFYSA-N 323.418 2.152 0 50 DEAA C[C@@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)N1CCSCC1 151318654 BUXIBCQSKIAMMQ-GOEBONIOSA-N 320.458 2.024 0 50 DEAA Cc1cccc(NC2CCN(C(=O)c3ccc(O)nn3)CC2)c1 332093432 ATLZEXPCGWQKDL-UHFFFAOYSA-N 312.373 2.207 0 50 DEAA Cc1c(NC(=S)Nc2ccc3c(c2)OCCO3)cnn1C 6399524 FNEFONIALLJYTG-UHFFFAOYSA-N 304.375 2.309 0 50 DEAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(Cc2ccc(Cl)cc2)CC1 284486388 HCCOYHSPDKQATB-JKSUJKDBSA-N 322.836 2.442 0 50 DEAA CC(C)Cc1nc(=NCc2nc(O)c3ccccc3n2)s[nH]1 328593753 DZXOEIWVHARLKT-UHFFFAOYSA-N 315.402 2.419 0 50 DEAA CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2CCO)C1 328597987 JZDTULJFKHDDJW-CABCVRRESA-N 312.454 2.480 0 50 DEAA CCn1cnnc1[C@@H]1CN(CCO[C@@H]2CCCC[C@@H]2C)CCO1 328621419 ALBGLEIUYRGSEN-XHSDSOJGSA-N 322.453 2.267 0 50 DEAA Cc1cccnc1C1(CN[C@@H](C)C2CCS(=O)(=O)CC2)CC1 368292170 UOGGOSYNXVGSGT-AWEZNQCLSA-N 322.474 2.225 0 50 DEAA O=C([C@H]1CCc2n[nH]cc2C1)N1CC(Cc2ccccc2F)C1 372879667 JDDNSUXBDVWRIB-AWEZNQCLSA-N 313.376 2.355 0 50 DEAA CCCc1ncc(C(=O)NCCC(=O)Nc2ccccn2)s1 607898129 SDINULWQXXVUEP-UHFFFAOYSA-N 318.402 2.249 0 50 DEAA Cc1noc([C@H]2CCN(C(=O)N[C@@H](C)c3ncc(C)s3)C2)n1 332793576 NWJIUIXNFMLLMQ-ONGXEEELSA-N 321.406 2.403 0 50 DEAA C[C@H](CN1CCN(C)CC1)NC(=O)/C=C1/CCCCC1(C)C 127252101 ZAZGWTGWTXCFSJ-NWCRWOLESA-N 307.482 2.265 0 50 DEAA O=S(=O)(Cc1c(F)cccc1Cl)N[C@@H]1CCCOCC1 333408823 JXEMITIDXINTAE-SNVBAGLBSA-N 321.801 2.468 0 50 DEAA O=C(C1CC1)N1CCC(Oc2cccc(F)c2)(C(=O)O)CC1 72462564 JTLXCUTYYYGNEH-UHFFFAOYSA-N 307.321 2.060 0 50 DEAA CCN(Cc1ccc2[nH]ccc2c1)S(=O)(=O)C[C@H]1CCOC1 241739171 RARVRKALPQMDSW-AWEZNQCLSA-N 322.430 2.356 0 50 DEAA CC(C)N1CCC(CN2CCN(c3ccccc3)C(=O)C2)CC1 82139475 GQVGWUORXRMWLE-UHFFFAOYSA-N 315.461 2.456 0 50 DEAA COc1cccc2c1NC(=O)C[C@H]2C(=O)N1CC=C(C)CC1 426724030 SSOYRZNSAKOYEB-CYBMUJFWSA-N 300.358 2.300 0 50 DEAA Cc1csc([C@@H](C)NC(=O)c2cc(C)c(C)n(C)c2=O)n1 426434450 JBAARKPQGIYWHX-SNVBAGLBSA-N 305.403 2.258 0 50 DEAA CCCc1nc(C)c(CNC(=O)c2n[nH]c3c2COCC3)s1 426715842 IDSBGXZRWDRZSW-UHFFFAOYSA-N 320.418 2.130 0 50 DEAA Cn1ncc(C(=O)N[C@H]2CCOc3ccc(F)cc32)c1Cl 294776208 ZNCRPEWKTIYQLG-NSHDSACASA-N 309.728 2.466 0 50 DEAA CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239306035 GIGSGDYORBGHQR-OVYBAWALSA-N 323.348 2.169 0 50 DEAA c1[nH]nc(C2CCCCC2)c1-c1nc(CN2CCOCC2)no1 95359405 RREIGCMXDQDGOA-UHFFFAOYSA-N 317.393 2.340 0 50 DEAA O=C1[C@H]2CC[C@H](CN(c3nccs3)C2)N1Cc1ccccn1 91586567 ZZDYTLOCBAVJQJ-GXTWGEPZSA-N 314.414 2.166 0 50 DEAA CCc1ncc(C(=O)NCCN2CCCc3ccccc32)cn1 95372219 FNKDAVPSGKYRGZ-UHFFFAOYSA-N 310.401 2.222 0 50 DEAA Cc1c[nH]c(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 244795471 RGXRQJUCGLIQQF-OAHLLOKOSA-N 316.380 2.252 0 50 DEAA Cc1cccc([C@@H](CNC(=O)CCCn2cccn2)N(C)C)c1 534575308 QSCXRNNQFOLTOC-QGZVFWFLSA-N 314.433 2.391 0 50 DEAA O=C(C[C@@H]1CCOC1)N1CCCN(Cc2ccc(F)cc2)CC1 377780521 MKWADIWRCZCQKB-INIZCTEOSA-N 320.408 2.287 0 50 DEAA Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc3ccn(C)c3n2)n1 1940195622 SEUDOHPHZTZNPR-LBPRGKRZSA-N 311.389 2.205 0 50 DEAA O=C(NCCc1nc(C2CC2)no1)c1cccc2c1NCCC2 584887190 DCMAMEPISFXCMD-UHFFFAOYSA-N 312.373 2.278 0 50 DEAA CC(C)C1=NO[C@@H](C(=O)N2CCN(CC3CCCC3)CC2)C1 584889546 WCUWMWGXPVIVBE-MRXNPFEDSA-N 307.438 2.122 0 50 DEAA CCc1nc(CNC(=O)C[C@H]2NC(=O)c3ccccc32)cs1 584896967 SMGXXDLJAMCNNS-CYBMUJFWSA-N 315.398 2.197 0 50 DEAA Cc1nn(C)c(C)c1C(=O)Nc1cccc(-c2nnc(C)n2C)c1 269395919 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50 DEAA COc1cc2c(cc1OC)CN(C[C@H](O)COC(C)(C)C)CC2 7636333 WLWUMCPGAXLLST-HNNXBMFYSA-N 323.433 2.238 0 50 DEAA O=C(c1cc(Cn2cnc3ccccc32)[nH]n1)N1C[C@H]2CC[C@H]1C2 102042746 DTLUGSLCSSKIBO-JSGCOSHPSA-N 321.384 2.432 0 50 DEAA CCN1CC[C@@H](N(C)CC(=O)NCc2ccc(C)s2)C[C@H]1C 247988259 ZSJRLANZGISHGH-UKRRQHHQSA-N 323.506 2.477 0 50 DEAA CN1CCC[C@H]2CN(C(=O)COc3ccccc3F)CC[C@H]21 247928227 BUNUKBFSJQYPMI-DZGCQCFKSA-N 306.381 2.147 0 50 DEAA CC(C)N1CCC[C@H](N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)C1=O 248754149 PDRWNGYVYJBXLZ-QPSCCSFWSA-N 308.422 2.104 0 50 DEAA C[C@@H]1CNC(=O)CCN1C(=O)CC12CC3CC(CC(C3)C1)C2 55252343 JAFLFIJYUMRRIR-QLFDAEIZSA-N 304.434 2.330 0 50 DEAA Cn1ccnc1SCCNC(=O)CCN1CCCCCCC1 63832809 XSRWSQVFYYWYES-UHFFFAOYSA-N 324.494 2.285 0 50 DEAA CCc1cccc(-n2c(CCc3c(C)n[nH]c3C)n[nH]c2=O)c1 67692772 OPHZZFWUBROBAJ-UHFFFAOYSA-N 311.389 2.248 0 50 DEAA CN1CCC(N2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 23339630 UBJPOCTVBOYBGY-QGZVFWFLSA-N 315.461 2.109 0 50 DEAA Cc1ccnc(NCCNC(=O)c2cc(=O)c3ccccc3o2)c1 67587713 CFMYSYROUKMFAI-UHFFFAOYSA-N 323.352 2.338 0 50 DEAA Cn1cncc1[C@@H]1C[C@H](N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCO1 328655430 YKHXFAKGCOLNCY-IVCRCZCHSA-N 305.422 2.043 0 50 DEAA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1cnc(C2CC2)s1 328621771 ATWQTZXASDCCHC-STQMWFEESA-N 304.419 2.374 0 50 DEAA Cc1n[nH]cc1CNC[C@H]1CCc2nc(C(F)(F)F)cn2C1 328625486 DERFTJTVEWCIOS-SNVBAGLBSA-N 313.327 2.286 0 50 DEAA Cc1noc([C@@H]2CC[C@H](CN=c3nc(C(C)C)[nH]s3)O2)n1 328608806 BGXIOKMSQKAKNP-ZJUUUORDSA-N 309.395 2.107 0 50 DEAA Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cccnc2)c1 253599570 ODJGYTZHVCOXLM-ULQDDVLXSA-N 310.401 2.381 0 50 DEAA O=C(NCCc1nc2ccccc2[nH]1)c1ccc2c(c1)OCO2 4625319 DABQXVUFNZIISY-UHFFFAOYSA-N 309.325 2.264 0 50 DEAA CCCc1cc(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)[nH]n1 153451212 CECWMZXANXQAGR-GFCCVEGCSA-N 324.388 2.434 0 50 DEAA CCC1(CC)CN(C(=O)CNS(=O)(=O)CC)c2ccccc21 330487934 HJLVBOOIMXZDCM-UHFFFAOYSA-N 324.446 2.030 0 50 DEAA Cc1ccn(-c2ccccc2CNS(=O)(=O)C2(C)CC2)n1 333404926 JGGOIEWWNJDEPQ-UHFFFAOYSA-N 305.403 2.153 0 50 DEAA O=C(CC1(O)CCCC1)NC[C@H]1CCN(c2ccccc2F)C1 366089076 MELNUNSOTCRUDG-CQSZACIVSA-N 320.408 2.463 0 50 DEAA O=C(COc1cc(F)cc(F)c1)N1CCCCC[C@H]1CCO 488369751 PRWMYFAMYGDMCO-AWEZNQCLSA-N 313.344 2.497 0 50 DEAA Cc1cc(C)n(C[C@@H]2CCCCN2c2ccc(C(N)=O)cn2)n1 367138017 FKCUNXKFDYGFOW-HNNXBMFYSA-N 313.405 2.053 0 50 DEAA Cc1nc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)O)cs1 237711189 SSPLWCHCAHRIMQ-AWEZNQCLSA-N 316.382 2.032 0 50 DEAA NC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cccc2cc[nH]c12 369725589 NIGTUXIUXCMYGX-KRWDZBQOSA-N 319.364 2.393 0 50 DEAA Cc1cc(C(=O)NCc2c(C)ncc3c2CCNC3)ccc1F 72422545 UDDKUGQPPBVKPR-UHFFFAOYSA-N 313.376 2.413 0 50 DEAA Cc1cc2c(cc1C)[C@@H](N(Cc1nnnn1C)C1CC1)CCO2 373018379 AWBGNBVWXMGDDZ-HNNXBMFYSA-N 313.405 2.315 0 50 DEAA CC(C)CCN1CC2(CCN([C@H]3CCCOC3)CC2)OC1=O 72408350 QZDUUSZZLUMRLE-HNNXBMFYSA-N 310.438 2.498 0 50 DEAA COC(=O)[C@]1(C)CCCN1CCC(=O)c1ccc(OC)cc1 285438542 XAAREJSHBUDLEQ-KRWDZBQOSA-N 305.374 2.296 0 50 DEAA COc1cc(C)nc(NC(=O)c2ccn(-c3ccccc3)n2)n1 342411239 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O=C(c1cccc2c1CCCC2)N1CCO[C@@]2(CCOC2)C1 294906905 FIVJSUXBEZJHBB-SFHVURJKSA-N 301.386 2.197 0 50 DEAA O=C1N(CC2CCC2)CCC[C@]12CCN(Cc1ncccn1)C2 91848863 ZGIISGMWJJWPDQ-GOSISDBHSA-N 314.433 2.091 0 50 DEAA COc1ccc(-c2nccc(N3CCC(O)CC3)n2)cc1F 97370571 QFCZEYYTPMPSLV-UHFFFAOYSA-N 303.337 2.252 0 50 DEAA Cc1ccccc1[C@H]1CN(C(=O)C2CCNCC2)[C@@H](C)CO1 237700862 RIXVUUNOKCOAHQ-WMLDXEAASA-N 302.418 2.283 0 50 DEAA CSc1cccc(CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c1 91915088 KVTFPROJFQUCPV-GFCCVEGCSA-N 304.415 2.036 0 50 DEAA CC[C@H]1C(=O)NCCN1C(=O)Nc1c(F)cc(Cl)cc1F 182892874 AJADXUQRXHJIGV-JTQLQIEISA-N 317.723 2.361 0 50 DEAA CN(CCSc1ccccc1)CC(=O)NC[C@H]1CCCO1 252497062 PYCLREQCSMFNFH-CQSZACIVSA-N 308.447 2.006 0 50 DEAA CCOc1cc2c(cc1CNC(=O)[C@@H]1CC[C@H](N)C1)O[C@H](C)C2 269215642 VFKBEAHMXZEKOT-JMSVASOKSA-N 318.417 2.152 0 50 DEAA O=C(NC[C@H]1COc2ccccc2O1)c1cccc2c1COC2 1940197789 QSUKZEVFTJFUPJ-ZDUSSCGKSA-N 311.337 2.287 0 50 DEAA CC(C)c1nc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2N)cs1 299784058 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320.433 2.216 0 50 DEAA C[C@H](c1nnnn1C)N1CCC[C@H]1c1cccc(N(C)C)c1 249270590 JAWJNJQCQHJFOP-DOMZBBRYSA-N 300.410 2.174 0 50 DEAA CC(=O)N1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 20781065 CMMLFWFZCBWKLI-UHFFFAOYSA-N 320.780 2.054 0 50 DEAA CC1(C)CNC(=O)c2nc(-c3cn4ccsc4n3)[nH]c2C1 65398858 VEXGICPBTMNKHM-UHFFFAOYSA-N 301.375 2.098 0 50 DEAA CN(C)c1ncccc1CNC(=O)c1cccc2c1NCCC2 67955061 CJSYTEODTJKRFM-UHFFFAOYSA-N 310.401 2.436 0 50 DEAA CC[C@@H](c1cccnc1)N(C)Cc1cn(C2CCNCC2)nn1 23159315 CUXJBKVILKOFGB-KRWDZBQOSA-N 314.437 2.181 0 50 DEAA Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(NCCO)n1 20454440 PHQVEUDSWBACJT-UHFFFAOYSA-N 309.373 2.350 0 50 DEAA Cc1nc([C@@H]2CCCN2C(=O)COc2ccc(C)c(C)c2)n[nH]1 221439889 XMHPQQFVLGICMO-HNNXBMFYSA-N 314.389 2.472 0 50 DEAA CC(C)Oc1ccc([C@H](O)CNC(=O)CN2CCC[C@@H]2C)cc1 229888531 ZVLHZHHWEIBEHO-WMLDXEAASA-N 320.433 2.108 0 50 DEAA CO[C@]1(C)C[C@H](N(C)C(=O)N[C@H]2CCN(CC3CC3)C2)C1(C)C 253370263 OKUIXNRNXYQTIE-RLFYNMQTSA-N 323.481 2.316 0 50 DEAA CCNc1cc(NCCNC(=O)c2ccc(C)cc2)nc(C)n1 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318.343 2.375 0 50 DEAA C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H]1C1CC1 453037114 PBFQDPOBEOVFEM-YGRLFVJLSA-N 306.793 2.469 0 50 DEAA CNC(=O)C[C@H](C)N(C)C(=O)c1oc2cc(OC)ccc2c1C 216540962 QKBPKULCWWDXOX-JTQLQIEISA-N 318.373 2.346 0 50 DEAA C[C@@H](NS(=O)(=O)c1c(F)cccc1Cl)[C@@H]1CCCO1 131108622 VZDBYOFONONCBA-KCJUWKMLSA-N 307.774 2.325 0 50 DEAA CCc1oc(C(=O)N2CCN(CC3CCOCC3)CC2)cc1C 177568453 SSJFCNIJBNFJAF-UHFFFAOYSA-N 320.433 2.335 0 50 DEAA Cc1ccc(OC[C@H](O)CNC(=O)NC(C2CC2)C2CC2)cc1 426678111 NPGPACGETVSOSB-OAHLLOKOSA-N 318.417 2.223 0 50 DEAA O=C(c1cc2c(Cl)cccc2[nH]1)N1CCN2C(=O)OC[C@H]2C1 426440440 YFAYCVXUWIUTLH-SECBINFHSA-N 319.748 2.098 0 50 DEAA O=C(N[C@@H]1CCOC[C@H]1O)c1cc(C(F)(F)F)ccc1Cl 223385570 NZPCQRKHQXKNET-GHMZBOCLSA-N 323.698 2.238 0 50 DEAA Cc1cc(Cl)ccc1C(=O)N1CCN(C[C@@H]2CCOC2)CC1 178776256 JLVIFPTXKNOYEN-AWEZNQCLSA-N 322.836 2.443 0 50 DEAA O=C(CCCc1cn[nH]c1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 223961017 OIASAIQMPUFEFA-HPBDAGMYSA-N 317.433 2.442 0 50 DEAA 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CC(C)Cc1cc(NS(=O)(=O)c2cnn3ccccc23)n[nH]1 952881616 BJQRCJZOPSZRNN-UHFFFAOYSA-N 319.390 2.057 0 50 DEAA C[C@H](NCc1cnn2c1CN(C)CC2)c1ccncc1Cl 952889749 LMSAKCCCNHGJEP-NSHDSACASA-N 305.813 2.228 0 50 DEAA Cc1ccoc1C(=O)N1CCCC[C@H]1c1n[nH]cc1C(=O)O 952890681 YAOHERFNAYJMNQ-NSHDSACASA-N 303.318 2.377 0 50 DEAA Cc1cc(CN(C)S(=O)(=O)c2ccc(C(C)(C)C)nc2)no1 1875288639 RKYINRINMANCCX-UHFFFAOYSA-N 323.418 2.496 0 50 DEAA CNC[C@H](O)CN(C)C(=O)c1ccccc1Nc1ccccc1 888096733 OKFQYRFDWLXLEL-HNNXBMFYSA-N 313.401 2.083 0 50 DEAA CNC(=O)NC1CCN(Cc2ccc(CC(C)C)nc2)CC1 894934032 NPMVLMZBHRBKJA-UHFFFAOYSA-N 304.438 2.174 0 50 DEAA Cc1cc(CNc2nc(C3CCOCC3)ns2)cc(O)n1 894238899 KJMBEDRRKVEZTE-UHFFFAOYSA-N 306.391 2.453 0 50 DEAA Cn1ccnc1[C@@H]1CCCN(c2nccnc2Br)C1 1775991549 KUDUBYQKWLXXNH-SNVBAGLBSA-N 322.210 2.357 0 50 DEAA Cc1ccc(OCC(=O)N2CC[C@](O)(C3CC3)[C@@H](C)C2)cc1 1565528307 CAMXGFJCRZZJKY-KBXCAEBGSA-N 303.402 2.383 0 50 DEAA CCCNc1ncc(CN2C[C@H](C(=O)O)[C@@H](C(C)C)C2)cn1 1565525407 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CC[C@H](NC(=O)c1cc(C(C)C)nc(N)n1)c1ncc(C)[nH]1 1506400583 WIKLOIKJMCPFDU-JTQLQIEISA-N 302.382 2.095 0 50 DEAA O[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1Cc1cnccn1 1529167740 NJGWDTCOTSHWQE-CZUORRHYSA-N 303.793 2.165 0 50 DEAA C[C@H](c1ccccc1)n1nccc1NC(=O)c1coc(CN)n1 1529101776 MHZVAAXNNJJBMQ-LLVKDONJSA-N 311.345 2.191 0 50 DEAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cnoc1C)C2 212468912 ZPUGMEDFCIIAKC-GJZGRUSLSA-N 303.406 2.486 0 50 DEAA COc1cccc(CN(C)C(=O)[C@H]2CCc3ccccc3O2)n1 1615050069 JXQFELAHHCEKPQ-MRXNPFEDSA-N 312.369 2.442 0 50 DEAA O=C(Cc1ccc2nc(O)[nH]c2c1)NC[C@H]1CCCC1(F)F 1615627408 YKVKQZJSGCHINF-SNVBAGLBSA-N 309.316 2.363 0 50 DEAA CN(C)CC(=O)N[C@@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 12591402 QTIHKEKALCAHGY-CYBMUJFWSA-N 318.465 2.465 0 50 DEAA COc1ccc(C[C@H]2CN(C(=O)c3ocnc3C)CCO2)cc1 12591537 BQURYQOJRPKLLE-HNNXBMFYSA-N 316.357 2.075 0 50 DEAA CCCc1ccc(OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1 13302733 JZFMLXLIAOALDI-YQQAZPJKSA-N 307.434 2.488 0 50 DEAA COc1cccc(-c2cnnc(N[C@@H](C)c3cnn(C)c3)n2)c1 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COc1ccccc1N1CCC(N2[C@H]3CC[C@@H]2CCNC3)CC1 65370560 JYRMLDDWMFKRIX-WBVHZDCISA-N 315.461 2.490 0 50 DEAA O=C(O)c1ccc(-c2nccn2-c2cnn3cccnc23)s1 67789885 KULZUZXFUALASS-UHFFFAOYSA-N 311.326 2.342 0 50 DEAA COc1ccc2cc(C(=O)NCc3csc(N)n3)n(C)c2c1 65527721 AOVXGFQZZCMRCT-UHFFFAOYSA-N 316.386 2.156 0 50 DEAA CCc1nnc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)o1 328656740 ZQKDATXJWFAJLA-YOEHRIQHSA-N 315.421 2.152 0 50 DEAA CCn1c(C)cc(C(=O)N2CCO[C@H](c3nnc(C)o3)C2)c1C 328612031 NMTFZBLCPWMYNF-AWEZNQCLSA-N 318.377 2.030 0 50 DEAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N1CCC(F)CC1)C2 67691501 APADFRNJPXYTBF-GFCCVEGCSA-N 309.385 2.283 0 50 DEAA CC(C)c1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)nn1C 173412668 IMAPDVCXYQPWDZ-UHFFFAOYSA-N 324.388 2.054 0 50 DEAA CC[C@@H]1CC[C@H](C)N(C(=O)c2cn(C)nc2-c2cnn(C)c2)C1 333471484 FXUCOQRLALHESP-QWHCGFSZSA-N 315.421 2.471 0 50 DEAA CCCC[C@@H]1C(=O)N(C)CCN1Cc1ccc(NC(C)=O)cc1 215932438 GVSOZBYHOBKNDK-QGZVFWFLSA-N 317.433 2.478 0 50 DEAA C[C@H]1CN(C(=O)c2csc(CN)n2)C[C@H](c2ccccc2)O1 237529236 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DEAA CC[C@H]1c2cccn2CCN1C(=O)c1ccc2nc(O)[nH]c2n1 1775959068 FLPVUYHSJBDISZ-LBPRGKRZSA-N 311.345 2.072 0 50 DEAA CCCOC(=O)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 1414334926 JGINHPXUQYUXFC-SECBINFHSA-N 320.315 2.381 0 50 DEAA CCc1cccnc1C(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1 271185077 FCGKUZRTLLWLPT-YPENRWOSSA-N 308.447 2.454 0 50 DEAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)Cc2ccccc2F)C1 393334849 WOOBSRVBPLKHEZ-CMPLNLGQSA-N 304.287 2.249 0 50 DEAA NC(=O)c1cc(-c2csc(NC(=O)[C@H]3CC34CCC4)n2)c[nH]1 675322679 XMWBPOFGBNABEF-SECBINFHSA-N 316.386 2.366 0 50 DEAA Cc1cc(NCC2(CN3CCOCC3)CCCCC2)ncn1 301596017 WBJXMGMJKVUDNW-UHFFFAOYSA-N 304.438 2.480 0 50 DEAA Cn1nccc1C(=O)NCCCc1nc2c(s1)CCCC2 171346933 WTFXQTNMNBBFAO-UHFFFAOYSA-N 304.419 2.118 0 50 DEAA NS(=O)(=O)CCCSc1ccccc1Br 171552344 JLHKLXMTUORKGP-UHFFFAOYSA-N 310.238 2.220 0 50 DEAA C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc2c1CCOC2 634315592 OQTOTPQUJLCGEK-ZIAGYGMSSA-N 302.418 2.248 0 50 DEAA Cc1cc(S(=O)(=O)Nc2n[nH]c(C(F)F)n2)sc1C 585128531 DVONPRUIKBPFLF-UHFFFAOYSA-N 308.335 2.221 0 50 DEAA C[C@H](C(=O)Nc1cccc(Cl)c1)N1CC[C@@H](n2ccnn2)C1 639711629 PSRFEXCQQOMDFY-BXUZGUMPSA-N 319.796 2.206 0 50 DEAA CNC(=O)[C@@H](NC(=O)Cc1cccc(Cl)c1Cl)C(C)C 194379948 KGBBVJVBKFIOKN-ZDUSSCGKSA-N 317.216 2.423 0 50 DEAA Cc1ccn(CC(=O)N[C@H]2CCCOc3ccccc32)c(=O)c1 194513729 YSFSZEQOTRUIBK-HNNXBMFYSA-N 312.369 2.187 0 50 DEAA O=C(O)C1CCN(C(=O)NC2CCc3ccccc3CC2)CC1 666551005 UUIDIFUKEAPYFE-UHFFFAOYSA-N 316.401 2.440 0 50 DEAA O=C(c1ncoc1-c1ccccc1Cl)N1C[C@@H]2C[C@@]2(CO)C1 783824564 UKZUNKVQOFRXHS-QFYYESIMSA-N 318.760 2.449 0 50 DEAA C[C@@H](CC(=O)N(C)Cc1ccc2nsnc2c1)n1cccn1 1506408380 XVFHHYXNRAIZTQ-NSHDSACASA-N 315.402 2.498 0 50 DEAA CN(C)c1nccnc1NC1CCN(Cc2cccnc2)CC1 1529112280 IQHFJJJADUWLGJ-UHFFFAOYSA-N 312.421 2.014 0 50 DEAA O=C([C@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1)N1CCCC1 110584972 RTIQGDKDZGQTSE-VGWMRTNUSA-N 304.434 2.284 0 50 DEAA COc1ccc(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cc1F 1615001149 MXVWIAKTKKCNNT-CRAIPNDOSA-N 314.360 2.118 0 50 DEAA COc1ccc(F)c(CN2CCN3[C@H](COC[C@H]3C3CC3)C2)c1 1616080373 MTSURQAKSFRBSP-YJBOKZPZSA-N 320.408 2.129 0 50 DEAA O=C(CC1CCCCC1)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616068432 CJJISBSBISMELX-RDJZCZTQSA-N 302.418 2.414 0 50 DEAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cccn1 11614092 RIEFJKNIUHTQDT-UHFFFAOYSA-N 300.767 2.481 0 50 DEAA Cc1cc(N2CCN(c3ccccc3)CC2)c(C(N)=O)c(C)n1 19117306 SDJGIYZSRNIJOF-UHFFFAOYSA-N 310.401 2.124 0 50 DEAA O=C1[C@H](N[C@@H]2CCC[C@@H]3OCC[C@H]32)CCN1c1ccccc1 230128750 FMGPWVVGYAXRFL-HZMVEIRTSA-N 300.402 2.339 0 50 DEAA O=C(c1ccncc1F)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225681324 YRGQNJUZCZFWCV-WFASDCNBSA-N 304.296 2.308 0 50 DEAA CC(C)(C)OC(=O)N1CCN(c2ccccc2C(=O)O)CC1 2527256 SSBZXKJSOFJQBW-UHFFFAOYSA-N 306.362 2.442 0 50 DEAA in-vitro CNC[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(F)cc1Cl 237238701 AGVCBUXHGLHHMG-ZYHUDNBSSA-N 314.788 2.457 0 50 DEAA C[C@@H]1CC[C@@H](CCC(=O)N[C@H](Cc2ccccc2)C(=O)O)O1 237379780 TXZNYCBOKXQUNA-VHDGCEQUSA-N 305.374 2.146 0 50 DEAA CC(C)(C)OC[C@@H](O)CN1CCN(c2ccccc2F)CC1 20725620 UKCFXVGANNMLEC-AWEZNQCLSA-N 310.413 2.124 0 50 DEAA CCCN(CC(=O)O)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O 364177966 BXJBVEIJMDAVBC-OAHLLOKOSA-N 322.380 2.426 0 50 DEAA Fc1nc(F)c(F)c(N2CCOC[C@H]2[C@@H]2CCCO2)c1F 804802500 GVBKCCRXXYPXMV-YUMQZZPRSA-N 306.259 2.022 0 50 DEAA Cc1cc(C(=O)N2CCC[C@H]2c2cn(C)nc2C)oc1C(=O)O 911584366 QCIGGERALJYRBG-LBPRGKRZSA-N 317.345 2.305 0 50 DEAA N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2C2CC2)S1 2325794643 LFKMKJNANMWNDV-LLVKDONJSA-N 307.350 2.198 0 50 DEAA CCCOC1(C(=O)NC[C@@H]2CC3(CCCC3)CO2)CCNCC1 2325814080 QMDDHHSPRUBSTD-HNNXBMFYSA-N 324.465 2.001 0 50 DEAA COC(=O)c1cccc(NCN2C(=O)c3ccccc3C2=O)c1 47669 HUYMAOSOJRPMOJ-UHFFFAOYSA-N 310.309 2.139 0 50 DEAA Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)nc1 472499 JLEOCVMUQJQHFE-NSHDSACASA-N 309.325 2.013 0 50 DEAA CO[C@@H](C)c1n[nH]c(=Nc2ccc3ncnc(O)c3c2)s1 2356143129 WBKYDUWOGNDADZ-ZETCQYMHSA-N 303.347 2.060 0 50 DEAA COC(=O)[C@@H](CCSC)NC(=O)c1ccc(Cl)cc1 2860038 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COc1cccc2c1OCCCN(C(=O)NC1CCOCC1)C2 426490237 RPHPVZYZHZIECA-UHFFFAOYSA-N 320.389 2.168 0 50 DEAA Cn1c(SCc2cc(C3CC3)on2)nnc1C1CCNCC1 426621786 RVZDBFACOPAYBT-UHFFFAOYSA-N 319.434 2.440 0 50 DEAA Cc1cc(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)c(C)o1 94102420 XUFDCILEOXICMM-CQSZACIVSA-N 314.389 2.333 0 50 DEAA COc1cc(C)c(CN(C)C(=O)[C@H]2CCC[C@@H]2N)cc1OC 237284668 CIAIVGHISMRERH-KBPBESRZSA-N 306.406 2.098 0 50 DEAA CSCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N2 95391502 CCNHKJYTLBWMKI-AWEZNQCLSA-N 318.442 2.014 0 50 DEAA O[C@]1(c2ccccc2)[C@H]2[C@@H]3[C@H]4C[C@H]2[C@@H]2[C@@H]4[C@@H]([C@H]3C3OCCO3)[C@@H]21 247779204 ZYWAORRECHWNCD-CFCSHERLSA-N 310.393 2.251 0 50 DEAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@]23C=C[C@@]12CCC3 248008210 USHCDBVHPUUUJH-LNMJFAINSA-N 319.364 2.193 0 50 DEAA COc1c2c(c(Br)c3c1OCO3)CCN(C)C2 253410153 MWWCCGFFDRZDMA-UHFFFAOYSA-N 300.152 2.174 0 50 DEAA biogenic O=C(O)[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc21 299745395 YQTBEXVDWGUCDY-LBPRGKRZSA-N 311.293 2.244 0 50 DEAA Cc1ccc(C(=O)NCCCC(=O)O)c(Br)c1 163603244 ZFDOOKKGYUBIPN-UHFFFAOYSA-N 300.152 2.352 0 50 DEAA CCC[C@H](CC)NC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 534657536 OMNHKDYLZHHZQB-ZDUSSCGKSA-N 306.410 2.061 0 50 DEAA Cn1cncc1C(=O)NC[C@@H](c1ccccc1F)N1CCCC1 299772834 AXWDEYGLWCMPFJ-HNNXBMFYSA-N 316.380 2.126 0 50 DEAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)CCc1ccccc1F)CC2 299788327 UDGHKRQQFLSDKL-UWWQBHOKSA-N 321.392 2.289 0 50 DEAA CC(C)(c1ccc(OC(F)(F)F)cc1)c1noc(C(N)=O)n1 904059642 MZKDVMHXTJEJKD-UHFFFAOYSA-N 315.251 2.393 0 50 DEAA COc1cc2ncn([C@@H](C)c3cccnc3)c(=O)c2cc1OC 584899734 JULJHDMXKYDCEI-NSHDSACASA-N 311.341 2.418 0 50 DEAA CC1(C)C[C@H](C(=O)NCCc2cn3ccccc3n2)CCO1 584902677 JBSDUOUANRDOPH-CYBMUJFWSA-N 301.390 2.198 0 50 DEAA CN(Cc1cc(Cl)c2c(c1)OCO2)[C@H]1CC[S@@](=N)(=O)C1 1875273066 FMJJOALFNXCUGG-WVDJIFEKSA-N 316.810 2.320 0 50 DEAA CC(C)(N)/C=C/C(=O)N1CCC[C@@H](O)[C@H]1CCc1ccccc1 1875338097 NMIINFQYJCYNTF-JGJWRRPTSA-N 316.445 2.265 0 50 DEAA CCc1nocc1CN(C)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875394968 DIPUTYYGXHGDJS-VHSXEESVSA-N 318.377 2.255 0 50 DEAA Cc1cncc(-c2cn(C[C@@H](C)NC(=O)[C@H](C)C(C)C)nn2)c1 1875323280 DBMNJXKAZGMGMK-ZIAGYGMSSA-N 315.421 2.445 0 50 DEAA O=C(O)c1ncoc1[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 1875300804 RCURUXNTWKSFDA-NEPJUHHUSA-N 304.346 2.435 0 50 DEAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CC(CC2CC2)C1 1875314458 YOYIKTPHDQFMAS-MNOVXSKESA-N 303.406 2.314 0 50 DEAA CCO[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 885331373 STJRXZBTJFRBEW-LBPRGKRZSA-N 302.374 2.167 0 50 DEAA CN(C)C[C@@]1(O)CCN(c2nc(C3CCCCC3)ns2)C1 895009997 KAAMVANEEVNCAZ-HNNXBMFYSA-N 310.467 2.089 0 50 DEAA c1cc(-c2noc(Cc3nc(C4CCOCC4)n[nH]3)n2)cs1 1775987078 VIVCPDKFAAHDOS-UHFFFAOYSA-N 317.374 2.401 0 50 DEAA Cn1cncc1C(=O)N1CCCN(C/C=C/c2ccccc2)CC1 981560812 MAUNFEFAKTZSGA-WEVVVXLNSA-N 324.428 2.281 0 50 DEAA CN(C)C(=O)c1ccc(N2CC[C@H](C(C)(C)C)[C@@H](O)C2)nc1 273371429 XSMFXSWKEWXNGU-KBPBESRZSA-N 305.422 2.017 0 50 DEAA CCC1=NO[C@@H](c2nc3sc(C(=O)OC)c(C)c3c(=O)[nH]2)C1 170643139 UDJQCIINBQDXGN-MRVPVSSYSA-N 321.358 2.307 0 50 DEAA CC(C)(C(=O)N[C@@H]1CCC(=O)NC12CCC2)c1ccc(F)cc1 282677769 JZFNRMBZUUEQBZ-CQSZACIVSA-N 318.392 2.421 0 50 DEAA O=C(Cc1cncs1)NCc1cccc(Cn2cccn2)c1 187397360 LTIRCJSGBOMJTM-UHFFFAOYSA-N 312.398 2.247 0 50 DEAA C[C@@H]1C[C@H]1c1nnc2ccc(NCC(C)(C)c3cccnc3)nn12 413582684 HCLPSWMUUWQVLN-TZMCWYRMSA-N 322.416 3.032 0 50 DEAA COc1cccc(OCCCN2C(=O)NC3(CCCC3)C2=O)c1 225557512 GBPDDCXBFIVQJJ-UHFFFAOYSA-N 318.373 2.329 0 50 DEAA CC(C)C[C@H](CN)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2 415544468 GGNDUFJXYXSXFZ-LLVKDONJSA-N 322.384 2.205 0 50 DEAA C[C@H](NS(=O)(=O)c1ccco1)[C@H](c1ccccc1)N(C)C 192866936 RFDWQYVBKAEBNN-SWLSCSKDSA-N 308.403 2.249 0 50 DEAA CC[C@@H]1OCC[C@H]1C(=O)Nc1cccc(Cn2cncn2)c1 795361740 PSOBHWBBPGSPGT-CABCVRRESA-N 300.362 2.080 0 50 DEAA Cc1c(CNC(=O)/C=C/c2cnc(N)nc2)oc2ccccc12 1506405328 ZGSYWLMRCMSUIB-VOTSOKGWSA-N 308.341 2.443 0 50 DEAA Cn1ccnc1CCN1CCC([C@H](O)c2cccs2)CC1 1529159071 NGSCXXRKDSSFOH-INIZCTEOSA-N 305.447 2.470 0 50 DEAA Cc1nc(C(=O)N(C)CC(C)(C)O)c(Br)s1 408106013 JFWVHYKUUHVPMK-UHFFFAOYSA-N 307.213 2.057 0 50 DEAA CN(C)c1nc(NCCN2CCc3ccccc3C2)ncc1F 1704325247 KIGNEJSKJLFGDU-UHFFFAOYSA-N 315.396 2.152 0 50 DEAA CN(C)c1nc(N(C)Cc2cnc3ccccc3n2)ncc1F 1704308795 KJIJHQFLRRTISP-UHFFFAOYSA-N 312.352 2.261 0 50 DEAA Cc1cnc(NCCN2CCc3ccccc3C2)nc1N(C)C 1704347837 HJOFTCWBEHOVHF-UHFFFAOYSA-N 311.433 2.321 0 50 DEAA CN(CC(=O)N1CCc2ccccc21)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1704280586 MGCHEUOGQAUGLD-WNKDZCFJSA-N 314.429 2.057 0 50 DEAA Cc1ccccc1CC(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615736079 SHTWKEXVHSXGCK-ROUUACIJSA-N 310.397 2.306 0 50 DEAA Cc1cc(Cl)ccc1NC(=O)Cn1nc(C)c(C)cc1=O 1848442371 OEHZDUIGHMBTKZ-UHFFFAOYSA-N 305.765 2.461 0 50 DEAA COc1ccc(-n2c(C)nc3cc(C(=O)O)ccc3c2=O)cc1 11866567 KGVKKAMNNJVRON-UHFFFAOYSA-N 310.309 2.401 0 50 DEAA biogenic CCOc1ccc(NC(=O)N2CC[C@H]3CC[C@H](O)[C@H]32)nc1C 1857529795 RRVDFGBPLADQMR-XUJVJEKNSA-N 305.378 2.166 0 50 DEAA COc1ccccc1-c1ccc(N2C[C@H]3C[C@@H](O)C[C@H]3C2)nn1 1857702175 CKMZPGPRJAFFPI-BTTYYORXSA-N 311.385 2.359 0 50 DEAA CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1(C)C 222147331 VHVFSAWCQVUQKJ-CUOATXAZSA-N 316.405 2.066 0 50 DEAA CC1(C)CC(NS(=O)(=O)c2ccccc2F)CC(C)(C)N1 4511326 BSQUOWFHDTWVDY-UHFFFAOYSA-N 314.426 2.413 0 50 DEAA CNC[C@@H]1CCCN(C(=O)COCc2ccccc2Cl)C1 237174297 IXWVRCUKYWHVNW-ZDUSSCGKSA-N 310.825 2.315 0 50 DEAA N[C@@H]1CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C1 132555048 CTPFJGMWGUTZAC-LLVKDONJSA-N 302.296 2.077 0 50 DEAA Cc1noc([C@@H]2[C@@H](C)OCCN2CCOc2ccccc2F)n1 346476731 DCUQFHBTAIUZHX-ABAIWWIYSA-N 321.352 2.358 0 50 DEAA O=C1CC(C(=O)N=c2cc[nH]cc2)(c2cccc(Cl)c2)C1 351726729 GUBNLAOTNHJNAM-UHFFFAOYSA-N 300.745 2.396 0 50 DEAA CC[C@@H]1COCCN1C(=O)Nc1ccn(-c2ncccc2F)n1 677638595 WSQVLEREWQGDET-LLVKDONJSA-N 319.340 2.049 0 50 DEAA CCCc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2F)n[nH]1 678991224 YQWIMYQZBAQDAR-CYBMUJFWSA-N 305.309 2.057 0 50 DEAA Clc1ccccc1O[C@@H]1CCCN(CCn2cncn2)C1 378243806 ODZOFCMFKSCPMN-CYBMUJFWSA-N 306.797 2.475 0 50 DEAA C[C@@H]1O[C@H](C)[C@@H](C(=O)NCCc2cccc(C(=O)O)c2)[C@@H]1C 388185162 MEWZCVUUEAVVKA-ZAZJYDDPSA-N 305.374 2.103 0 50 DEAA Nc1nc(Cl)cc(N2CCC([C@H]3CCCNCC3)CC2)n1 900382169 PMQIKBQRYIKZEL-NSHDSACASA-N 309.845 2.318 0 50 DEAA C[C@@]1(c2nc(-c3nccc4c3CCCC4)no2)CCNC(=O)C1 904159989 BKKDWHFBIWQFTR-QGZVFWFLSA-N 312.373 2.178 0 50 DEAA FC(F)(F)c1cncc(Cn2nnnc2C2CCOCC2)c1 842070890 KVHBDNAMDIPAMS-UHFFFAOYSA-N 313.283 2.029 0 50 DEAA Cn1cnc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@H]32)c1Cl 230137938 GDCMDIKBZIDEAG-WDEREUQCSA-N 317.842 2.417 0 50 DEAA C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl 123879479 BHDKOQMADQEVBE-CABZTGNLSA-N 320.817 2.370 0 50 DEAA N=C(NC[C@H](O)c1ccccc1C(F)(F)F)N1C[C@H]2C[C@@H]2C1 2325783414 XTEINISVMJLRTF-BREBYQMCSA-N 313.323 2.215 0 50 DEAA O=C(c1ccc2cncn2c1)N1CCC[C@H]1c1cn(C2CC2)nn1 2325871471 MKSWWCCWZDGWHK-INIZCTEOSA-N 322.372 2.238 0 50 DEAA Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1 14415 YYCWFIXNKFGYRI-UHFFFAOYSA-N 313.382 2.221 0 50 DEAA CCOc1ccccc1N1CCN(C2CCN(C)CC2)CC1 279943 WJXBNQHXFKUBML-UHFFFAOYSA-N 303.450 2.302 0 50 DEAA COc1ccc(C(=O)Nc2nccc(-c3ccccn3)n2)cn1 2356152524 NTMOQCAUVITOMH-UHFFFAOYSA-N 307.313 2.195 0 50 DEAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc3nsnc23)C1 3015100 HEPNTZPLGNAJPU-NXEZZACHSA-N 311.432 2.358 0 50 DEAA C[C@@H]1OP(=O)(C2(Nn3cnnc3)CCCCC2)O[C@H]1C 3156523 XYIPRJOYQFMAKE-QWRGUYRKSA-N 300.299 2.499 0 50 DEAA COc1ccc(C)cc1NC(=O)N1CCC[C@]12CCCNC2=O 2356169407 ATCKKJCKFANUCD-KRWDZBQOSA-N 317.389 2.280 0 50 DEAA CCS(=O)(=O)N1CCC(C(=O)Nc2cccc(C)c2C)CC1 8477078 AUJRRUAILAHHPI-UHFFFAOYSA-N 324.446 2.304 0 50 DEAA CCOC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 9356749 RYBMRPOBGISAQR-UHFFFAOYSA-N 310.400 2.491 0 50 DEAA CCCn1cnnc1CNC(=O)c1c[nH]nc1C1CCCCC1 67588418 REZFDHIWXAFJQQ-UHFFFAOYSA-N 316.409 2.389 0 50 DEAA O=C(NCCc1ccccc1C(=O)O)c1cc(C2CC2)on1 315817165 RYKCNZDTOACGMP-UHFFFAOYSA-N 300.314 2.223 0 50 DEAA COc1cc(NC(=O)CN(C)[C@@H](C)c2ccon2)cc(OC)c1 65397232 HNHPDJXHYXPQFS-NSHDSACASA-N 319.361 2.323 0 50 DEAA O[C@H](c1ccc(F)cc1)C1CCN(C[C@H](O)C(F)(F)F)CC1 121296833 ABDYLHGOQAHTOG-UONOGXRCSA-N 321.314 2.494 0 50 DEAA O=C([C@@H]1CCCNC1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 121585022 JDDJDOGZPFXQKU-ZACQAIPSSA-N 302.418 2.101 0 50 DEAA CCn1nccc1CCN1CCC[C@H](Cn2nc(C)nc2C)C1 253420400 IGKPBJLBCZGWAM-INIZCTEOSA-N 316.453 2.066 0 50 DEAA NS(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1 6598313 VHMMWTUEPSERRB-UHFFFAOYSA-N 301.327 2.051 0 50 DEAA Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN[C@@H](C)C1 237530813 FJZRXYXFEDSKEM-NSHDSACASA-N 316.380 2.062 0 50 DEAA COc1ncccc1C(=O)Nc1ccc(CCC(=O)O)cc1 155925428 VBNWDJVXKPSHHX-UHFFFAOYSA-N 300.314 2.360 0 50 DEAA Cc1ccc(C(=O)N2CCC(c3ccnc(N)n3)CC2)s1 215854982 BIXYLDGISFVPRT-UHFFFAOYSA-N 302.403 2.449 0 50 DEAA O=C(NC1CCC(C(=O)O)CC1)c1cc(-c2ccco2)[nH]n1 261956459 ADOYWVLTDVZQBQ-UHFFFAOYSA-N 303.318 2.043 0 50 DEAA CO[C@H](C(=O)Nc1ccc(-c2nnn[nH]2)cc1)c1ccccc1 130088271 FXELDCHYCINOPF-AWEZNQCLSA-N 309.329 2.193 0 50 DEAA CCOc1ccc(CN2CCN(C(C)C)[C@H](CCO)C2)cc1 39394101 ODQGKXZCZGZALA-QGZVFWFLSA-N 306.450 2.362 0 50 DEAA CO[C@]1(C(=O)O)CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)C1 864169709 JFYSGRPWXPDMBY-QGZVFWFLSA-N 316.357 2.100 0 50 DEAA O=C1CNC(=O)N1[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 372903752 KMNLXZGMWHVLMA-VIFPVBQESA-N 314.172 2.124 0 50 DEAA Cc1ccc(OC2CCN(C(=O)CNC(=O)C(C)C)CC2)cc1 77303067 ZZHLBWFGUQNRGK-UHFFFAOYSA-N 318.417 2.137 0 50 DEAA Cc1nn(C(C)C)cc1CN[C@@H]1CCCN(c2ccnn2C)C1 239782395 CODHSQHFSFWWPD-MRXNPFEDSA-N 316.453 2.265 0 50 DEAA CN(C)C(=O)N1CCC(N[C@H](c2cccnc2)C2CC2)CC1 341870124 AYPYSHHRQRABJN-INIZCTEOSA-N 302.422 2.268 0 50 DEAA CCc1cc(N2CCC(NC(=O)N3CCC[C@H]3C)CC2)ncn1 175478487 GOTAMSGORAPJCU-CYBMUJFWSA-N 317.437 2.202 0 50 DEAA Cc1nc(O)c(Br)cc1C(=O)NC1CC(F)(F)C1 286612404 YCSZXEFHVXIQAS-UHFFFAOYSA-N 321.121 2.386 0 50 DEAA Cc1nc([C@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)n[nH]1 72439069 ZIYNXEGZPHSGBY-NSHDSACASA-N 316.405 2.308 0 50 DEAA O=C(NCc1ccc(Cl)s1)N[C@@H]1CCc2[nH]ncc2C1 178479043 XZRKSGKGABFHDC-SECBINFHSA-N 310.810 2.481 0 50 DEAA COc1ccc(F)c(F)c1C(=O)N1CCC(n2cnnc2)CC1 221234746 XCGMBCNSMFNCIW-UHFFFAOYSA-N 322.315 2.042 0 50 DEAA CN(CCNc1cc([C@H]2CCOC2)ncn1)CC1=CCCCC1 426370970 KRRUGXJZUASLIO-INIZCTEOSA-N 316.449 2.825 0 50 DEAA NCC[C@H]1CN(Cc2ccccc2OC(F)(F)F)CCO1 97815029 LQAUOYUWZVYCIO-LBPRGKRZSA-N 304.312 2.135 0 50 DEAA CC(C)Cc1cc(C(=O)N(C)CCCc2cnn(C)c2)on1 91473958 KMPGFRSNENOTGB-UHFFFAOYSA-N 304.394 2.311 0 50 DEAA C[C@H](NC(=O)c1ccc(Cn2cnnn2)cc1)C1=CCCCC1 97711597 BPIUAEWALKTPHC-ZDUSSCGKSA-N 311.389 2.340 0 50 DEAA Cc1n[nH]c(C)c1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 92061555 PVPSICHUINVEBV-PXAZEXFGSA-N 307.438 2.026 0 50 DEAA COCCN1CCC[C@]2(CCN(c3ncccc3Cl)C2)C1=O 91708048 COQAJROMUSCCKZ-MRXNPFEDSA-N 323.824 2.200 0 50 DEAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)CN3CCCC3)C2)cc1 95387683 LWYAAULEDRJYTB-MRXNPFEDSA-N 316.401 2.187 0 50 DEAA Cc1nc(CC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C)s1 181368007 JHYGCEJUERMSPX-LBPRGKRZSA-N 305.407 2.174 0 50 DEAA C[C@H](CSC(=O)C(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)O 95918249 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Nc1ccc([C@H]2CCCN2C(=O)c2ccncc2Cl)nn1 886097024 JBZWHZUMRJTNOA-GFCCVEGCSA-N 303.753 2.085 0 50 DEAA Cc1noc([C@]23CCC[C@H]2CN(c2ncnc4[nH]ccc24)C3)n1 895345048 UPUXWQZBCDKCGL-ZBEGNZNMSA-N 310.361 2.207 0 50 DEAA CCN([C@@H](C)C(=O)O)S(=O)(=O)c1cccc2ccc(C)nc12 899564975 UWSUOBYTVIYTQD-NSHDSACASA-N 322.386 2.027 0 50 DEAA O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1C[C@H]1c1ccncc1 1414016736 CFGMHVOAEBAYPK-SOUVJXGZSA-N 310.353 2.141 0 50 DEAA CCc1nnc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)nc1CC 583616277 LPSCCBQKTHGTFR-BBRMVZONSA-N 316.380 2.448 0 50 DEAA CCCCOc1ncccc1CNC(=O)[C@@H]1CCN(C)[C@@H]1C 585089769 YEJGPNWDGRMEAF-UKRRQHHQSA-N 305.422 2.217 0 50 DEAA CCn1cc(N(CC(C)C)C(=O)COC[C@@H]2CCCO2)cn1 585125379 PYXQZDBVBFLQDN-HNNXBMFYSA-N 309.410 2.088 0 50 DEAA C[C@@H](C[S@](C)=O)NC(=O)N(C)CC1(c2ccccc2)CC1 186636883 FGOLTKMIRVYCGR-ZSEKCTLFSA-N 308.447 2.127 0 50 DEAA COC(=O)C[C@@](C)(NC(=O)c1ccc[nH]1)c1cccc(F)c1 170090067 CJZOHZXIQKSLDP-MRXNPFEDSA-N 304.321 2.362 0 50 DEAA OC[C@]1(NCCO[C@@H]2CCCCO2)CCCc2ccccc21 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RLPAQESLCIZCBG-LLVKDONJSA-N 317.263 2.203 0 50 DEAA CN[C@H]1CCCN(C(=O)c2cc(C)ccc2N2CCCC2)C1 134027821 WWMDWJKAAASAFH-HNNXBMFYSA-N 301.434 2.419 0 50 DEAA CCOc1ccc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)o1 221225317 HNJYWNZOGGRRKX-LBPRGKRZSA-N 309.362 2.136 0 50 DEAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3ncccc3C)[C@H]2C1 426571604 MLTMDLIXGIBXLT-GRDNDAEWSA-N 304.390 2.189 0 50 DEAA CN1C(=O)NC2(CCN(Cc3ccc4ccccc4c3)CC2)C1=O 179436847 PIQMXAKAKFRIFP-UHFFFAOYSA-N 323.396 2.356 0 50 DEAA c1ccc(OCCN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 195520688 YVALBRYZWMJTPI-HNNXBMFYSA-N 312.417 2.483 0 50 DEAA CCCn1ncc(C(=O)N[C@H](C(=O)O)c2cccc(F)c2)c1C 95530770 IVSIRGTYITXTMC-AWEZNQCLSA-N 319.336 2.296 0 50 DEAA Cc1cnc(CNC(=O)c2ccc([C@@H]3CCCNC3)cc2)cn1 95356112 VYLQXWRORISKMU-MRXNPFEDSA-N 310.401 2.182 0 50 DEAA N[C@H]1C[C@@H](c2cc(NCCc3cn4ccsc4n3)ncn2)C1 252536030 HMEARUDINFIIJZ-PHIMTYICSA-N 314.418 2.045 0 50 DEAA O=C(O)C[C@@H]1CCCN(C(=O)COc2ccccc2F)CC1 299741450 DXXQNWUCINKBDB-GFCCVEGCSA-N 309.337 2.308 0 50 DEAA CN(CCC[C@H]1CCCO1)C(=O)NCc1cccc(CO)c1 534588247 XORZZNOAEALPRK-INIZCTEOSA-N 306.406 2.280 0 50 DEAA C[C@H]1CCCN1S(=O)(=O)Nc1ccccc1-n1cccn1 185193843 UWDQSTNUUWKVJX-LBPRGKRZSA-N 306.391 2.013 0 50 DEAA O=C(CCCc1cn[nH]c1)N1CCC(Oc2ccncc2)CC1 299777896 PKVULXDBOZAVMY-UHFFFAOYSA-N 314.389 2.197 0 50 DEAA Cc1cc(C(=O)N(C)Cc2cnc3ccccc3n2)nc(C)n1 825261462 JWEDFOGAZUGUSG-UHFFFAOYSA-N 307.357 2.309 0 50 DEAA Cc1ccccc1[C@@H]1CCCN1C[C@H](O)CC1(O)CCOCC1 630034592 AYGVOGQJHLNBRR-AEFFLSMTSA-N 319.445 2.424 0 50 DEAA C[C@@H](NC(=O)N1CC[C@@](F)(C(F)(F)F)C1)c1csnn1 1875300992 ZJBUBAFCERNBEQ-MUWHJKNJSA-N 312.292 2.285 0 50 DEAA C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc(C(=O)O)cc1F 887557239 DPFMGMVLSXJRDL-NHYWBVRUSA-N 320.364 2.223 0 50 DEAA C[C@@H]1CN(C(=O)NCCCc2cccc(O)c2)CC[C@H]1C(=O)O 1776000217 PMUIMRLBUYZITB-IUODEOHRSA-N 320.389 2.077 0 50 DEAA CCN([C@H](C)C(=O)O)S(=O)(=O)c1cccc2ccc(C)nc12 899564974 UWSUOBYTVIYTQD-LLVKDONJSA-N 322.386 2.027 0 50 DEAA CCCS(=O)(=O)N1CCN(Cc2ccccc2Cl)CC1 19842762 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318.417 2.426 0 50 DEAA Cc1cnc(C(=O)N2CCC[C@@]3(CCc4cnc(C)nc43)C2)cn1 1704342438 CJTXIWXJFBFOTG-GOSISDBHSA-N 323.400 2.004 0 50 DEAA COc1cc2c3c(c1)[C@](O)(CC(C)=O)C(=O)N3C(C)(C)C=C2C 1848442481 ZAQXXBSMSBWJQN-GOSISDBHSA-N 315.369 2.404 0 50 DEAA C[C@H]1CCCN(CCC(=O)N2CCN(c3ccccc3)CC2)C1 19741167 VJPVMUJGYOJTKE-KRWDZBQOSA-N 315.461 2.457 0 50 DEAA Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1nc(Cl)n(C)n1 1857704752 DXWBMYLHJXUZAG-LLVKDONJSA-N 322.796 2.283 0 50 DEAA Cc1nc[nH]c1-c1nccn1[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1 1857716995 KRDNNEXYFDLRHQ-SOUVJXGZSA-N 313.405 2.006 0 50 DEAA O=C(COc1ccc(F)cc1F)N[C@H]1c2ccccc2C[C@H]1O 303116009 SUYLPJBUGYMQKK-PBHICJAKSA-N 319.307 2.118 0 50 DEAA COc1ccc([C@H]2CCCN2CC(=O)N(C)C2CC2)cc1OC 125675240 OKCZMFZBGAAFPT-OAHLLOKOSA-N 318.417 2.462 0 50 DEAA CCc1onc(C)c1NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 671570661 MJHYFDNUFMAKHV-DOMZBBRYSA-N 318.377 2.385 0 50 DEAA CN(CCn1cccn1)C(=O)N[C@@H]1CCOC2(CCCCC2)C1 157555757 YIYSKWJLRVEKRR-OAHLLOKOSA-N 320.437 2.406 0 50 DEAA 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C[C@@H](NC(=O)C1(C(F)(F)F)CCCC1)c1nccc(N)n1 615713582 SMISVQGFIXEGGE-MRVPVSSYSA-N 302.300 2.359 0 50 DEAA CN(C[C@H]1OCCc2ccccc21)C(=O)CCc1cncnc1 292276003 OFQQVTJECIPYQJ-QGZVFWFLSA-N 311.385 2.182 0 50 DEAA c1ccc(COc2ccccc2CN2C[C@@H]3NCCO[C@H]3C2)cc1 426528109 VOJWUGYHJOYVGE-ICSRJNTNSA-N 324.424 2.438 0 50 DEAA O=C(NCc1ncc(Cl)cn1)[C@@H]1CCCN2CCCC[C@H]12 426508176 ZSOVGLROJREEDB-CHWSQXEVSA-N 308.813 2.011 0 50 DEAA C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 267051376 XJNPZVVSICRUQH-FMKPAKJESA-N 323.458 2.147 0 50 DEAA Cc1cc(C(=O)NC[C@H]2CCCN2C)nn1-c1ccc(F)cc1 180397707 HZKUSAVHWYGZCE-OAHLLOKOSA-N 316.380 2.144 0 50 DEAA CCN1C[C@@H](C(=O)NCCSCc2ccccc2C)CC1=O 95356146 JHMCXWYNXMVCFD-HNNXBMFYSA-N 320.458 2.213 0 50 DEAA CC(C)CS(=O)(=O)CCNC(=O)C[C@H]1CCc2ccccc21 97217462 LOIHNLRLLKKEKF-OAHLLOKOSA-N 323.458 2.294 0 50 DEAA CCn1ncc(Cl)c1C(=O)N(CC(=O)O)C1CCCCC1 621535066 YVTVMBLRVOQNKK-UHFFFAOYSA-N 313.785 2.416 0 50 DEAA Cc1nc(N2CCC[C@@](O)(CN(C)C)CC2)c2sccc2n1 91965469 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0 50 DEAA OCCOc1ccc(-c2nccn2[C@@H]2CCC[C@@H](O)C2)cc1 1772814050 GUADRNPUIVCBFS-HUUCEWRRSA-N 302.374 2.397 0 50 DEAA CNc1ccc(Cl)cc1C(=O)N1C[C@H]2CCCN2C(=O)[C@@H]1C 1772707199 LOMCSZJJGFDQTO-CMPLNLGQSA-N 321.808 2.217 0 50 DEAA CC(=O)Nc1cccc(NC(=S)NC(=O)c2ccco2)c1 12138735 RBBSUNQNGBGRGA-UHFFFAOYSA-N 303.343 2.365 0 50 DEAA O=C(N[C@H]1CCCN(CC2CCCCC2)C1)c1cnccn1 12471343 OJFVXMPZGZFWMF-HNNXBMFYSA-N 302.422 2.251 0 50 DEAA NC(=O)CCC(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 12836893 AXAYLBVGQIEMJY-CYBMUJFWSA-N 324.371 2.402 0 50 DEAA Cc1ccc2nc[nH]c(=NCc3nncn3C3CCCCC3)c2n1 1857680722 SYASOLCSQUOHMN-UHFFFAOYSA-N 323.404 2.464 0 50 DEAA c1cc2c(cc1-c1noc(CCC3CCNCC3)n1)OCCO2 843180436 LZICNWJCYPNEDE-UHFFFAOYSA-N 315.373 2.440 0 50 DEAA Cn1cc(CCC(=O)N2CCC(C(=O)O)CC2)c2ccccc21 237766823 REAYIQXPHCDPKE-UHFFFAOYSA-N 314.385 2.434 0 50 DEAA O=C(O)[C@@H](Cc1ccncc1)NC(=O)[C@@H]1CCCc2ccccc21 655599346 NAFQPGOESPIMTP-IAGOWNOFSA-N 324.380 2.314 0 50 DEAA O=C(Nc1ccccn1)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 454292317 PEJLVSHLADTSEL-WMLDXEAASA-N 315.348 2.414 0 50 DEAA O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@@H](F)C[C@H]1CO 347432523 GLWAKQULOHIJDV-IRXDYDNUSA-N 320.408 2.217 0 50 DEAA CCN(Cc1ccncc1)C[C@@H]1CCO[C@H]1c1nccn1C 668154323 LTVXEUDRHWSRPX-JKSUJKDBSA-N 300.406 2.415 0 50 DEAA CC[C@](CNC(=O)[C@H]1CCCO[C@@H]1C)(C(=O)O)c1ccccc1 668292799 OUJJBOJTQBDWFG-QIIPPGSGSA-N 319.401 2.350 0 50 DEAA COc1cc(C)c(C(=O)N2C[C@@H](C(=O)O)CC[C@@H]2C)cc1OC 263237315 REMZBHIGUBKRIQ-RYUDHWBXSA-N 321.373 2.338 0 50 DEAA Cc1ccc(CS(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1C 263476462 JJMQTGALLOPUNO-CQSZACIVSA-N 311.403 2.072 0 50 DEAA CC(=O)N1CCO[C@H](C(=O)Nc2cccc3ccsc23)C1 935052989 WTFXAJACWLUNAG-ZDUSSCGKSA-N 304.371 2.087 0 50 DEAA Cc1cnc(Nc2cccc(N3CCNC3=O)c2)nc1N(C)C 2100534561 NPVVLOZYAWLCRK-UHFFFAOYSA-N 312.377 2.124 0 50 DEAA C[C@H]1c2cc(CN3CC45COCC4(COC5)C3)ccc2O[C@@H]1C 2325794006 NZFQHOBPBYRTCZ-CXTCDGGRSA-N 315.413 2.420 0 50 DEAA C[S@](=O)(=NC(=O)c1cc2ccccc2[nH]1)[C@@H]1CC[C@@H](O)C1 2325803412 FNNNQTZBVAGIHV-JWCBKOKGSA-N 306.387 2.319 0 50 DEAA C[C@H](NS(=O)(=O)c1ccccc1)[C@@H]1COc2ccccc2O1 270940 BIVMEGGPGLDKAG-LRDDRELGSA-N 319.382 2.193 0 50 DEAA COc1cccc(C(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)c1 275087 QSJVLOSQMYIDIW-GFCCVEGCSA-N 302.252 2.168 0 50 DEAA CCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 991148 RMHMLJNDSPOCBB-UHFFFAOYSA-N 310.419 2.001 0 50 DEAA CN1CCC[C@]2(CCCN2C(=O)Cc2ccc(F)cc2F)C1=O 2356139074 MGXDVCQNPFQUFY-KRWDZBQOSA-N 322.355 2.121 0 50 DEAA CCCOc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C 2868838 HTEBPJQJNCNVBW-UHFFFAOYSA-N 313.419 2.113 0 50 DEAA CC(C)CNC(=O)NCCCCCCNC(=O)NCC(C)C 4776554 JFKABGYZNGYQKH-UHFFFAOYSA-N 314.474 2.457 0 50 DEAA COC(=O)c1ccccc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 101441230 CWIUAGSIBAHCFX-ZNIXKSQXSA-N 317.341 2.159 0 50 DEAA C[C@@H]1CN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)[C@H](C)CO1 247972510 TUKZRPVUPWMAHZ-NFAWXSAZSA-N 316.401 2.213 0 50 DEAA C[C@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2ccccc2)C1 10544020 CKOSAIIGKVLWOD-GASCZTMLSA-N 310.463 2.333 0 50 DEAA Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nn1 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COc1ccc(OC)c(-n2cnnc2[C@H](O)c2ccccc2)c1 67871797 UAGQJMINPVPBGD-MRXNPFEDSA-N 311.341 2.366 0 50 DEAA CCCn1cnnc1CN(C)c1cc(C)nc(-c2cccnc2)n1 65397945 OKHMBGDXZALXJG-UHFFFAOYSA-N 323.404 2.485 0 50 DEAA O=C(c1c(O)cccc1F)N1CC(O)(c2ccc(F)cc2)C1 253424317 DJYCZIAIROKHFJ-UHFFFAOYSA-N 305.280 2.014 0 50 DEAA C[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)CC2CCCC2)CC1 253418102 JVJBTAZPMZYELT-HOCLYGCPSA-N 322.449 2.053 0 50 DEAA O[C@@]1(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)CCOC1 330313752 OVTLXIJFUBFBQC-UONOGXRCSA-N 316.323 2.219 0 50 DEAA CC(=O)C[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 128742135 PYUFFMZAXHSHLB-GDLCADMTSA-N 303.358 2.045 0 50 DEAA C[C@H]1OCCC[C@H]1C(=O)NCc1cc(O)nc2ccccc12 332110734 CBRLYXARSJLEAK-DGCLKSJQSA-N 300.358 2.372 0 50 DEAA Cc1nc(CCCNC(=O)c2sc(N)nc2C)sc1C 219303431 IQAVGKLDXIIKNB-UHFFFAOYSA-N 310.448 2.470 0 50 DEAA Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 77427561 AYTKKPMORNPCGJ-ZDUSSCGKSA-N 301.394 2.088 0 50 DEAA CC(C)CC1(C(=O)N2CCN([C@H]3CCNC3)CC2)CCCC1 262411421 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2.352 0 50 DEAA Cc1cc(NC(=O)c2cnccn2)n(Cc2ccc(F)cc2)n1 1429810 PAYPLOFNJVTZGI-UHFFFAOYSA-N 311.320 2.421 0 50 DEAA Cn1nc([C@@H]2CCCN2Cc2nc3ccccc3s2)nc1N 284260462 MBMVZYIGXAKFSA-NSHDSACASA-N 314.418 2.344 0 50 DEAA CCC(CC)[C@H](C(=O)Nc1ccc(C)nc1)N1CCOCC1 124974008 JRDUKPFXELGWSU-MRXNPFEDSA-N 305.422 2.466 0 50 DEAA CCCn1ccnc1CN1CCC(O)(c2cccnc2)CC1 215332676 FEIRRMGNLUOTGB-UHFFFAOYSA-N 300.406 2.172 0 50 DEAA CC(C)c1ncsc1C(=O)N1CCC[C@@H](c2nc(O)n[nH]2)C1 334048065 QSMWORCDJXXAJA-SECBINFHSA-N 321.406 2.110 0 50 DEAA Cc1ccc(-c2nnn[nH]2)cc1-n1ccnc1-c1cccnc1 77341550 KULGNXJOLDXODD-UHFFFAOYSA-N 303.329 2.423 0 50 DEAA COc1cc(CNCc2cccnc2N(C)C)cc2c1OCO2 14976071 HNXOQMLAYZYPBV-UHFFFAOYSA-N 315.373 2.175 0 50 DEAA NC(=O)c1cccc(Cc2noc([C@@H]3CC34CCOCC4)n2)c1 377478200 PFEANYIKHLXIKJ-ZDUSSCGKSA-N 313.357 2.043 0 50 DEAA C[C@H](Cc1cccs1)NC(=O)Cn1c(=O)oc2ccccc21 38565848 QDJUREGCRDXICO-LLVKDONJSA-N 316.382 2.403 0 50 DEAA COc1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)ccc1F 263235580 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DEAA O=C(NCCc1nc2ccccc2s1)c1cnc(O)cc1O 222234053 WBLAJLXTIVVWNT-UHFFFAOYSA-N 315.354 2.075 0 50 DEAA CCc1nc2ccc(Cl)cn2c1C(=O)N1C[C@@H](O)C(C)(C)C1 293425779 UHEPJTZBTNJACK-GFCCVEGCSA-N 321.808 2.393 0 50 DEAA COCCc1nc(C[C@@H]2CCOC2)n(CCc2ccccc2)n1 96135777 VLQDVYSPJVQDFU-INIZCTEOSA-N 315.417 2.289 0 50 DEAA CCC[C@]1(CO)CCCN(Cc2nccc(OC)c2OC)C1 91780906 SMWYFUZUURERFS-KRWDZBQOSA-N 308.422 2.473 0 50 DEAA Cc1c(C(=O)N2CCOC[C@@H]2C(=O)O)sc2cccc(F)c12 268968931 FQYPYGCCUAFEKA-SNVBAGLBSA-N 323.345 2.274 0 50 DEAA O=C(O)[C@H]1C[C@H]1C(=O)NCCCc1nc2ccccc2s1 299750020 MKIPVHCOFIFAHL-ZJUUUORDSA-N 304.371 2.066 0 50 DEAA Cc1c(C(=O)N(C)[C@H](CO)CC(C)C)cnn1C1CCOCC1 184623863 WHBFKNMQLDTWNA-HNNXBMFYSA-N 323.437 2.022 0 50 DEAA C[C@H]1CCCCN1CC(=O)NCCc1nc2ccccc2o1 299787892 SWIGWRGUSYQOIH-ZDUSSCGKSA-N 301.390 2.361 0 50 DEAA COC(=O)c1cc(CNC[C@@H](CC2CC2)C(=O)OC)oc1C 952882718 KHSOYQACAUTKDC-GFCCVEGCSA-N 309.362 2.054 0 50 DEAA COC(=O)/C=C/CNC(=O)c1cccc([C@@H]2CCCOC2)c1 1875312261 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0 50 DEAA O=C(c1ccc2nccn2c1)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356159211 QXDVSKCGSHQWNZ-DLBZAZTESA-N 321.380 2.325 0 50 DEAA COc1ccc(CNC(=O)C(=O)Nc2cccc(F)c2)cc1 2993952 VOVMBQGPCACYGB-UHFFFAOYSA-N 302.305 2.089 0 50 DEAA CCCCS(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1 6699744 FKGVTNSNNCLJGP-UHFFFAOYSA-N 310.419 2.464 0 50 DEAA CN(C(=O)c1c(F)cccc1Br)[C@@H]1CCNC1 122434208 LCPCQFISUZJYAH-MRVPVSSYSA-N 301.159 2.022 0 50 DEAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@@H](C(=O)O)C1 136121528 FFQNFEIBFPNSST-SECBINFHSA-N 313.785 2.134 0 50 DEAA CO[C@H](CNC(=O)CCC(=O)NC1CCCC1)c1cccs1 55310380 QWQNWYBPRKOFMY-CYBMUJFWSA-N 324.446 2.391 0 50 DEAA Cc1nc2ccc(C(=O)Nc3cccc4c3CNC4=O)cc2n1C 345532380 NBKLMRVTWPKFEV-UHFFFAOYSA-N 320.352 2.377 0 50 DEAA Cn1cnnc1[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 328625810 DMQAXVVFMJNHAJ-FAAWYNLUSA-N 302.353 2.041 0 50 DEAA Cc1csc(CNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)n1 229448402 AMAUMBSECWCTMP-YPMHNXCESA-N 310.467 2.371 0 50 DEAA NC(=O)C1CCC(C(=O)Nc2ccc3nc(S)[nH]c3c2)CC1 121774101 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O=C(NCc1ccccn1)c1nc(-c2cccnc2Cl)no1 12360610 VYKBSODBNZCGFO-UHFFFAOYSA-N 315.720 2.110 0 50 DEAA O=C(NC[C@@H]1CN(C2CC2)CCO1)c1coc2ccccc12 127631645 KAEAGPKWBHSQEE-CYBMUJFWSA-N 300.358 2.026 0 50 DEAA O=C(N[C@@H]1CC12CCOCC2)N1CCO[C@H](c2ccsc2)C1 333155813 GINZZZXRYGPIDL-UONOGXRCSA-N 322.430 2.400 0 50 DEAA O=C(CC1=CCCC1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 219554622 VIGWYTSXVJUKRA-IAGOWNOFSA-N 316.401 2.372 0 50 DEAA COCCN(C)CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 77392051 DHWJMQKLUSLPBC-MRXNPFEDSA-N 308.397 2.458 0 50 DEAA O=C(c1ccn(-c2ccccc2F)n1)N1CCCc2n[nH]cc21 447638184 VVIWYWWHPKHKBQ-UHFFFAOYSA-N 311.320 2.328 0 50 DEAA O=C(NCC1CCN(C2CC2)CC1)c1cccc2c1OCO2 333730303 PNGCZSQEWKCJPJ-UHFFFAOYSA-N 302.374 2.020 0 50 DEAA CCCc1noc(CN2[C@H](C(=O)OC)C[C@H]3CCCC[C@H]32)n1 241684834 QFNXUWARXYGECC-UPJWGTAASA-N 307.394 2.328 0 50 DEAA C[C@@H]1C[C@@H](N2C(=O)[C@@H]3CCCN3C2=O)CN1Cc1ccccc1 253419959 AUCMNQMYXWGBSZ-BMFZPTHFSA-N 313.401 2.076 0 50 DEAA COc1cc(C)c(CN(C)C(=O)[C@H]2CC[C@H](N)C2)cc1OC 150746732 CNJZKKDOLYDWOW-JSGCOSHPSA-N 306.406 2.098 0 50 DEAA COC[C@@H]1CCCN(C(=O)NCc2cccnc2N(C)C)CC1 457687969 GZBNNNHQHWULQR-CQSZACIVSA-N 320.437 2.106 0 50 DEAA Cc1cccc(C)c1CCNc1nn2c(=O)ccnc2s1 153793584 CKAGSXGMXMGCDA-UHFFFAOYSA-N 300.387 2.422 0 50 DEAA CC(C)Cn1ncnc1CN1CCN(C)C[C@H]1c1ccccc1 245537746 YOOCYNLZJLRFMR-KRWDZBQOSA-N 313.449 2.423 0 50 DEAA CC1(C)C(C(=O)N[C@@H]2CCCc3c2cnn3CCO)C1(C)C 369911788 BUZAWQRCMSTMIJ-GFCCVEGCSA-N 305.422 2.051 0 50 DEAA NC1(CNC(=O)c2occc2COc2ccccc2)CCC1 342616346 HZYCLDCXOWNUDM-UHFFFAOYSA-N 300.358 2.470 0 50 DEAA CO[C@H](CN)CC(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 262750661 BWFDOAMSDDXDQQ-INWMFGNUSA-N 308.447 2.055 0 50 DEAA O=C(c1ccc2[nH]ccc2c1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 286476287 VTCBNWRPDPZTMB-DJIMGWMZSA-N 314.385 2.170 0 50 DEAA O=C(N[C@@H]1CCOC[C@H]1OCC1CC1)c1cc2ccccc2[nH]1 219504117 DLSZOTZYHKDMLA-NVXWUHKLSA-N 314.385 2.482 0 50 DEAA Cc1ccccc1[C@@H](CNC(=O)CC1CCNCC1)N(C)C 216373061 ZVGITSDNPKONIS-QGZVFWFLSA-N 303.450 2.104 0 50 DEAA COCc1n[nH]c([C@H]2CCCCN2C(=O)c2ccc(C)nc2)n1 289193391 UOZIYYIOBXWSPV-CYBMUJFWSA-N 315.377 2.022 0 50 DEAA CO[C@@H]1COCC[C@H]1NC(=O)CCCc1c[nH]c2ccccc12 222485672 RHYQEUWXSIBMNS-IAGOWNOFSA-N 316.401 2.411 0 50 DEAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cc(CCC)on1 82108297 RMPNGARFMAWMSY-AWEZNQCLSA-N 307.394 2.100 0 50 DEAA Cc1cc(C(F)(F)F)cc(=O)n1[C@@H](C)C(=O)N1CCCC1 95375800 IENDLVIGPOMCDZ-JTQLQIEISA-N 302.296 2.359 0 50 DEAA C[C@@H](O)CN1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91915079 VTCFNMKMIWAVLF-MRXNPFEDSA-N 316.445 2.272 0 50 DEAA Cc1cc(N2CCc3ccccc3C2)nc(N2CCOCC2)n1 242853544 GBAFUXKYYLTQED-UHFFFAOYSA-N 310.401 2.184 0 50 DEAA O=C1Nc2ccc(OC(F)(F)F)cc2C(=O)N2CCC[C@H]12 534582839 ISKKRTISLQSSGY-SNVBAGLBSA-N 300.236 2.142 0 50 DEAA Cc1nn(C)c(C)c1CCC(=O)N(C)CCC[C@H]1CCCO1 823629767 VZIIPLZVZCWFCK-HNNXBMFYSA-N 307.438 2.387 0 50 DEAA CC(C)(C)c1ncc(-c2cnc(N3CCC[C@H](O)C3)nc2)o1 1875272517 XXQYNGYLIILUHU-LBPRGKRZSA-N 302.378 2.390 0 50 DEAA COC(=O)/C=C/CNC(=O)c1ccc(CN2CCCCC2)s1 1875273192 FIMGLSJKMQYCKY-AATRIKPKSA-N 322.430 2.193 0 50 DEAA COc1cccc([C@@H](C)C(=O)N2CCC(N(C)OC)CC2)c1 1875273750 SYKXWRGNYCJREN-CYBMUJFWSA-N 306.406 2.283 0 50 DEAA Cc1cc(CNS(=O)(=O)c2ccc(C(C)(C)C)nc2)on1 1875289586 BPDOBSOTCXRLDJ-UHFFFAOYSA-N 309.391 2.154 0 50 DEAA C[C@H]1NC(=O)OC12CCN(C(=O)C1(c3cccs3)CC1)CC2 1875396387 FGOPOAZIWULYIH-LLVKDONJSA-N 320.414 2.269 0 50 DEAA COC(=O)/C=C/C(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F 1875378839 GBZKXGNCPJLOIB-ABZNLYFFSA-N 315.291 2.253 0 50 DEAA CN1C(=O)C[C@@H](CNC2CCSCC2)[C@@H]1c1ccncc1 886056842 PRQLFVLYAZELTN-BBRMVZONSA-N 305.447 2.086 0 50 DEAA Cc1nc2c([nH]1)C[C@@H](C(=O)Nc1nn(C)c3ccccc13)CC2 889494037 QMTUJKCLYMPQQK-NSHDSACASA-N 309.373 2.348 0 50 DEAA CCc1cnc(CC(=O)N2CCC[C@@H]2c2ccc(OC)cn2)[nH]1 890249869 YJEHELOTEKDSAD-OAHLLOKOSA-N 314.389 2.282 0 50 DEAA Cc1nn(C)c(CN2CCOC[C@H]2c2c(C)n[nH]c2C)c1Cl 892225204 NKZASKBTSHVJAE-ZDUSSCGKSA-N 323.828 2.295 0 50 DEAA CCN(C(=O)c1ccc2cc(OC)ccc2c1)[C@H]1CCNC1=O 1771690483 XKPUGNKSDZTXAX-INIZCTEOSA-N 312.369 2.199 0 50 DEAA Cc1oc(C(C)(C)C)cc1CNCc1nnc2n1CCOC2 894002427 XNQOYRJKUPAVAI-UHFFFAOYSA-N 304.394 2.297 0 50 DEAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@H](C)c1cnccn1 1775959022 CAGSOULSDYQGQG-ZLENFMNRSA-N 315.421 2.255 0 50 DEAA Cn1c(-c2n[nH]c3c2CCCC3)nnc1N1CCCC2(CC2)C1 1775988059 RRCKZBZSPJMHFY-UHFFFAOYSA-N 312.421 2.464 0 50 DEAA CCn1ncnc1CN1CC[C@H](c2sccc2C)[C@@H](O)C1 1565510684 NXJAIMAOUXPCTK-STQMWFEESA-N 306.435 2.018 0 50 DEAA COc1ccccc1CC(=O)N1C[C@H](N)CC[C@H]1C(F)(F)F 393357469 WFPKCMXQMHIRBB-YPMHNXCESA-N 316.323 2.118 0 50 DEAA COc1cc(C(=O)N[C@]2(C)CCO[C@H]2C2CC2)cc(OC)c1O 273841666 JKLRGAGFBJWSSE-DOTOQJQBSA-N 321.373 2.097 0 50 DEAA CC(C)c1ccc(O)c(C(=O)NCCn2cnnc2C2CC2)c1 170644311 QKVZAXKTWFYBCU-UHFFFAOYSA-N 314.389 2.415 0 50 DEAA COC(=O)[C@@H]1CCc2nnc([C@@H]3Cc4ccccc4O3)n2CC1 601044873 SAHYXQKFCXWPTI-RISCZKNCSA-N 313.357 2.080 0 50 DEAA C[C@H](OC(=O)CCCCC(N)=O)c1nc2ccccc2n1C 225389183 HVOFORMRGRASPR-NSHDSACASA-N 303.362 2.223 0 50 DEAA Cc1ncc(C(=O)Oc2ccc(-c3ncn(C)n3)cc2)c(C)n1 188204937 YLTWTXRLOFAKAV-UHFFFAOYSA-N 309.329 2.108 0 50 DEAA CN(C)C(=O)CNC(=O)N1CCCCC[C@@H]1c1ccccc1 193626306 ADUKWOGPIRMZLP-OAHLLOKOSA-N 303.406 2.402 0 50 DEAA Cc1csc(=O)n1CCN1CCCN(c2ccccc2)CC1 194080443 FVDSKVUPVWMWRT-UHFFFAOYSA-N 317.458 2.431 0 50 DEAA C[C@H](CC(=O)NC[C@@H]1CC(=O)N[C@H](C)C1)Cc1cccc(F)c1 585127744 IGIMRSASVWXYCK-GUTXKFCHSA-N 320.408 2.425 0 50 DEAA CC1=NNC(=O)[C@H]1Sc1ncnc2sc3c(c12)CCC3 585118748 AMAYATBHUGQUNV-JTQLQIEISA-N 304.400 2.146 0 50 DEAA Cn1c(=O)ccc2c(NC(=O)NC[C@@]3(C)CCOC3)cccc21 585119700 QMIHUKMTBUCSCC-QGZVFWFLSA-N 315.373 2.087 0 50 DEAA CC1(C)[C@H](NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C[C@H]1N1CCOCC1 585127310 WWGFRFUPMLELPW-FIDHJVLJSA-N 320.477 2.428 0 50 DEAA CC(C)CN1CCN(c2nnc(C(C)C)s2)C[C@H]1CCO 1529151633 KVGPAWGEWSYHOO-CYBMUJFWSA-N 312.483 2.191 0 50 DEAA O=C1[C@@H]2CC[C@@H](CN(c3nccs3)C2)N1Cc1ccccn1 212710642 ZZDYTLOCBAVJQJ-OCCSQVGLSA-N 314.414 2.166 0 50 DEAA CCCCNC(=O)Cc1noc(C2CCN(CC3CC3)CC2)n1 1615615239 WLCZWSLZGPUDLV-UHFFFAOYSA-N 320.437 2.118 0 50 DEAA Cc1nonc1Cc1nc(-c2cc(OCC(F)F)ccn2)no1 1616037175 HCGMPRJCUUMJEB-UHFFFAOYSA-N 323.259 2.058 0 50 DEAA Cc1nc(-c2cnn(Cc3ccccc3)c2)n(-c2ccnn2C)n1 1772809516 CWWHYRITMYXYGQ-UHFFFAOYSA-N 319.372 2.221 0 50 DEAA CC(C)N(C)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 11774825 YABFWCMTRZWUPH-OAHLLOKOSA-N 320.408 2.474 0 50 DEAA CC(=O)N1CCC(C(=O)N2CCO[C@@H](CCCC(C)C)C2)CC1 15064394 BCSYTTMALRCVNJ-KRWDZBQOSA-N 324.465 2.299 0 50 DEAA COCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 15075086 FGMYHTZKOVHESF-SFHVURJKSA-N 322.449 2.054 0 50 DEAA CC1CCN(C(=O)CSc2nc3ccccc3c(=O)[nH]2)CC1 17971349 VVBZBGQMEHOBGW-UHFFFAOYSA-N 317.414 2.274 0 50 DEAA biogenic,in-vitro C/C(=C\c1ccco1)CN1CCC(n2cc(CO)nn2)CC1 19145921 SLMFYWYNSIWFFR-UKTHLTGXSA-N 302.378 2.104 0 50 DEAA COC(=O)C1(Oc2ccc(Br)cc2)CCNCC1 205360890 OANZBNULFBPDPR-UHFFFAOYSA-N 314.179 2.123 0 50 DEAA C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 408069449 BLOHAFJECQLAHY-CBBWQLFWSA-N 315.479 2.484 0 50 DEAA Cc1ccccc1Cn1cnc2sc(C(N)=O)c(C)c2c1=O 7994958 WLBTWKZOZKNDBW-UHFFFAOYSA-N 313.382 2.222 0 50 DEAA CC(C)n1cnc(S(=O)(=O)NC[C@@H]2Cc3ccccc32)c1 152020780 ADJVENVOOSPYSU-ZDUSSCGKSA-N 305.403 2.082 0 50 DEAA NC(=O)[C@H]1c2ccccc2CCN1C(=O)c1ccoc1C1CC1 375613331 QNKDFQAGWDNAAX-OAHLLOKOSA-N 310.353 2.382 0 50 DEAA Cc1c(Cl)c(C(=O)N2CCCC[C@@H]2CCC(=O)O)nn1C 263160076 IHCNRQZYJJSRPI-SNVBAGLBSA-N 313.785 2.241 0 50 DEAA COc1ccccc1-c1cn(Cc2nnc3n2CCCCC3)nn1 900570801 KRSSFSQYSIKVQE-UHFFFAOYSA-N 324.388 2.320 0 50 DEAA CCN(CC)Cc1ccc(NC(=O)[C@H]2CCCC(=O)N2C)cc1 907649905 CYMQJBAUMOOZAQ-MRXNPFEDSA-N 317.433 2.478 0 50 DEAA O=C(NCc1cc(=O)cc[nH]1)[C@@H]1CSC[C@H]1c1ccccc1 910402745 XDDBJAZTQXPHHZ-JKSUJKDBSA-N 314.410 2.138 0 50 DEAA Cc1cc(C(=O)N2CCC[C@@H]2c2cn(C)nc2C)oc1C(=O)O 911584365 QCIGGERALJYRBG-GFCCVEGCSA-N 317.345 2.305 0 50 DEAA CC(C)[C@@H]1C[C@](C(=O)O)(n2cc(Br)cn2)CCO1 1776007052 UEQGNZCNNNBPMF-CMPLNLGQSA-N 317.183 2.261 0 50 DEAA CC(C)OC1CN(C(=O)Nc2nnc([C@H]3CCCO3)s2)C1 932230036 XUYREVVYOJGJQA-SNVBAGLBSA-N 312.395 2.031 0 50 DEAA Cc1nc(CC(=O)N[C@H](C(=O)O)c2ccc(F)c(C)c2)cs1 836753914 XNWGPWIDYCHSGM-AWEZNQCLSA-N 322.361 2.384 0 50 DEAA O=C([C@H](O)C1CCCCC1)N1CC2(COc3ccccc3C2)C1 2100544677 DZOSCNPMOVMLKU-QGZVFWFLSA-N 315.413 2.391 0 50 DEAA CC1(C)CC[C@@H](NC(=O)c2cccn3nccc23)[C@@H](CN)C1 2325775751 TVHLSNLEWIGKOA-TZMCWYRMSA-N 300.406 2.218 0 50 DEAA C[C@H]1CCn2c(C(=O)N3CC(=O)Nc4ccccc43)cnc2C1 2325804884 ACUJXOBWLSWHHO-NSHDSACASA-N 310.357 2.064 0 50 DEAA Cc1ccccc1OCCN(C)[C@H]1CCC[C@H]1S(C)(=O)=O 242302411 YSKIWQBJDHVGAM-GOEBONIOSA-N 311.447 2.271 0 50 DEAA Cc1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1 98362 PWWBXDZPEIYGDP-UHFFFAOYSA-N 301.371 2.350 0 50 DEAA COC(=O)c1cc(OC)c(OC)c(OC)c1Br 400340 ZEOHPLFQOMVEDD-UHFFFAOYSA-N 305.124 2.262 0 50 DEAA CC[C@]1(O)CCC[C@H]2CN(C(=O)CCc3ccccn3)C[C@H]21 2356140006 PQQHTUZGQHSWIM-LESCRADOSA-N 302.418 2.414 0 50 DEAA CCCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1 2846600 JTPOSVRSMKXGFG-UHFFFAOYSA-N 318.358 2.037 0 50 DEAA CCCN1CCC[C@@]2(CCCN2Cc2cnn(CC)c2)C1=O 2356163687 NOQIKACWYGBCHC-QGZVFWFLSA-N 304.438 2.270 0 50 DEAA COC(=O)[C@@H]1C(=O)OC(C)(C)[C@H]1[C@H](C)C(=O)c1ccccc1 4062177 GKFCOOTYWRPLRI-UHTWSYAYSA-N 304.342 2.246 0 50 DEAA biogenic O=C(NC[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)no1 6746384 NKHBGFFFTHOPDI-NSHDSACASA-N 307.737 2.299 0 50 DEAA Cc1ccc(NC(C)C)c(C(=O)N2CCC(C(N)=O)CC2)c1 55255134 RLQHSSNXXJZLSX-UHFFFAOYSA-N 303.406 2.153 0 50 DEAA C[C@]1(C(=O)Nc2cn[nH]c2)CCCN(C(=O)c2ccccc2)C1 173083732 AMUUSAAZOKIPET-KRWDZBQOSA-N 312.373 2.291 0 50 DEAA CCc1ocnc1C(=O)N(C)C[C@H]1Cc2ccccc2CN1C 67473005 WSNUEUOUTRUNQP-OAHLLOKOSA-N 313.401 2.366 0 50 DEAA CCn1cnnc1[C@@H]1CN(Cc2cccc(C(C)C)n2)CCO1 328623614 BYZJTUFQIBPRHS-INIZCTEOSA-N 315.421 2.390 0 50 DEAA C[C@@H](Oc1cccc(-c2ccc(C(=O)N(C)C)cc2)c1)C(N)=O 67786540 KKSYZFPZEFACMZ-GFCCVEGCSA-N 312.369 2.308 0 50 DEAA Nc1nc2c(s1)[C@H](c1cccc3cccnc13)CC(=O)NC2 65529378 FOSVGHONXQHFPX-NSHDSACASA-N 310.382 2.425 0 50 DEAA Cc1noc2nc(C3CC3)cc(C(=O)N3CCc4n[nH]cc4C3)c12 408019906 GQXJFVPFMGIEAX-UHFFFAOYSA-N 323.356 2.330 0 50 DEAA CN(Cc1ccccc1)c1ncccc1CNC(=O)C1(N)CCC1 67434627 SDHVEPUEEDNNDL-UHFFFAOYSA-N 324.428 2.216 0 50 DEAA CCc1nc(C)c(C(=O)NCc2noc(-c3ccco3)n2)o1 67955613 IBYSCDVIGDUJMY-UHFFFAOYSA-N 302.290 2.118 0 50 DEAA Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2COCCO2)cc1 606444888 VUOAYUMTGQBLSJ-AWEZNQCLSA-N 318.398 2.150 0 50 DEAA CC(C)CNC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1F 141214256 OWHQNPLKTOUKJQ-LBPRGKRZSA-N 309.385 2.128 0 50 DEAA CCn1ccnc1CN1CC[C@H](CNC(=O)C2CCCCC2)C1 67788272 PVHHYCOUFKNEBR-OAHLLOKOSA-N 318.465 2.421 0 50 DEAA CCn1nc(CNC(=O)c2ccnc(NC)c2)c2ccccc21 65383297 KKBOUUDQMWQHSG-UHFFFAOYSA-N 309.373 2.423 0 50 DEAA COc1cccc([C@H](C)NC(=O)N[C@H]2CCc3c[nH]nc3C2)c1 332115725 DEQBWYWWWBYZRY-FZMZJTMJSA-N 314.389 2.336 0 50 DEAA CO[C@]1(C)C[C@@H](NC(=O)N2CC[C@@H](c3nccn3C)C2)C1(C)C 332763876 VZFKUMLJDWBEDU-PBFPGSCMSA-N 320.437 2.123 0 50 DEAA CCn1cc(CN(C)Cc2ccc(OC)c(C(=O)O)c2)cn1 215060613 UUOCEOBVIJVXHY-UHFFFAOYSA-N 303.362 2.242 0 50 DEAA COc1ncccc1C(=O)Cn1cnc2c(C)csc2c1=O 239882035 CZYKODQBNRCWCP-UHFFFAOYSA-N 315.354 2.053 0 50 DEAA CC1CCN([C@H](C)CNC(=O)NCc2cccc(CO)c2)CC1 242339278 ZGNFEIHRUFHSGX-OAHLLOKOSA-N 319.449 2.099 0 50 DEAA O=C1NCCN1[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 361127054 PDOLGXSKRKRYAP-INIZCTEOSA-N 310.401 2.224 0 50 DEAA O=C(COc1ccc2c(c1)CCC2)N1CC[C@]2(CCOC2)C1 153493418 NXEAHGLTBCMWGN-SFHVURJKSA-N 301.386 2.193 0 50 DEAA CCCn1ccnc1CN1CCCN(Cc2cccnc2)CC1 215407624 KCAFCOQYNILGNN-UHFFFAOYSA-N 313.449 2.396 0 50 DEAA Fc1ccc(N2CC[C@@H](NCc3cnc4cnccn34)C2)cc1 414579535 JCPWEDLJXWOZAC-CQSZACIVSA-N 311.364 2.237 0 50 DEAA C[C@H]1COCCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)C1 378261364 JWNIYJMGXXHAMT-LLVKDONJSA-N 320.414 2.229 0 50 DEAA CN(C)c1cccnc1CNc1ncnc2c1ncn2C1CC1 292879251 YREZBCHKHGPODM-UHFFFAOYSA-N 309.377 2.234 0 50 DEAA CN1C[C@H](NC(=O)N(C)CCSc2ccccc2)CCC1=O 426489859 CTJWJLRJLFACLI-CYBMUJFWSA-N 321.446 2.041 0 50 DEAA N[C@@H]1CCCCN(C(=O)c2nc3ccc(Cl)cn3c2F)C1 82108943 SJORMYLVWCKGAY-SNVBAGLBSA-N 310.760 2.080 0 50 DEAA COC(=O)CCc1nc([C@]2(c3ccc(F)cc3)CCOC2)no1 20911922 IHGGAOKDXUJWLP-MRXNPFEDSA-N 320.320 2.021 0 50 DEAA Cc1nonc1[C@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C 82139303 KRVDKDRLEZTNSA-CQSZACIVSA-N 317.393 2.025 0 50 DEAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)cc1 91593990 LSFBMQWGJADIDQ-DLBZAZTESA-N 312.413 2.468 0 50 DEAA OC[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1CN1CCCC1 91548026 MJEXDGFIMWSGKR-HZPDHXFCSA-N 308.853 2.476 0 50 DEAA COc1ccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c(C)n1 162829847 JVIWZNFOJQYFSJ-VIFPVBQESA-N 303.366 2.183 0 50 DEAA CC[C@H](C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccccc1OC 230210996 QLQLWCMBQYEFED-SMDDNHRTSA-N 317.389 2.222 0 50 DEAA CCc1nnc(CNC(=O)[C@@H]2CCOc3ccccc3C2)s1 95524218 FXNRSQOBODZTLR-GFCCVEGCSA-N 317.414 2.358 0 50 DEAA Cc1cnc(CNC(=O)Nc2cc3c(cc2C)OCCO3)cn1 97173352 JLBNGNWPULQKAT-UHFFFAOYSA-N 314.345 2.186 0 50 DEAA Nc1nnc(CCCNc2nccc(-c3ccccn3)n2)s1 96153701 CLEXRTNOWGIORU-UHFFFAOYSA-N 313.390 2.017 0 50 DEAA C[C@@]1(F)CCCN(C(=O)Nc2cccnc2N2CCOCC2)C1 296415559 JRAGUORAAXDSRU-MRXNPFEDSA-N 322.384 2.274 0 50 DEAA CCc1nc(CNC(=O)N2CC(C)(C)[C@H]2c2cccnc2)n[nH]1 297497165 NXYFOPQHIMIISS-CQSZACIVSA-N 314.393 2.055 0 50 DEAA O=C(c1cn2c(n1)COCC2)N(CCC(F)(F)F)CC1CC1 626032133 XLMVFUGHNYHAJA-UHFFFAOYSA-N 317.311 2.218 0 50 DEAA CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCc1ccc(O)nc1)CC2 299746497 XTKDQUBWDXPHIE-LBPRGKRZSA-N 314.389 2.055 0 50 DEAA Clc1cccc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 299792664 GQWNSSWVAJXBQD-GJZGRUSLSA-N 304.781 2.277 0 50 DEAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3n[nH]c4ncccc34)[C@H]2C1 299772186 RUCDLFGMXVMRKV-ISTRZQFTSA-N 316.405 2.116 0 50 DEAA C[C@H](NC(=O)c1cnc(O)cn1)c1nc2c(s1)CCCC2 299766662 RHXYHENQPDXJAN-QMMMGPOBSA-N 304.375 2.009 0 50 DEAA Cc1ccccc1[C@@H]1CCCN1C[C@@H](O)CC1(O)CCOCC1 630034597 AYGVOGQJHLNBRR-WMZOPIPTSA-N 319.445 2.424 0 50 DEAA O=C(CCCn1cnnn1)NCC1(c2ccccc2)CCCC1 584893958 JKARCMMDLKPWOE-UHFFFAOYSA-N 313.405 2.082 0 50 DEAA Nc1cccc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)n1 670466670 VVUXQHZUCQPUQN-LBPRGKRZSA-N 316.430 2.120 0 50 DEAA CCOC(=O)[C@H](F)[C@@H]1CCN(Cc2c(C)nsc2C)C1 952964115 POVNOYPUBZOGAG-DGCLKSJQSA-N 300.399 2.483 0 50 DEAA COc1c(Cl)cccc1C(=O)N=c1nc[nH]n1C(C)(C)C 1875276166 YPFCRDBRAJWBRO-UHFFFAOYSA-N 308.769 2.369 0 50 DEAA Cc1nc(C(=O)NCc2ccc(N3CCCCC3)nc2)[nH]c1C 1875270495 SEASCXVVTDDIRF-UHFFFAOYSA-N 313.405 2.342 0 50 DEAA NCc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc2n[nH]cc2c1 1875358687 FVZNUULHGPAIIX-KRWDZBQOSA-N 306.369 2.439 0 50 DEAA CC(C)[C@H](NC(=O)c1cnc2cc(O)ccc2c1)c1ncon1 1332030979 UHBGWZOGZZTOKU-AWEZNQCLSA-N 312.329 2.451 0 50 DEAA CC(C)Cc1nsc(NC(=O)NC[C@H](C)Cn2cccn2)n1 1775993961 XYDMGLFOVXGWPE-NSHDSACASA-N 322.438 2.391 0 50 DEAA O=S(=O)(c1ccc(OC2CC2)cc1)N1CCOC2(CCC2)C1 1413303252 ALBAVFQHTQRWKE-UHFFFAOYSA-N 323.414 2.171 0 50 DEAA CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)NCc1c(C2CCC2)cnn1C 899791942 KILGWOJNKWATJT-SUMWQHHRSA-N 319.405 2.051 0 50 DEAA Cc1cc(F)c2c(c1)CCCN2S(=O)(=O)Cc1ccno1 1434544979 JZYAVQSDCNGZHG-UHFFFAOYSA-N 310.350 2.405 0 50 DEAA COc1ccc(-c2nnc(N(C)C[C@@H]3CCCN3C)o2)cc1 641639492 IPWWFWBJDXHGCM-ZDUSSCGKSA-N 302.378 2.276 0 50 DEAA C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(F)cc1Br 193564728 WCGFRPUOHPISCL-PELKAZGASA-N 315.186 2.202 0 50 DEAA CO[C@H](C)CS(=O)(=O)N1CCCC[C@@H]1c1nccs1 195329252 ZGATUJAQOSNJNR-GHMZBOCLSA-N 304.437 2.035 0 50 DEAA C=CC(=O)N(CC)CC(=O)N1CCc2c(C)cc(C)cc2C1 907511909 PSNNSJBZZOZQFY-UHFFFAOYSA-N 300.402 2.223 0 50 DEAA COc1ccc2cc(CN3CC[C@@](O)(c4cnn[nH]4)C3)ccc2c1 583617438 NRKHQRUJCDDCEY-SFHVURJKSA-N 324.384 2.060 0 50 DEAA Cc1cc2occ(C(=O)NC[C@H]3CCCC(=O)N3)c2cc1C 684079554 ATAZMYOBFSTAKG-GFCCVEGCSA-N 300.358 2.448 0 50 DEAA Nc1ncccc1CN1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)C1 222026772 GJERRUGITWZRPQ-CABCVRRESA-N 315.348 2.103 0 50 DEAA O=C(NCC1(C(=O)O)CCOCC1)c1ccc(Cl)s1 138136295 CEMBXJBAFZYUPE-UHFFFAOYSA-N 303.767 2.013 0 50 DEAA CCn1nc(C)c(CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)n1 1615045298 FYUBDPFELZKZNO-JTQLQIEISA-N 300.362 2.032 0 50 DEAA O=S(=O)(NCCCc1nc2ccccc2[nH]1)c1ccccc1 5235888 JBUQFBZANMXOJV-UHFFFAOYSA-N 315.398 2.474 0 50 DEAA CCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2OC)n1 5154921 XSJFKXXWBREMEH-UHFFFAOYSA-N 319.386 2.072 0 50 DEAA O[C@@H]1CCCN(Cc2nc(Cc3ccccc3Cl)no2)C1 12093778 IRPICWLFKBEIOA-GFCCVEGCSA-N 307.781 2.271 0 50 DEAA CC(C)(C)N1CC[C@@H](NC[C@H](O)c2ccc(Cl)cc2)C1=O 1647565716 UNBKAOKIFSRAHZ-KGLIPLIRSA-N 310.825 2.362 0 50 DEAA CS(=O)(=O)N1CCO[C@H](Cc2cccc3ccccc23)C1 14978032 QJJYYEPYZAQUER-OAHLLOKOSA-N 305.399 2.043 0 50 DEAA C[C@@H](c1cccc(-c2n[nH]c(CCC(N)=O)n2)c1)N1CCCC1 1857721410 NMRLJRAZLIDGOM-LBPRGKRZSA-N 313.405 2.046 0 50 DEAA Fc1cccnc1N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857730150 ZFEDUUREKDVSKB-NVXWUHKLSA-N 313.376 2.483 0 50 DEAA COc1cc(C(=O)O)cc(-c2ccc([C@H]3CNC(=O)C3)cc2)n1 1875245173 NLJXZFFLKGYMBH-CYBMUJFWSA-N 312.325 2.059 0 50 DEAA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)C[C@H]1CCC1(F)F 606444448 MRCYFAJOFXUUDL-GZMMTYOYSA-N 322.377 2.187 0 50 DEAA O=C1O[C@H](CC(=O)N2CCO[C@H]3CCCC[C@H]32)c2ccccc21 230214608 HZICXAGCGIJXSW-OWCLPIDISA-N 315.369 2.458 0 50 DEAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC(CN)CC1 237491390 NCOJSRPUPPMYHJ-SNVBAGLBSA-N 314.788 2.444 0 50 DEAA CCNC(=O)C1(NC(=O)CCOc2ccccc2)CCCC1 241946702 UNGVYASMDXIVSN-UHFFFAOYSA-N 304.390 2.021 0 50 DEAA O=C(N[C@H]1CC[C@H](CO)CC1)[C@@H]1CCCN1Cc1ccccc1 152245962 OHRAXFYBCRVZEE-KSZLIROESA-N 316.445 2.318 0 50 DEAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cc(O)ccc3F)CC2)C1 1704316164 YNCYTNNLGJOKTG-MRXNPFEDSA-N 323.364 2.068 0 50 DEAA CCc1ccnc(C(=O)N2CCc3occc3[C@H]2C(=O)O)c1 910203824 BVBLVYFFSCRFLW-AWEZNQCLSA-N 300.314 2.061 0 50 DEAA O=C(NCC[C@@]1(O)CCCOC1)c1ccsc1C(F)F 824090171 SOFYHIMDQXYHPR-ZDUSSCGKSA-N 305.346 2.347 0 50 DEAA Cc1sc(NC(=O)CN2CCO[C@@H]3COCC[C@@H]32)c(C)c1C 933971810 WKEMJRGARYYPIL-UONOGXRCSA-N 324.446 2.102 0 50 DEAA CN(C[C@@H]1COC(=O)O1)C(=O)c1cccc(-c2ccccc2)n1 2325874947 BUVMPIJZVJESGP-CYBMUJFWSA-N 312.325 2.356 0 50 DEAA CCn1ccc(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)n1 20602125 QEOVNDUAMYUCAX-UHFFFAOYSA-N 307.419 2.341 0 50 DEAA O=C(O)[C@H]1CCC(=O)N1Cc1ccsc1Br 395954 LUTAUIUJHFZIPL-SSDOTTSWSA-N 304.165 2.086 0 50 DEAA O=C(Cn1cnc2ccccc21)Nc1ccc2c(c1)OCCO2 420258 GOBWYPYVJDDZPT-UHFFFAOYSA-N 309.325 2.446 0 50 DEAA CSCC[C@H](N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 2571884 FHLNBHBQGFIHKH-LBPRGKRZSA-N 306.387 2.120 0 50 DEAA in-vitro Cn1cnc2nc(-c3ccc(OC[C@@H]4CCCN4)cc3)ncc21 2356162410 BFNHDZRODXMGEF-ZDUSSCGKSA-N 309.373 2.161 0 50 DEAA O[C@H](COc1ccc(Br)cc1)CN1CCCC1 4279524 OQSXCVMASFIVFI-LBPRGKRZSA-N 300.196 2.285 0 50 DEAA Cc1ccc(-c2cc(C(=O)NCCCn3ccnc3)n[nH]2)cc1 55176670 MHVGWYASLXPQTI-UHFFFAOYSA-N 309.373 2.402 0 50 DEAA Cc1cnc(N2Cc3cnc(C(C)(C)C)nc3C2)nc1N(C)C 67784354 AORPLUIUWDWSHI-UHFFFAOYSA-N 312.421 2.459 0 50 DEAA CCCN1CCN(CCNC(=O)Nc2cc(C)ccc2C)CC1 20154035 WRLLUBWPBUHIQT-UHFFFAOYSA-N 318.465 2.453 0 50 DEAA CN(C)CCc1noc(-c2c[nH]nc2-c2ccccc2F)n1 20119156 HBUCZDPDKAHICS-UHFFFAOYSA-N 301.325 2.370 0 50 DEAA CC(=O)Nc1cccc(-c2ccc(NC(=O)CN)c(F)c2)c1 67756762 AKKFPMRHGXRNNZ-UHFFFAOYSA-N 301.321 2.348 0 50 DEAA O=C(NCCn1nnc2ccccc21)c1ccc(F)c(F)c1F 20997701 QQUAKCPSJMBVLN-UHFFFAOYSA-N 320.274 2.279 0 50 DEAA 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O=C1NCCCC[C@H]1c1nc(-c2ccnc(NC3CC3)c2)no1 1875307017 UDMVLIVFOGBBFU-GFCCVEGCSA-N 313.361 2.090 0 50 DEAA O=C(NCCc1c[nH]c2ncccc12)c1c[nH]c2nccc-2c1 1875305519 VFYLMPXXDLDMKF-UHFFFAOYSA-N 305.341 2.363 0 50 DEAA Cc1ccc(O)c(C(=O)N2CCOc3ccccc3[C@H]2CO)c1 887107448 IOCDSUCPZWKBNF-OAHLLOKOSA-N 313.353 2.269 0 50 DEAA C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)O 169967224 UEGHYVKMVFFPPY-SWPVVBRQSA-N 301.264 2.398 0 50 DEAA O=C(c1ccc(N2CCCC2)nn1)N1CCOCc2ccccc21 279583130 VZLKACNFYGAENV-UHFFFAOYSA-N 324.384 2.254 0 50 DEAA Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CC23CCCC3)n[nH]1 584816361 WHODKRTXONQIBN-CQSZACIVSA-N 313.405 2.490 0 50 DEAA CCCCCOCC(=O)N[C@@H](CC(=O)OC)c1ccncc1 584908843 JRXGVZIHAPIXFE-AWEZNQCLSA-N 308.378 2.009 0 50 DEAA Cc1cc(C(=O)Nc2c[nH]nc2C(=O)OC(C)(C)C)ns1 585123788 OJSBUEVTQAGXAA-UHFFFAOYSA-N 308.363 2.382 0 50 DEAA CN(C)CCc1ccc(C(=O)N[C@@H]2CCOC(C)(C)C2)cc1 408517214 CQEILQMIHYGONJ-MRXNPFEDSA-N 304.434 2.478 0 50 DEAA NC(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)C=C1CCCC1 685942216 ONUIGAHJRONRPQ-ZDUSSCGKSA-N 302.378 2.063 0 50 DEAA COc1cc(S(=O)(=O)N(C)c2cccc(C)n2)ccc1F 191019245 CQFFJIPRNPHILB-UHFFFAOYSA-N 310.350 2.363 0 50 DEAA O=C(CC1OCCCO1)N[C@@H](c1ccccc1)[C@H]1CCCO1 193075808 GKEZLPSJXGIKTC-PBHICJAKSA-N 305.374 2.176 0 50 DEAA CC(C)[C@H]1N(C(=O)c2cnc3cccnn23)CC12CCOCC2 652443151 MWKFNFHBGYDASV-OAHLLOKOSA-N 314.389 2.007 0 50 DEAA O=C(NCC1(c2ccccn2)CCC1)c1cc(O)nc(C2CC2)n1 655075065 GDNMPUXNXNXODQ-UHFFFAOYSA-N 324.384 2.306 0 50 DEAA CS(=O)(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3o2)CC1 669680848 WZNIJMOPSIQZAG-ZDUSSCGKSA-N 321.398 2.472 0 50 DEAA CCc1nccn1C[C@H](C)NCCCc1nnc2ccccn12 1506396193 PKVWDCSJRFYIFI-AWEZNQCLSA-N 312.421 2.099 0 50 DEAA O[C@@H]1CN(Cc2ccc(Cl)cc2F)C[C@H]1Cc1cnccn1 1529101323 CUTYJCITOCJRGH-MLGOLLRUSA-N 321.783 2.305 0 50 DEAA CCOC(=O)C(C)(C)O[N@]1CC1(C(F)(F)F)C(F)(F)F 1857666663 NDUIGCZKYLRNES-QGZVFWFLSA-N 309.206 2.439 0 50 DEAA O=C1CCc2c1cccc2C(=O)NCc1[nH]nc2ncccc12 1772814330 TVNUZZQABYFRSM-UHFFFAOYSA-N 306.325 2.017 0 50 DEAA COc1cccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1 5036399 FJTOMQSLTHMSNY-UHFFFAOYSA-N 323.356 2.296 0 50 DEAA O=C1C[C@@H](NC2CCSCC2)CN1Cc1ccc(F)cc1 12074182 UDFKJUDBUPIQFJ-OAHLLOKOSA-N 308.422 2.412 0 50 DEAA CSCc1ccc(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)o1 12749195 XNJDNQXNPSSLBF-MRXNPFEDSA-N 322.430 2.227 0 50 DEAA COc1cc(CNCc2ccc(F)cc2)ccc1OCCO 13730881 AYWVPBZXEZKZKU-UHFFFAOYSA-N 305.349 2.495 0 50 DEAA O=C1C[C@@H](N2CCCC2)C(=O)N1c1ccc(Br)cc1 19228500 FHCMDLDWIOTEDD-GFCCVEGCSA-N 323.190 2.177 0 50 DEAA CC(C)CN1CCN(Cc2ccc(F)cc2F)C[C@@H]1CCO 19732195 KSZHNLJUJVSPSJ-INIZCTEOSA-N 312.404 2.489 0 50 DEAA C[C@@H]1CN(C[C@@H](O)COCc2ccc(Cl)cc2)C[C@@H](C)O1 19790652 GLKNABKGKCGHNA-XJKCOSOUSA-N 313.825 2.327 0 50 DEAA CCOC(=O)[C@H](C)N[C@H]1Cc2ccccc2O[C@@H]1C(F)(F)F 1857532126 PBONCHSMRTZIPF-GAFUQQFSSA-N 317.307 2.462 0 50 DEAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)c1ccno1)CC2 1857672772 HSJVHCAKMPWSPB-UHFFFAOYSA-N 322.368 2.316 0 50 DEAA CCC[C@@]1(CO)CN(C(=O)CCc2ccsc2)CC[C@@H]1O 1857714642 FOADHCMVBSVPHM-HOCLYGCPSA-N 311.447 2.053 0 50 DEAA Cc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H]2C(=O)O)cc1C 237594833 CRCDNRMPYWPOHD-UKRRQHHQSA-N 304.390 2.030 0 50 DEAA CCc1ccc(-n2nnc(C(=O)NC[C@H]3CCCO3)c2C)cc1 11690164 WTYSAMZUFZMAFF-OAHLLOKOSA-N 314.389 2.047 0 50 DEAA CCC1(CNC(=O)c2ccc(OCC(F)(F)F)cn2)COC1 456469668 ALCNXJGYLYWMGO-UHFFFAOYSA-N 318.295 2.179 0 50 DEAA COc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)on1 154412547 QMFUODNBURGMKT-UHFFFAOYSA-N 315.373 2.262 0 50 DEAA N=c1cc[nH]c(-c2noc([C@H]3CCCN3Cc3ccccc3)n2)n1 585120628 YLWOFSPERGYLQN-CYBMUJFWSA-N 322.372 2.276 0 50 DEAA CCOC[C@H]1CCCN(C(=O)NCc2ccc(C(=O)O)cc2)C1 263514168 ZSQHJMCTNXQMFR-AWEZNQCLSA-N 320.389 2.343 0 50 DEAA CN(Cc1cnn(C)c1)CC(C)(C)CNC(=O)OC(C)(C)C 266982101 AOBKWOZAQJCBSK-UHFFFAOYSA-N 310.442 2.403 0 50 DEAA C=CC(=O)N(CC)CC(=O)N1CC(Cc2ccccc2C)C1 900998821 LLJSYASKEWPZFW-UHFFFAOYSA-N 300.402 2.030 0 50 DEAA COc1cc(F)c(S(=O)(=O)Nc2c(C)noc2C)cc1F 901874908 VINHOKOVAOQZHA-UHFFFAOYSA-N 318.301 2.379 0 50 DEAA Cc1ccoc1CNC(=O)N[C@@H](CO)CCc1ccccc1 922579528 XNEVMHIZXPZYIT-OAHLLOKOSA-N 302.374 2.381 0 50 DEAA O=C(N[C@H]1CCN(C2CCC2)C1=O)c1cc(F)cc2ccoc12 827750090 ZJLBQDVTIOASCV-AWEZNQCLSA-N 316.332 2.455 0 50 DEAA CCCN1C(=O)c2cccc3c(S(=O)(=O)N(C)C)ccc1c23 275647 YGQZUODJKKGNBT-UHFFFAOYSA-N 318.398 2.460 0 50 DEAA Cc1ccc(N2C[C@H](C(=O)Nc3nnc(C)s3)CC2=O)cc1 815510 BTGDBUDCHPEWSX-LLVKDONJSA-N 316.386 2.147 0 50 DEAA COc1ccc(NC(=O)COc2ccc(CO)cc2OC)cc1 1057292 LOMQEVAUCDPQLP-UHFFFAOYSA-N 317.341 2.214 0 50 DEAA O=C(Cn1c(NCCO)nc2ccccc21)c1cccs1 2066564 MZPLELLXHOLZAI-UHFFFAOYSA-N 301.371 2.385 0 50 DEAA COc1cc2c(cc1-c1cc(C(=O)NC3CC3)ccn1)OCO2 2356149669 OZXASRCXXHJGHH-UHFFFAOYSA-N 312.325 2.378 0 50 DEAA COC[C@@H](C)N1C[C@@H](C(=O)Nc2cc(C)ccc2C)CC1=O 4998773 AZPABJAEUJQRPH-KGLIPLIRSA-N 304.390 2.125 0 50 DEAA Cn1ccnc1SCC(=O)NC1C2CC3CC(C2)CC1C3 6700591 IAIDHDFNQZORIM-UHFFFAOYSA-N 305.447 2.453 0 50 DEAA CCOC(=O)c1coc(N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)n1 418887363 MWGJAEQIVAEHRB-IUODEOHRSA-N 319.405 2.304 0 50 DEAA c1ccc(-c2cnn3cc(CN4C[C@@H]5CNC[C@@H]5C4)cnc23)cc1 67758381 YWIXADGGMIPTCY-CALCHBBNSA-N 319.412 2.048 0 50 DEAA CCc1cc(N[C@@H](C)c2nncn2C)nc(N2CCCCC2)n1 65460785 RHASTAQRBNVVEM-LBPRGKRZSA-N 315.425 2.331 0 50 DEAA Cn1ccc(CCC(=O)N2CC[C@]3(C2)OCc2ccccc23)n1 347021999 MCFSNBHGLIAJLH-GOSISDBHSA-N 311.385 2.011 0 50 DEAA CN(C[C@H]1CCc2nccn2C1)C(=O)c1cc2ccccn2c1 328631816 RJHZYDFJXWRYHI-CQSZACIVSA-N 308.385 2.470 0 50 DEAA CCCc1ccc([C@@H](C)NC(=O)CN2CCCNCC2)cc1 65394940 VONRMRGWICDGGP-OAHLLOKOSA-N 303.450 2.112 0 50 DEAA C[C@H](C(N)=O)N1CCc2[nH]nc(-c3cccc4ccccc34)c2C1 67643674 VHJQVGOYIJWAJN-GFCCVEGCSA-N 320.396 2.462 0 50 DEAA CCOC(=O)CN1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 67655022 YVAVHFQTGVSHFE-CQSZACIVSA-N 315.373 2.479 0 50 DEAA CN(C)CCCN(C)C(=O)c1cc(COc2ccccc2)[nH]n1 67696788 JEGSMHJAOLPLCG-UHFFFAOYSA-N 316.405 2.012 0 50 DEAA Cc1cccc2c1O[C@H](C(=O)NC[C@]1(O)CCCC1(C)C)C2 331765280 DDEBRMHOGRELOE-KBXCAEBGSA-N 303.402 2.356 0 50 DEAA CO[C@@H]1C[C@@H](CO)N(Cc2cnn(-c3ccc(Cl)cc3)c2)C1 284630883 SQTFUIONIGRFCS-JKSUJKDBSA-N 321.808 2.107 0 50 DEAA C[C@H](Cn1cc(Br)cn1)C(=O)Nc1nccs1 2790835 AOXCEESACKILTC-SSDOTTSWSA-N 315.196 2.377 0 50 DEAA O[C@H]1CCCN(Cc2cnc(NCc3ccccc3)nc2)CC1 216536449 IKHJENOFPBDMNY-KRWDZBQOSA-N 312.417 2.436 0 50 DEAA O=C(O)C[C@H]1CN(C(=O)CC/C=C/c2ccccc2)CCO1 238046642 OVNWUQQULYPBLP-LWUPOJRFSA-N 303.358 2.182 0 50 DEAA O=C(Cc1cccnc1)N[C@@H]1CCCN(CCc2ccccc2)C1 11666463 QCOVMAGOWXUCFV-LJQANCHMSA-N 323.440 2.447 0 50 DEAA C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccsc1 252676075 VXYXPTDQZKJCEB-VHDGCEQUSA-N 323.462 2.014 0 50 DEAA COC[C@H]1CCN(c2ccc(-c3nc(C4CC4)no3)cn2)C1 39518526 QQBHUYPTUXOQTG-NSHDSACASA-N 300.362 2.482 0 50 DEAA O[C@@]1(CN2CCCCC2)CCN(c2cnc3ccccc3n2)C1 77553670 QZFVHNIRTPVKFH-GOSISDBHSA-N 312.417 2.057 0 50 DEAA O=C(Nc1cccc(Cl)c1)N1CCC(c2nc(=O)[nH][nH]2)CC1 253426013 XKWTVFQRAKJQJO-UHFFFAOYSA-N 321.768 2.163 0 50 DEAA Cc1ccnn1CCN1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 71767977 SKLMEQQYNOWHQQ-KRWDZBQOSA-N 318.465 2.160 0 50 DEAA 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CCOC(=O)[C@@]1(CCC(=O)OC)CCc2ccccc2C1=O 44126188 CTWHYILFYSTHFW-QGZVFWFLSA-N 304.342 2.318 0 50 DEAA C[C@H](NC1CCC2(CC1)OCCO2)[C@H](O)Cc1ccccc1 161688615 FHNSFNVLLMCVCH-WMLDXEAASA-N 305.418 2.254 0 50 DEAA CCN(Cc1ccc(C)o1)C(=O)NCc1cc(COC)n[nH]1 426489437 XNQZZGKPAXBVHB-UHFFFAOYSA-N 306.366 2.189 0 50 DEAA CN(C)c1nc(N[C@H](CO)Cc2ccc(Cl)cc2)ncc1F 95361401 APDCGFLLCGDEAE-LBPRGKRZSA-N 324.787 2.351 0 50 DEAA CC(C)c1noc(CN[C@H](C)c2ccc3c(c2)NC(=O)CO3)n1 179840232 HNUOLCIDVPLRDK-SNVBAGLBSA-N 316.361 2.375 0 50 DEAA COc1cc(-c2ccc(OC)c(OC)c2OC)nc(OC)n1 426399485 ZEFBIGWPFADWFR-UHFFFAOYSA-N 306.318 2.187 0 50 DEAA Cc1ccn2c(C(=O)NCc3nc(C)cc(C)n3)c(C)nc2c1 426649742 SCNPZBCPCCIBGQ-UHFFFAOYSA-N 309.373 2.288 0 50 DEAA O=C(Nc1ccc(OC[C@H]2CCCCO2)cc1)N1CCOCC1 95518550 LZBWDYBSCKTDIT-MRXNPFEDSA-N 320.389 2.499 0 50 DEAA COc1cc(C(=O)N2CC[C@H](N)C2)ccc1OCCC(C)C 237245309 HZWBXKVRRZRPQN-AWEZNQCLSA-N 306.406 2.293 0 50 DEAA Cc1ccc([C@@H](C(=O)NCCCn2ccc(C)n2)N(C)C)cc1 95367444 HLGZDSBTWUEJEG-KRWDZBQOSA-N 314.433 2.309 0 50 DEAA COCCC[C@@H]1CCCCN1C(=O)c1c(C)cc(C)n(C)c1=O 91757528 QGOLPHZYJFMWMU-HNNXBMFYSA-N 320.433 2.423 0 50 DEAA CCCc1cc(C(=O)N[C@@H](C(=O)O)c2cccc(F)c2)no1 95392938 UQOKTMQKHASKBN-CYBMUJFWSA-N 306.293 2.322 0 50 DEAA CSc1ccc([C@H](C(=O)O)N(C)Cc2nnc(C)o2)cc1 95388233 DWRNIJIAKGQCKS-CYBMUJFWSA-N 307.375 2.358 0 50 DEAA COc1ccc(CN(C)C(=O)N[C@H]2CCCOCC2)cc1O 181746846 GVNVEGRNQHRNMA-ZDUSSCGKSA-N 308.378 2.111 0 50 DEAA CC[C@@H](NC(=O)Cc1nc2cc(Cl)ccc2[nH]1)[C@H]1C[C@H](O)C1 244724226 MQESBHTWZFNIHV-YUSALJHKSA-N 321.808 2.425 0 50 DEAA CC[C@@H]1C(=O)NCCN1C(=O)Nc1c(F)cc(Cl)cc1F 182892854 AJADXUQRXHJIGV-SNVBAGLBSA-N 317.723 2.361 0 50 DEAA CCN(CC)CCC[C@H](C)NC(=O)N1CCc2nc(C)[nH]c2C1 534634270 KHQTVLPIHGYCBP-ZDUSSCGKSA-N 321.469 2.296 0 50 DEAA Cn1cc(SCC(=O)NCCc2ncc[nH]2)c2ccccc21 534655895 ALCVUZLNYRXUDN-UHFFFAOYSA-N 314.414 2.352 0 50 DEAA COc1cc(C(=O)NCC2(N(C)C)CCCCCC2)ccn1 534590658 HLQRVWNXISOEMH-UHFFFAOYSA-N 305.422 2.475 0 50 DEAA CCCC[C@H](CC(=O)O)NC(=O)c1nn(C)c(C)c1Cl 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2.154 0 50 DEAA Cc1cccc(OCCN2CCC[C@@]23CCCNC3=O)c1C 2356136541 YUMLOTCLTGUBIR-GOSISDBHSA-N 302.418 2.427 0 50 DEAA Cc1cccc(CN2CC[C@@H](O)[C@](CCC(C)C)(C(=O)O)C2)n1 2356144208 NBGSADYJMRSEJT-SJLPKXTDSA-N 320.433 2.464 0 50 DEAA Cc1ccc2oc(=O)n(CN3CC[C@@]4(O)CCCC[C@H]4C3)c2c1 247153293 SZQGNRBQSZUABF-KSSFIOAISA-N 316.401 2.487 0 50 DEAA C[C@H](O)CC(C)(C)CNC(=O)NCc1cc(C(F)(F)F)on1 864094198 JIYIULBVQKREFW-QMMMGPOBSA-N 323.315 2.290 0 50 DEAA C=CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100518069 OSOUGEWZMPBJEN-KUDNYVPYSA-N 309.321 2.090 0 50 DEAA O=S(=O)(/C=C/c1ccccc1)NCc1cn2c(n1)CCCC2 328596788 ZVWHGHDPVWHILQ-PKNBQFBNSA-N 317.414 2.310 0 50 DEAA CN(Cc1cscn1)c1cc(N[C@H]2CCCOC2)ncn1 328627881 GRQYVGZJAKRGHE-NSHDSACASA-N 305.407 2.160 0 50 DEAA C[C@H](CC1CCOCC1)N[C@@H]1CCO[C@@H](c2cncn2C)C1 328646182 SLXJCSZIBBWOFE-FRFSOERESA-N 307.438 2.435 0 50 DEAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)Cc1ccoc1 328633988 SZMNXGOKWJYLGS-WMZOPIPTSA-N 313.401 2.369 0 50 DEAA 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CC(C)[C@H]1CN(c2ccc(Cl)c(C(=O)O)n2)C[C@@H]1N(C)C 219562073 JKWBLKNJGPLTLB-PWSUYJOCSA-N 311.813 2.456 0 50 DEAA Cc1cc(F)ccc1S(=O)(=O)N1CC(c2ccncc2)C1 72149320 YMCVIEAKICPXLJ-UHFFFAOYSA-N 306.362 2.317 0 50 DEAA COC(=O)c1cnc(NCc2ccccc2OC(F)F)nc1 253415231 JRRCUUUHLVTTQR-UHFFFAOYSA-N 309.272 2.477 0 50 DEAA C[C@@H]1CCN(c2ccccc2S(C)(=O)=O)C[C@@H]1n1ccnc1 134171008 SDJAJCWYBBRQOE-HIFRSBDPSA-N 319.430 2.374 0 50 DEAA C[C@H](Oc1cccc(F)c1)C(=O)N1CC[C@H](C(=O)O)[C@H](C)C1 262456641 IEPIBFLXWFQPQF-SUNKGSAMSA-N 309.337 2.162 0 50 DEAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1ccc2[nH]ccc2c1 262916070 KAEHQDLRXNHDJF-CQSZACIVSA-N 316.357 2.025 0 50 DEAA Cc1ccc2c(c1)[C@H](NC(=O)c1cnc(C(=O)O)cn1)[C@@H](C)C2 263279620 OBGQRKKLGRIOQC-ZUZCIYMTSA-N 311.341 2.147 0 50 DEAA CC[C@H](C)C[C@H](C)NC(=O)NCCc1cccc(C(N)=O)c1 176282114 GADVOFWPALRNKX-STQMWFEESA-N 305.422 2.452 0 50 DEAA Cc1cc(=O)cc(C(=O)N(C)Cc2c(C)nc3ccccn23)o1 222759584 NHJNFGQWBOSXFY-UHFFFAOYSA-N 311.341 2.177 0 50 DEAA CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 41257100 PTYIEUISUKXNRX-UHFFFAOYSA-N 308.382 2.095 0 50 DEAA C[C@]1(C(=O)N2CCC(OCc3ccccn3)CC2)CCCO1 426705860 RSTAFYZSLKCHJC-QGZVFWFLSA-N 304.390 2.158 0 50 DEAA CC(C)(C)n1ccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c1 223658015 QDSCOGNIXIMHSG-UHFFFAOYSA-N 312.373 2.343 0 50 DEAA CCn1ncnc1[C@H](C)NC(=O)c1conc1-c1ccccc1 426733989 IKBYZBWSPLVREJ-NSHDSACASA-N 311.345 2.444 0 50 DEAA COc1ccc(F)c([C@H](C(=O)O)N(C)Cc2cc(C)no2)c1 95385169 JTIIIXHHUGNGSH-CQSZACIVSA-N 308.309 2.388 0 50 DEAA Cn1cc(C(=O)N2C[C@@H](CO)c3ccccc32)c(C(C)(C)C)n1 293910478 MHJNKCZDHPCTEH-LBPRGKRZSA-N 313.401 2.454 0 50 DEAA COC(=O)C[C@H]1Oc2ccccc2N(Cc2cncs2)C1=O 95377737 TUBOUFHJCBIUED-CYBMUJFWSA-N 318.354 2.000 0 50 DEAA Cc1cc(C)n(C2CN(C(=O)C3CCN(C(C)C)CC3)C2)n1 95511764 JGQJBEOQJLFZHB-UHFFFAOYSA-N 304.438 2.004 0 50 DEAA O=C(NCCc1noc(C2CC2)n1)c1cccc2cccnc12 426401523 BCHVFIOWLWTHOL-UHFFFAOYSA-N 308.341 2.468 0 50 DEAA CC(C)n1nccc1NC(=O)NCCc1nc(C2CC2)no1 95522051 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314.429 2.398 0 50 DEAA C[C@H](C(=O)NCC(F)(F)F)N1CC[C@H](c2cccc(O)c2)C1 2325804119 WGGURFTUNYJNSQ-PWSUYJOCSA-N 316.323 2.249 0 50 DEAA COc1ccc([C@@H]2N=C(N)N=C(N)N2c2ccc(C)cc2)cc1 146420 VZSYIRKPZUZAOC-OAHLLOKOSA-N 309.373 2.152 0 50 DEAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)cc1 191488 LTNYGCBXBHIYAA-AWEZNQCLSA-N 324.446 2.063 0 50 DEAA COc1cc2[nH]c(=S)n(C[C@H]3CCCO3)c(=O)c2cc1OC 425209 MWJZBNXOLWKWSA-SECBINFHSA-N 322.386 2.255 0 50 DEAA COc1cccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccccc32)c1 460410 POICVSHXFAMIHZ-SFHVURJKSA-N 311.337 2.132 0 50 DEAA O=C(c1cnco1)N1CCC2(CC1)OCCc1sccc12 2356155540 HLDCDBPGDQRNKO-UHFFFAOYSA-N 304.371 2.440 0 50 DEAA Cc1ccccc1OCC(=O)Nc1ccc(O)cc1C(=O)O 3905363 QBPFSBSNUNVEIF-UHFFFAOYSA-N 301.298 2.416 0 50 DEAA biogenic CCOc1ccc(N2C[C@@H](C(=O)N3CCCCC3)CC2=O)cc1 4834957 OUGIGHRHEXIVIA-AWEZNQCLSA-N 316.401 2.451 0 50 DEAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Oc2ccccc2)cc1 7657697 ASAMGGUPTGLUJN-UHFFFAOYSA-N 319.382 2.221 0 50 DEAA C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(N)=O)c1 9514697 GSPOBJNUBJQANO-SNVBAGLBSA-N 302.305 2.331 0 50 DEAA Cc1nn(C)c2nc3c(c(C(=O)Nc4nccs4)c12)CCC3 170622252 ALXPXHCCRDNRFK-UHFFFAOYSA-N 313.386 2.474 0 50 DEAA O=C(CCC(=O)N1CCC[C@]2(CCNC2)C1)c1ccccc1 67649907 XFFQXENNPYNXLP-GOSISDBHSA-N 300.402 2.252 0 50 DEAA CCc1oc(C(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)cc1C 328634312 MOIAVSNALGLWBW-HNNXBMFYSA-N 320.433 2.333 0 50 DEAA CCn1c([C@H]2CCCN(c3ncccc3Cl)C2)nn(C)c1=O 67921655 BHFCFQHPUUUQFX-NSHDSACASA-N 321.812 2.034 0 50 DEAA Cc1cccc(=O)n1CCCCN[C@H]1CCN2CCC[C@H]2C1 241368005 MJHQVDUIAVCTIA-IRXDYDNUSA-N 303.450 2.153 0 50 DEAA Cc1ccc(C(N)=O)cc1NC(=O)c1ccc2c(c1)ncn2C 128380162 NUNKUVPBNNCOGM-UHFFFAOYSA-N 308.341 2.233 0 50 DEAA Cc1nc(C)n(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)n1 128583266 BFSOEPUHFZLNLJ-SECBINFHSA-N 308.332 2.393 0 50 DEAA Cc1ccc(-c2nc(CNC(=O)[C@H](O)C3CCC3)co2)cc1 450068103 RKZPKMQTPSQXPW-OAHLLOKOSA-N 300.358 2.427 0 50 DEAA Cc1cc(NC[C@@H](O)COC2CCCCC2)n2nc(C)cc2n1 72430121 YMZJWCLBVOHGEI-CQSZACIVSA-N 318.421 2.468 0 50 DEAA Cc1nc([C@H]2CN(C(=O)NCC(C)(C)C(C)C)CCO2)no1 253429161 SHJFPTHDAHJNIR-GFCCVEGCSA-N 310.398 2.143 0 50 DEAA CN(C)[C@H](C(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1 133584403 NNJUTYJKPTWYHJ-KSZLIROESA-N 310.397 2.064 0 50 DEAA Cn1ccnc(N2CCC[C@H](Oc3ccccc3Cl)C2)c1=O 370982040 IJTSPUJIVSEGRY-LBPRGKRZSA-N 319.792 2.482 0 50 DEAA Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H]1CC(=O)O 261940301 LHHTZIOBPPVTPA-CQSZACIVSA-N 300.358 2.415 0 50 DEAA Cc1nc2ncnn2c2ccn(-c3ccc(Cl)cc3)c(=O)c12 72446814 OPJXGPUKGXAQQE-UHFFFAOYSA-N 311.732 2.390 0 50 DEAA c1cc2c(c(-n3ccnc3-c3cc4n(n3)CCNC4)c1)CCC2 72481357 UTJNYXOUVZJQTN-UHFFFAOYSA-N 305.385 2.328 0 50 DEAA C[C@@H](Cc1cnccn1)N(C)C(=O)CSc1ccccn1 219935857 FFTFWFDHTAOFBY-LBPRGKRZSA-N 302.403 2.053 0 50 DEAA CC[C@@H]1CN(Cc2cnc(N3CCCC3)nc2)CCN1C(C)C 72147572 KXRINWKLRLZYRV-QGZVFWFLSA-N 317.481 2.381 0 50 DEAA CCCc1cc(C(=O)NCc2cccc(OC)c2OC)[nH]n1 45394496 NHTBTPDZYSSSNQ-UHFFFAOYSA-N 303.362 2.309 0 50 DEAA Cc1nccn1-c1ccccc1CNC(=O)C(=O)c1ccco1 221394227 MCXRNMLQCXFDJD-UHFFFAOYSA-N 309.325 2.273 0 50 DEAA CCn1c(I)nc2c(Cl)ncnc21 220302329 GPMPXKNHAQGMNX-UHFFFAOYSA-N 308.510 2.104 0 50 DEAA Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2c(N)noc2C)C1 289546121 RQQIHUSYDHMBQE-GFCCVEGCSA-N 321.402 2.052 0 50 DEAA O=C(NC1(C(=O)O)CCC1)[C@@H]1CCCN(C2CCCCC2)C1 426599459 BBDURJIOHYTHNJ-CYBMUJFWSA-N 308.422 2.155 0 50 DEAA O=C(C[C@H]1CCOC1)NCCCc1nc2ccc(F)cc2[nH]1 426420385 RIBFSDXGLOKZCT-LLVKDONJSA-N 305.353 2.177 0 50 DEAA O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1csnn1 292095838 OHBASLXQANGBBQ-AWEZNQCLSA-N 315.398 2.362 0 50 DEAA CSCc1noc(CNC(=O)c2cnc3ccccc3c2)n1 222395693 JISOVEVZBGXUBS-UHFFFAOYSA-N 314.370 2.411 0 50 DEAA CCOCC(=O)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95385183 LCRVLZBNRATOIN-OAHLLOKOSA-N 305.422 2.426 0 50 DEAA Cc1ccc(F)cc1CNC(=O)C[C@H]1CN(C(C)C)CCO1 97480148 CXEVCTATLHCLML-INIZCTEOSA-N 308.397 2.250 0 50 DEAA CCn1cc(CN(C)C(=O)[C@H](c2ccccc2C)N(C)C)cn1 95513033 IJXDZBVDCWMLBQ-KRWDZBQOSA-N 314.433 2.473 0 50 DEAA CN1CCN([C@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)CC1 97578646 RLBRFCZGZUFXEN-AWEZNQCLSA-N 311.832 2.301 0 50 DEAA CC(C)c1cc(C(=O)NCc2ncn(-c3ccccc3)n2)nn1C 294178043 OEDAHMCVODUEDF-UHFFFAOYSA-N 324.388 2.054 0 50 DEAA O=C(CCc1cn[nH]c1)N(CCO)Cc1ccccc1Cl 96141372 GXBZQNJBEVDLRJ-UHFFFAOYSA-N 307.781 2.017 0 50 DEAA Cc1cc(C)cc(OCCC(=O)N2CCC[C@H](C(=O)O)C2)c1 237838640 IGGGARPQTAVQTG-AWEZNQCLSA-N 305.374 2.396 0 50 DEAA CCC1=NO[C@H](CN2CCCN(c3ccnc(C)c3)CC2)C1 244874233 WWZHUUSBLXTPKG-KRWDZBQOSA-N 302.422 2.457 0 50 DEAA O=c1c2cc(Br)ccc2ncn1[C@@H]1CCCNC1 258245802 QHIFWYRNNWOXRJ-SNVBAGLBSA-N 308.179 2.084 0 50 DEAA C[C@@H](NC(=O)c1nccn1C)c1ccc2c(c1)OCCCO2 534587849 SVMXMJWZPAGXCW-LLVKDONJSA-N 301.346 2.072 0 50 DEAA O=C(NCCCOC1CCCC1)c1ccccc1-n1cncn1 534588278 VKYGRULWUKNQQH-UHFFFAOYSA-N 314.389 2.346 0 50 DEAA CCC[C@H](C(=O)N1CCc2c(O)nc(C)nc2C1)n1cccc1 299756058 CCAUTDACFQQMMS-OAHLLOKOSA-N 314.389 2.218 0 50 DEAA Cc1nc(C(F)(F)F)ncc1CN1CCC[C@@H](N(C)C)C1 670449477 ZBYJNOQFBXCDEQ-GFCCVEGCSA-N 302.344 2.330 0 50 DEAA COc1ccc(OCC2CCN(CCn3cnnc3)CC2)cc1 670460401 SOCRRWKAWZIAAX-UHFFFAOYSA-N 316.405 2.078 0 50 DEAA CCOC(=O)c1n[nH]c(C(C)C)c1I 685948726 AVXHOTVEHYPRQG-UHFFFAOYSA-N 308.119 2.314 0 50 DEAA Cc1nn(C)c2ncc(NC(=O)N3CCCC[C@H]3[C@H](C)O)cc12 952879444 IIQKXFFLCGLNLJ-FZMZJTMJSA-N 317.393 2.044 0 50 DEAA COc1cc(CNc2ncnc3c2cnn3C(C)(C)C)on1 1875269405 RXNVQKDWZIVCCD-UHFFFAOYSA-N 302.338 2.190 0 50 DEAA C[C@]1(NC(=O)c2cnn3c2CC(F)(F)C3)CCC(F)(F)C1 1875319243 UVAAKVFOXHYSRI-NSHDSACASA-N 305.275 2.382 0 50 DEAA O=C(CC1CCCCCC1)N1CCC[C@@H]1Cn1cc(CO)nn1 1875323990 XLNZMTFCTQMAAS-MRXNPFEDSA-N 320.437 2.122 0 50 DEAA Cn1nc(C2CCCC2)cc1C(=O)N1CC[C@H](CCC(=O)O)C1 1875306147 VHJKKTAGHQZOJL-LBPRGKRZSA-N 319.405 2.405 0 50 DEAA C[C@@H](Cn1cncn1)C(=O)NCCSc1ccc(Cl)cc1 952989000 RGCZSYODRUQNEN-NSHDSACASA-N 324.837 2.476 0 50 DEAA FC(F)(F)[C@]12C[C@@H]1CN(c1nccc(-c3cnccn3)n1)C2 885739159 AHQHOXALUZPFEY-RNCFNFMXSA-N 307.279 2.322 0 50 DEAA C[C@H](C(=O)N1CCCSCC1)N1CSCCSC1 888100935 CUHDBDILOKRXFQ-LLVKDONJSA-N 306.522 2.037 0 50 DEAA Cn1cc(-c2noc(-c3coc(CO)c3)n2)c(C(F)(F)F)n1 1775994488 VEFZATVDGFKXSB-UHFFFAOYSA-N 314.223 2.241 0 50 DEAA c1ccc(O[C@@H]2CCN(c3ccnc(N4CCCC4)n3)C2)nc1 1775997033 REMLHWMXKOWEKC-CQSZACIVSA-N 311.389 2.130 0 50 DEAA Cn1cc(C(=O)N[C@@H]2CCCc3occc32)c([C@@H]2CCOC2)n1 275344906 TYFKNDQHVJGOES-BXUZGUMPSA-N 315.373 2.324 0 50 DEAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1nncn1-c1ccccc1 277054806 QULOBQWWNPUTHY-CABCVRRESA-N 314.389 2.089 0 50 DEAA CCOC(=O)C1=C(C)Nc2nc(C)nn2[C@H]1c1cccc(O)c1 170625797 BKVAUIJYTNZNNV-AWEZNQCLSA-N 314.345 2.144 0 50 DEAA Cc1ncc(C(=O)O)cc1C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 634806684 KKDATAYPNGSHBU-CWYPUQQXSA-N 312.369 2.372 0 50 DEAA Cc1noc2ncnc(N3CCN([C@@H]4C[C@H]5CC[C@H]4C5)CC3)c12 225411402 QHSLRVRKMMDVQC-MELADBBJSA-N 313.405 2.237 0 50 DEAA COC(=O)[C@H](NC(=O)c1ccc2ccccc2c1)c1cncn1C 225556477 IOJWMMPPXLGFLK-MRXNPFEDSA-N 323.352 2.217 0 50 DEAA COC1CCN(Cc2cn(CCc3ccccc3F)nn2)CC1 641188750 ZMSLLYVJURZZGY-UHFFFAOYSA-N 318.396 2.271 0 50 DEAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccon2)C1 190561461 ZLGJECPEVLRBEC-GFCCVEGCSA-N 320.418 2.034 0 50 DEAA CC(C)c1ncc2c(n1)CN(C(=O)NC1C[C@@H]3C[C@H]3C1)CC2 645048742 WNHCZTZFMXWCPF-STQMWFEESA-N 300.406 2.466 0 50 DEAA C[C@H](CC(=O)Nc1cnn(CC(=O)O)c1)c1ccc(F)cc1 647746043 WRELBOLUYUBINQ-SNVBAGLBSA-N 305.309 2.239 0 50 DEAA CC(C)(C)CN(CC(=O)O)C(=O)Cc1n[nH]c2ccccc12 659783283 PRHXNKZKTLSUCH-UHFFFAOYSA-N 303.362 2.065 0 50 DEAA O=C(O)CC1(C(=O)Nc2cccc(Cl)c2O)CCOCC1 663040205 GJAFIUWFLBKRMV-UHFFFAOYSA-N 313.737 2.256 0 50 DEAA COc1cccc([C@H](OC)c2noc(Cn3ccnc3)n2)c1 665063177 LFSJFYWFBQIQAR-AWEZNQCLSA-N 300.318 2.059 0 50 DEAA COc1ccccc1CCC(=O)Nc1nnc2nc(C)ccn12 1506421441 PQVZYJJUTLEKNC-UHFFFAOYSA-N 311.345 2.013 0 50 DEAA CN(Cc1ccc2nsnc2c1)Cc1nc(C(=O)O)co1 1529133336 JGXJWASOXVYTJO-UHFFFAOYSA-N 304.331 2.010 0 50 DEAA CO[C@H](C)c1nnc(NC(=O)c2ccc3c(c2)OCCO3)s1 1529181142 KJUTXPHOLRMKPS-MRVPVSSYSA-N 321.358 2.269 0 50 DEAA N[C@@H]1C[C@@H](NC(=O)Cc2cccc(C(F)(F)F)n2)C12CCC2 1615555455 TYSQCGFQSROBFZ-ZYHUDNBSSA-N 313.323 2.029 0 50 DEAA COc1cc(C(=O)N(C)Cc2ccncn2)c2ccccc2n1 19745402 RLHQYCWPYRDQDI-UHFFFAOYSA-N 308.341 2.306 0 50 DEAA NC(=O)c1ccc2cccc(OC[C@@H]3CC4CCN3CC4)c2n1 1857683161 DPARLELWSOLIMX-AWEZNQCLSA-N 311.385 2.197 0 50 DEAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(N(C)C)o1 1875246632 DGPUCYSOURWWMH-QMMMGPOBSA-N 310.741 2.195 0 50 DEAA COc1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 243061 OLDHEBKKRMIQFO-UHFFFAOYSA-N 307.327 2.194 0 50 DEAA in-vitro O=C(N[C@H]1CCOC2(CCCCC2)C1)N1CCC[C@H](CO)C1 305124136 OBCKMVUFBMLUKB-GJZGRUSLSA-N 310.438 2.282 0 50 DEAA CC1CCC(O)(CNC(=O)c2cccc3oc(O)nc23)CC1 621098570 SHWAHGLDIRSWFN-UHFFFAOYSA-N 304.346 2.204 0 50 DEAA CCc1cc2c(N3CCC(C(N)=O)CC3)nc(C)nc2s1 5017351 QSPKELULOWOZSV-UHFFFAOYSA-N 304.419 2.264 0 50 DEAA CC[C@H](c1ccc(F)cc1)N1CCO[C@H](c2nncn2C)C1 328644517 RSIIIXLIVMAUCM-CABCVRRESA-N 304.369 2.479 0 50 DEAA Cn1ccc(-c2noc([C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)n1 634667555 RFLARYIAUAPQKQ-NSHDSACASA-N 317.393 2.222 0 50 DEAA 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CC[C@@H]1NC(=O)NC(C)=C1C(=O)NCc1ccc(Cl)s1 67872492 LMTDQRPRIBETHO-VIFPVBQESA-N 313.810 2.383 0 50 DEAA COc1ccccc1-n1cc(C(=O)N[C@H]2CCSC2)cn1 20271411 FCBFRMOADGHKTD-LBPRGKRZSA-N 303.387 2.116 0 50 DEAA COc1ccc(C(=O)N[C@](C)(c2noc(C)n2)C2CC2)c(O)c1 436992075 UBLHPCQRAQKGFV-INIZCTEOSA-N 317.345 2.147 0 50 DEAA CCNC(=O)N1CC[C@@H](NC(=O)c2ccc(C)c3c2CCC3)C1 333374096 AILIQUAHEAGMND-CYBMUJFWSA-N 315.417 2.017 0 50 DEAA O=C(CCCc1nccs1)NCCC(=O)Nc1ccncc1 241588177 PALNCGIMBRXIOG-UHFFFAOYSA-N 318.402 2.006 0 50 DEAA Cc1nc2cc(F)ccc2cc1C(=O)N1CC[C@H](C(=O)O)C1 237746096 FZIJANIVAUYLQG-NSHDSACASA-N 302.305 2.229 0 50 DEAA CCC[C@H](C)N1CCC(n2[nH]cc(C(=O)OCC)c2=N)CC1 242273695 YFBGCDKEUDQQGB-LBPRGKRZSA-N 308.426 2.298 0 50 DEAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C[C@@H](O)c1ccc(F)cc1 285033974 ZTGGOBLDXTXKOV-TVFCKZIOSA-N 323.408 2.111 0 50 DEAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2 216085667 XNDDGDLMSSLCAW-ZDUSSCGKSA-N 300.362 2.481 0 50 DEAA CC(C)(C)[C@@H]1CCN(c2ncc(Br)cn2)C[C@H]1O 253419291 GYUSMYYTONRGNB-GHMZBOCLSA-N 314.227 2.472 0 50 DEAA Cc1c(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)oc2ccccc12 361217799 PQEGBTCDVZERSF-LLVKDONJSA-N 311.345 2.274 0 50 DEAA O=C(NCC1=CSC2=NCCN12)[C@@H]1Cc2ccccc2S1 215755794 OEQRDHBDAUVQJG-ZDUSSCGKSA-N 317.439 2.079 0 50 DEAA O=S(=O)(Nc1cccc(CN2CCCCC2)c1)c1c[nH]cn1 153843166 JNFMXSCCLCJMIY-UHFFFAOYSA-N 320.418 2.196 0 50 DEAA Cc1c[nH]nc1CN1CCC[C@H]1c1nnc2n1CCCCC2 365660369 FQKWTUMRNGLMRO-AWEZNQCLSA-N 300.410 2.373 0 50 DEAA CNC(=O)c1ccc(CN2C[C@@H](CO)Cc3ccccc32)cc1 366417208 AEMSFUURLDLMIM-HNNXBMFYSA-N 310.397 2.217 0 50 DEAA COC[C@H](N[C@@H]1CCC[C@@H](c2ccnn2C)C1)[C@H]1CCCO1 369621612 IUKQKGSZAFNCAN-PNBKFKSVSA-N 307.438 2.230 0 50 DEAA CN(C)c1ccncc1C(=O)N1CC[C@H](Oc2ccccc2)C1 373382160 HFEJYQUJSJGSPZ-HNNXBMFYSA-N 311.385 2.441 0 50 DEAA CC1(C)CN(C(=O)/C=C/c2ccc[nH]2)C[C@]2(CCCOC2)O1 373824112 PNPAFBLGZJDHGV-LXXRFIIISA-N 304.390 2.215 0 50 DEAA CN(Cc1nccn1C(F)F)C(=O)CC[C@@H]1CCCOC1 175225275 VOTJNZJJOAVYEA-NSHDSACASA-N 301.337 2.443 0 50 DEAA CC(C)c1[nH]ccc1C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C 286758263 KLCKVEFOHUYBLJ-ZDUSSCGKSA-N 307.438 2.055 0 50 DEAA Cc1nn(C)c(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1Cl 77287237 IIQRSYZKIHYDBL-JTQLQIEISA-N 307.785 2.125 0 50 DEAA CCOc1ccccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 47987110 GKUQECKSSUVEKL-UHFFFAOYSA-N 319.405 2.417 0 50 DEAA COC[C@@H]1[C@@H](NC(=O)c2ccc3scnc3c2)[C@@H]2CCO[C@@H]21 223904923 KEBNXGZMXPLSMJ-JLUCKKNBSA-N 318.398 2.076 0 50 DEAA Cc1cc(CC(=O)NCc2ccc(-c3noc(C)n3)cc2)on1 220722906 UBLZBMBHDSSIEC-UHFFFAOYSA-N 312.329 2.200 0 50 DEAA CCCN1CCC(CC(=O)NC[C@@H](O)c2cccc(F)c2)CC1 95502232 CUWVHMLQFZJTHL-QGZVFWFLSA-N 322.424 2.487 0 50 DEAA Cc1cccc([C@@H](C(=O)NCc2ncc3c(n2)CCC3)N(C)C)c1 95392119 HNWXXEARAMNHNF-SFHVURJKSA-N 324.428 2.193 0 50 DEAA O=C(NCCNc1cccnc1)c1ccccc1-n1cccn1 97797614 NTTXTRBLKCMKBM-UHFFFAOYSA-N 307.357 2.109 0 50 DEAA CCCc1nnc(N2CCC(CCC(=O)NC3CC3)CC2)o1 95370474 TZMIMGHLQUGZQL-UHFFFAOYSA-N 306.410 2.297 0 50 DEAA O=C(NCC1(O)CCCCC1)[C@@H]1CCOc2ccccc2C1 95522316 XBGGTBAZUJSALH-OAHLLOKOSA-N 303.402 2.439 0 50 DEAA CN(CCCc1cnn(C)c1)C(=O)Nc1cccc2[nH]ncc12 95513260 BHVQZFFZPZDVLE-UHFFFAOYSA-N 312.377 2.393 0 50 DEAA CCN(CCNC(=O)c1cnc(NC)nc1)c1cccc(C)c1 97360200 KTMVDXPBPCVOPQ-UHFFFAOYSA-N 313.405 2.083 0 50 DEAA Cc1cc(-c2nn(C)c(Cl)c2CN(C)Cc2ncc[nH]2)no1 97259320 LSFVXLPMFKEYKS-UHFFFAOYSA-N 320.784 2.392 0 50 DEAA Cc1ccc(NCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239309181 HGGBDSRGLYPJOH-NQLMQOPMSA-N 308.381 2.418 0 50 DEAA CCc1c(C(=O)N2CCC[C@@H](C(=O)O)C2)cnn1C(C)(C)C 299354104 ALBBTGOUEUAQBY-LLVKDONJSA-N 307.394 2.137 0 50 DEAA O=C(NCCn1ccnc1)[C@@H](Cc1ccccc1)n1cccc1 253400231 DTBNXUARHHDLGI-QGZVFWFLSA-N 308.385 2.285 0 50 DEAA CC[C@H](NC(=O)CN1CCCCCC1=O)c1cc(C)ccn1 299764686 CGIRVFPBUVQGDR-AWEZNQCLSA-N 303.406 2.360 0 50 DEAA COc1ccc(CC2=NO[C@H](C(=O)N3C[C@H]4CC[C@H]3C4)C2)cc1 299762332 UHRZPHPOHFFJQU-QRTARXTBSA-N 314.385 2.394 0 50 DEAA CC1(C)C[C@@H](CN2CCC(O)(CN3CCCC3)CC2)CCO1 828605339 MSUKMORDYYSQJJ-INIZCTEOSA-N 310.482 2.114 0 50 DEAA CC[C@@H](C(=O)N1CCN(Cc2ccccn2)CC1)n1cccc1 584902131 KRLFIWTZOUBYQO-KRWDZBQOSA-N 312.417 2.179 0 50 DEAA CN1CCC[C@@](O)(Cc2nc(-c3nccc4ccccc34)no2)C1 952885619 FFVLQNAQNLNNRZ-GOSISDBHSA-N 324.384 2.284 0 50 DEAA Cc1ccc2cc(CN[C@H](C)[C@@H]3CN(C)CCN3C)ccc2n1 952882949 LRISPSWSUZYSDG-BEFAXECRSA-N 312.461 2.267 0 50 DEAA CC(C)C[C@H](C)OC(=O)N1CCc2nc(O)c(C(=O)O)cc2C1 952993814 RPZANBQASCIPQP-JTQLQIEISA-N 322.361 2.415 0 50 DEAA Cc1cccc2nc(NC(=O)C[C@@]3(O)COC(C)(C)C3)[nH]c12 1875323666 OSHNNIDSGVXWHH-INIZCTEOSA-N 303.362 2.130 0 50 DEAA Cn1nnnc1N1CCC[C@H](CNc2ccc(Cl)cc2)C1 895905519 KYKHYTMRNHSAMT-LLVKDONJSA-N 306.801 2.192 0 50 DEAA Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc12 44804458 KWPYEKVZSDFVAI-UHFFFAOYSA-N 320.414 2.257 0 50 DEAA CC1CC(C)(CS(=O)(=O)N2CCC[C@@H](c3cc[nH]n3)C2)C1 1775989212 HHWBZNGIYBQJQW-JVWICGRDSA-N 311.451 2.355 0 50 DEAA C/C(=C\C(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O)c1ccccc1 1775956831 TXSBTVNSGGCDIX-WUENIKCWSA-N 315.413 2.478 0 50 DEAA c1ccc(O[C@H]2CCOC[C@@H]2Nc2cc(C3CC3)ncn2)nc1 1565510898 LGNQXPQELLNFSQ-GJZGRUSLSA-N 312.373 2.397 0 50 DEAA CN(Cc1ccc2nsnc2c1)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 1565510345 MZIWXQBMVZNDLB-MNOVXSKESA-N 319.386 2.151 0 50 DEAA CN(C)c1cc(C(F)(F)F)nc(NCc2cccc(N)n2)n1 1364247610 MDSXNKXVUNBLLU-UHFFFAOYSA-N 312.299 2.151 0 50 DEAA Cc1noc(C)c1CC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 275720593 VYFJNFIIVOBHAI-DOTOQJQBSA-N 315.373 2.265 0 50 DEAA O=C(N1CC[C@H](OCc2ccccn2)C1)[C@]12CCC[C@H]1OCC2 631801009 ULURXRVTTYKTLO-JZXOWHBKSA-N 316.401 2.158 0 50 DEAA Cc1cnc(NCc2ccccc2CN2CCC[C@H]2CO)nc1 170593732 SYSQRVUYCPHOBQ-KRWDZBQOSA-N 312.417 2.354 0 50 DEAA O[C@@H]1CCN(C[C@H]2CCCN(CCCc3ccccc3)C2)C1 585133483 JLLWOPMDPDTAFK-RBUKOAKNSA-N 302.462 2.398 0 50 DEAA CCN(Cc1cnn(C)c1)C[C@H]1CN(c2ccccc2)C(=O)O1 172771467 XLKYYTGKUXJVTR-INIZCTEOSA-N 314.389 2.267 0 50 DEAA Cc1nc(C(=O)NCc2cccc(C3(C)OCCO3)c2)c(C)o1 408522386 IGUWNARYOLWDMF-UHFFFAOYSA-N 316.357 2.441 0 50 DEAA C[C@H](C(=O)N[C@H](C(=O)O)c1ccccc1)N1CCCCCC1 225467503 RVNTZRACLCWQNY-HIFRSBDPSA-N 304.390 2.193 0 50 DEAA CN(c1cccnn1)C1CCN(C[C@@H](O)C2CCCCC2)CC1 191334058 WMLKVPZYUCQDNK-QGZVFWFLSA-N 318.465 2.318 0 50 DEAA COc1c(C)cnc(CN(C)C(=O)Nc2cnn(C)c2)c1C 194722321 CVORWBKSQYHYKT-UHFFFAOYSA-N 303.366 2.104 0 50 DEAA O=S(=O)(Nc1cc(Br)ccn1)c1cccnc1 195573279 SSQMZHBZEFQQEX-UHFFFAOYSA-N 314.164 2.040 0 50 DEAA CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](Cc2ccncc2)C(=O)O)C1(C)C 655601917 SRPDIDZVYNQYML-RBSFLKMASA-N 316.401 2.432 0 50 DEAA Cc1ccnn1CCN1CCN(Cc2ccc(F)cc2)CC1 1506417993 PYCFZJCNWSCBQW-UHFFFAOYSA-N 302.397 2.148 0 50 DEAA CCOC(C)(C)C(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1506424283 ZVSDYZDUZNXHLJ-HNNXBMFYSA-N 314.389 2.094 0 50 DEAA CCOC(=O)N1CCC(N2CCC[C@]3(CCC[C@H]3O)C2)CC1 1704312757 YSSANERXZCBKAN-NVXWUHKLSA-N 310.438 2.234 0 50 DEAA Cc1cc(C[C@@H]2CN(Cc3ccc4ncccc4c3)C[C@H]2O)n[nH]1 1704352567 WTVBOJNNULITJE-VQIMIIECSA-N 322.412 2.302 0 50 DEAA C=CC(=O)Nc1ccc(C(=O)N2C[C@H](C)OC(C)(C)C2)cc1 1625855265 MOZRHCMXFDYERD-LBPRGKRZSA-N 302.374 2.451 0 50 DEAA C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)CCc1cccc(Cl)c1 1772701283 JZGWHHFDKNBFGM-SWLSCSKDSA-N 320.820 2.494 0 50 DEAA CC(C)c1csc(CN2C[C@H]3CNC[C@@]3(CCC(=O)O)C2)n1 1772703300 CZYANHWBKYDIJW-WBMJQRKESA-N 323.462 2.153 0 50 DEAA CC(C)OCCNc1nc2nonc2nc1NC1CCCC1 12712136 XKTQZYUWICEJCP-UHFFFAOYSA-N 306.370 2.204 0 50 DEAA CC(=O)NCC(=O)N1CCC[C@H](CCc2cccc(F)c2)C1 12754188 MONSEWBVXGQQQB-OAHLLOKOSA-N 306.381 2.133 0 50 DEAA COCCNCC[C@H]1CCC(=O)N1CCc1ccc(Cl)cc1 14996130 MRHMLQLVFVKWDF-MRXNPFEDSA-N 324.852 2.500 0 50 DEAA CCn1nc(C)c([C@@H](C)NC(=O)CNc2cccnc2)c1C 1857682683 YUSJYGORSHEMKE-LLVKDONJSA-N 301.394 2.204 0 50 DEAA C[C@@H]1CN(C(=O)[C@H]2CCCCN2Cc2cccnc2)C[C@@H](C)O1 229630376 IVVXRIWYKCVZGV-BFYDXBDKSA-N 317.433 2.072 0 50 DEAA COCC[C@@H](CO)NC(=O)c1csc(-c2ccccc2F)n1 225624809 BQKHVOICYFXXQP-JTQLQIEISA-N 324.377 2.076 0 50 DEAA CN(Cc1cccnc1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 328622627 BKFMGPLUNCPOFW-FUHWJXTLSA-N 313.449 2.330 0 50 DEAA COc1cccc([C@H]2CN([C@H](C)c3n[nH]c(C)n3)CCO2)c1 331543323 HHEXWGBBLGKKLJ-IAQYHMDHSA-N 302.378 2.256 0 50 DEAA CC(C)[C@H]1N(C(=O)c2ccnc3c2nnn3C)CC12CCCC2 333309014 DKKSCXSUOQJYFX-CQSZACIVSA-N 313.405 2.404 0 50 DEAA CC(C)(C)OC(=O)NCCC[C@H](N)C(=O)OCc1ccccc1 238143882 PZNVOTXSTKUKSW-AWEZNQCLSA-N 322.405 2.362 0 50 DEAA Cc1nc[nH]c1CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccoc1 248057927 UWDZNKDTYURCPG-HIFRSBDPSA-N 314.389 2.048 0 50 DEAA CC(C)(C)CS(=O)(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 253426865 JAAVZPOLCZNXLY-DGCLKSJQSA-N 307.481 2.007 0 50 DEAA Cn1ccnc1[C@@H]1CCCN(c2nc(O)c3ccccc3n2)C1 375946531 HUPPITSFBXBPTG-GFCCVEGCSA-N 309.373 2.453 0 50 DEAA C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)/C=C/CN(C)C 266975061 BCISHNWDFJQWHO-OJDJMKEPSA-N 308.447 2.061 0 50 DEAA Cc1ccc2ncc(CN3C[C@H]4CS(=O)(=O)C[C@H]4C3)cc2c1 933722464 ZTOVTAWRGJWLAK-IYBDPMFKSA-N 316.426 2.020 0 50 DEAA C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)C1 123929924 ITAYXGFEUMHWSA-NXEZZACHSA-N 320.817 2.227 0 50 DEAA Cc1[nH]nc2ncnc(N3CCC[C@@H](NCc4ccccc4)C3)c12 2325780430 DYWRBYINPYPGTN-OAHLLOKOSA-N 322.416 2.420 0 50 DEAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H]1c1ocnc1C(=O)O 2325808194 DKWZXLCMJCHHCQ-SDDRHHMPSA-N 322.361 2.242 0 50 DEAA C[C@@H](C(=O)NC(N)=O)N1C[C@@H](c2ccccc2)Cc2ccccc21 2325839607 ZFTALFKNKWANSS-BBRMVZONSA-N 323.396 2.416 0 50 DEAA COC(=O)[C@H](c1ccsc1)n1nc(-c2cccs2)oc1=O 225570222 KLYRYSZLFGEWEP-JTQLQIEISA-N 322.367 2.389 0 50 DEAA OC[C@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1 757858 FLIYQTMRXQXXTN-SFHVURJKSA-N 302.462 2.398 0 50 DEAA Cc1ccc2c(c1)N(CC(=O)Nc1ccccc1F)C(=O)CO2 1362083 QYJCQVXDHIVKSX-UHFFFAOYSA-N 314.316 2.498 0 50 DEAA CC1=C(C)C[C@H](C(=O)NC2CCN(C(C)C)CC2)[C@@H](C(=O)O)C1 6729001 WZWKTLYYSCPGSV-HOTGVXAUSA-N 322.449 2.423 0 50 DEAA CC1(C)C[C@@H](NCc2noc(C3CCOCC3)n2)C(C)(C)O1 119830179 PDYKHTBHYMXWBD-GFCCVEGCSA-N 309.410 2.399 0 50 DEAA CN1CCC(Cc2noc(-c3nn(C)c4c3CCCC4)n2)CC1 67935207 ZKBJZMZIEQCYOT-UHFFFAOYSA-N 315.421 2.233 0 50 DEAA Cc1noc([C@H](N=c2nc(C(C)C)[nH]s2)C2CCOCC2)n1 328609774 FUEKMOLXQXTHEX-LLVKDONJSA-N 323.422 2.355 0 50 DEAA CCCN1CCC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2CC)C1 229434622 DWWHPCVQOUODLW-CVEARBPZSA-N 318.465 2.483 0 50 DEAA Cc1c(Cl)c(C(=O)N2CCC(Cc3ncc[nH]3)CC2)nn1C 425297254 AYBSYWCVZAWGKB-UHFFFAOYSA-N 321.812 2.200 0 50 DEAA Cc1noc([C@H](C)NS(=O)(=O)c2cc(F)c(C)cc2F)n1 331056074 KWZWEJRNLLULHU-ZETCQYMHSA-N 317.317 2.004 0 50 DEAA O=C([C@H]1CCCO1)N1CCN(C/C=C/c2ccccc2)CC1 20470460 IYHTXLDSZXHJHW-IOMDMTNGSA-N 300.402 2.023 0 50 DEAA CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CC(=O)O 441228904 IOWGYHGLVGYIQG-BBRMVZONSA-N 305.422 2.007 0 50 DEAA Cc1ccc(NCCNC(=O)Nc2cccc(F)c2C)nn1 65365427 ZAQRIPAWOHWPGF-UHFFFAOYSA-N 303.341 2.466 0 50 DEAA Cc1ccc(CS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1 332604625 OFPZVZRLTIJAHR-UHFFFAOYSA-N 319.382 2.444 0 50 DEAA COc1ccc2c(CC(=O)N3CC[C@@](C)(C(=O)O)C3)coc2c1 237267509 UXXLNYHIGXLZLQ-QGZVFWFLSA-N 317.341 2.307 0 50 DEAA CC(C)(C)c1ccc(C(=O)NCC(=O)N2CC(CF)C2)cc1 408521410 SPBYIRAHJFHGIN-UHFFFAOYSA-N 306.381 2.142 0 50 DEAA O=C([C@@H]1CCCO1)N1CCCN(CCCc2ccccc2)CC1 77426628 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315.373 2.496 0 50 DEAA Cc1ccc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)cc1O 333951663 ZFEPXKKQFLKZPG-HNNXBMFYSA-N 316.401 2.318 0 50 DEAA Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)Cn1cncn1)[C@H](C)C2 241644373 PQFUNTALSOIMQC-XJKCOSOUSA-N 313.405 2.208 0 50 DEAA Cn1c(CN2CCC[C@@H](CS(C)(=O)=O)C2)cc2ccccc21 215981140 DPLZUCVSOKNLPD-CQSZACIVSA-N 320.458 2.435 0 50 DEAA CN(C)c1ncncc1NC(=O)c1csc([C@@H]2CCCO2)n1 122396356 PMRMTJYGXFIPOM-NSHDSACASA-N 319.390 2.103 0 50 DEAA Cc1cc([C@H]2CN(CCc3ccnn3C)CCO2)ccc1F 242304982 YTTUPSMLGGIMLY-QGZVFWFLSA-N 303.381 2.484 0 50 DEAA CCNC(=O)NCc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)cc1 132558507 KLSAPUBWFMFBEB-OAHLLOKOSA-N 320.437 2.030 0 50 DEAA COc1ccc(CN2CCC[C@@H]2C(N)=O)c2c(OC)cccc12 215019970 MGTBOMUGESUTFX-CQSZACIVSA-N 314.385 2.307 0 50 DEAA COC(=O)[C@H](C[C@H]1C=NC=N1)NCC12CC3CC(CC(C3)C1)C2 214469223 KKMJGUDIUVOQTI-OJYUVLBFSA-N 317.433 2.205 0 50 DEAA CCN1Cc2ccccc2C[C@@H]1C(=O)NCCc1cccnc1 216149708 WPTYIOMHACKISM-GOSISDBHSA-N 309.413 2.187 0 50 DEAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cscn1 218989833 JOBPXMWWIRIYKG-UKRRQHHQSA-N 318.398 2.247 0 50 DEAA O=C(COc1ccc(F)c(Cl)c1)N1CC[C@@]2(CCOC2)C1 153421817 UVZJSYCWFGLXCD-OAHLLOKOSA-N 313.756 2.497 0 50 DEAA COC[C@@]1(C(=O)O)CCN(C(=O)c2ccc(Cl)c(F)c2)C1 261596956 AKAQZDCLQVSRBR-CQSZACIVSA-N 315.728 2.042 0 50 DEAA O=C1CCCN1[C@@H]1CCCN(CCOCc2ccccc2)C1 71759286 SCCRWYYUCHONSD-QGZVFWFLSA-N 302.418 2.290 0 50 DEAA C[C@@H]1CN(Cc2noc(C3CCCCC3)n2)CC[S@@](=O)C1 375950116 VSQVYBQJMKLLFH-XUSGNXJCSA-N 311.451 2.318 0 50 DEAA CCc1noc([C@@H](C)NC(=O)c2c(C)[nH]c3c2C(=O)CCC3)n1 71771384 CTRCPYWUCCNXHA-SECBINFHSA-N 316.361 2.279 0 50 DEAA CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1ccnc(C(=O)O)c1 262788044 MTTVEEZFHSZDSZ-KGLIPLIRSA-N 320.389 2.446 0 50 DEAA Cc1ccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1C 262848209 CVERXNBTYXLFMF-HNNXBMFYSA-N 305.374 2.161 0 50 DEAA OC[C@H]1CCN(c2nc(-c3ccc(F)cc3)cs2)C[C@H]1O 72148307 XHPFYQLKKZELPH-BXUZGUMPSA-N 308.378 2.129 0 50 DEAA COc1cccc(-c2nccn2[C@@H]2C=CS(=O)(=O)C2)c1OC 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2.075 0 50 DEAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1COc2ccccc21 268934634 FTNVNWWVGIFXKU-CVEARBPZSA-N 323.348 2.201 0 50 DEAA CSCC[C@@H](NC(=O)CC1Cc2ccccc2C1)C(=O)O 244716000 LGOGJQHFAYJCHP-CQSZACIVSA-N 307.415 2.114 0 50 DEAA Cc1cnc(CNC(=O)CC[C@H](C)N2CCCC2)c(C)c1O 244633101 FWNJWBCYOGJXET-ZDUSSCGKSA-N 305.422 2.285 0 50 DEAA CCNc1nc(C)c(C(=O)NCCCOc2cccnc2)s1 252507837 WUPFZAOYRYYNJI-UHFFFAOYSA-N 320.418 2.477 0 50 DEAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccc(O)nc1 253535883 VNUYNVIWCSFCLQ-UHIISALHSA-N 304.371 2.091 0 50 DEAA CSc1nc(C(=O)NCc2noc(CC(C)C)n2)cs1 299759068 NBHODGPABKHQKS-UHFFFAOYSA-N 312.420 2.377 0 50 DEAA Cc1cccc(-c2noc(CNC(=O)C[C@@H]3CCCOC3)n2)c1 299779219 QIUCLWUCTOZWDH-ZDUSSCGKSA-N 315.373 2.478 0 50 DEAA NCCCOc1ccc(C(=O)N2CC(c3nccs3)C2)cc1 299800116 VBQSSBYEOSTGGH-UHFFFAOYSA-N 317.414 2.110 0 50 DEAA CC[C@H](NC(=O)Cn1nc(C)c(Cl)c1C)c1cnn(C)c1 299776879 DVIADRVXKLHDRB-LBPRGKRZSA-N 309.801 2.154 0 50 DEAA CCS(=O)(=O)N[C@H](CCn1ccnc1C)c1ccccc1 823412712 KNCMTNOXYVAAEY-OAHLLOKOSA-N 307.419 2.262 0 50 DEAA Cc1ccc([C@@H](C)CCN2CCC(=O)N(CCN(C)C)CC2)o1 670434983 WWBXSYXSXGDKOO-HNNXBMFYSA-N 321.465 2.178 0 50 DEAA CN(C)Cc1ccc(CN(C)C(=O)CN2CCCCC2)cc1 1875321793 VSLIOFYWKPYGTC-UHFFFAOYSA-N 303.450 2.193 0 50 DEAA Cc1nn(C)cc1C(=O)NC[C@@H]1CCCN(CCCCCF)C1 952984377 UIEPPQGBRSFLTE-HNNXBMFYSA-N 324.444 2.310 0 50 DEAA CCc1cnc(CC(=O)N2CCC[C@H]2c2ccc(OC)cn2)[nH]1 890249868 YJEHELOTEKDSAD-HNNXBMFYSA-N 314.389 2.282 0 50 DEAA CCNC(=O)CCC(=O)Nc1nc(C)c(-c2ccccn2)s1 1775996391 OUNINIKHMNCUJF-UHFFFAOYSA-N 318.402 2.368 0 50 DEAA CCOc1cccnc1N1CCN(c2ncnc3[nH]ccc23)CC1 1338097264 MATISBWXBUPECX-UHFFFAOYSA-N 324.388 2.078 0 50 DEAA Cc1nnc([C@@H]2COCCN2C(=O)c2ccc3cc[nH]c3c2)o1 275521197 YAKCRWXFEQJFDK-AWEZNQCLSA-N 312.329 2.073 0 50 DEAA CN(C(=O)c1cc2c(=O)[nH]cnc2cn1)[C@H]1CCc2ccccc21 186403198 RANNRZLVLMKDQX-INIZCTEOSA-N 320.352 2.078 0 50 DEAA O=C(Cc1cc(F)c(F)cc1F)N[C@@H](CO)Cc1ccccc1 170591268 MQDNGAJDAZALPU-CYBMUJFWSA-N 323.314 2.366 0 50 DEAA CCN1C[C@H](C(=O)N[C@H](c2ccccc2)c2cccnc2)CC1=O 171222389 OFRKAXBOBCYIQE-SJLPKXTDSA-N 323.396 2.156 0 50 DEAA C[C@H]1C[C@@H](C(=O)NC2CC(N3CCOCC3)C2)CC(C)(C)C1 585123766 GCVNSUIKHBYRAR-QRNKSROTSA-N 308.466 2.428 0 50 DEAA C=CC(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 585133959 KIJWMEBISYGTJN-NSHDSACASA-N 303.312 2.445 0 50 DEAA CCN(C(=O)N1CCN(CCc2ccncc2)CC1)C(C)C 585139421 YZRJJBTYYPRTMM-UHFFFAOYSA-N 304.438 2.092 0 50 DEAA Cc1cc(C[S@](=O)CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)no1 225258374 RKFVAYILBOQTIP-WZDRWAGVSA-N 324.446 2.173 0 50 DEAA NC(=O)[C@]1(O)CCCN(Cc2ccc(-c3ccccc3)cc2)C1 225476408 WQSDNYCTBICZTB-IBGZPJMESA-N 310.397 2.166 0 50 DEAA Cc1cc([C@@H]2CN(Cc3nc(N(C)C)no3)CCO2)ccc1F 191603528 DBJHMEHCTGOFIN-AWEZNQCLSA-N 320.368 2.157 0 50 DEAA COc1ccc2c(NC(=O)[C@H](C(=O)O)C(C)(C)C)n[nH]c2c1 663041500 JOWIMPLPURSXKP-LLVKDONJSA-N 305.334 2.257 0 50 DEAA CSCCN1CCC(N[C@H](C)Cn2nc(C)cc2C)CC1 1506399973 GJQQVHOBCBICSM-CQSZACIVSA-N 310.511 2.305 0 50 DEAA Cc1ncc(Cl)c(NCCNC(=O)c2ccc(F)cc2)n1 1704314042 VXZFCOHSGOSIGG-UHFFFAOYSA-N 308.744 2.419 0 50 DEAA CCC[C@]1(C(=O)O)CCN(C(=O)c2ccccc2CC)C[C@@H]1O 1704337591 ATUUIOPKANRYQI-YJBOKZPZSA-N 319.401 2.327 0 50 DEAA Cc1nc[nH]c1CN(CCN(C)C)Cc1ccc2c(c1)CCO2 1704311931 FORCWLDEUZARQM-UHFFFAOYSA-N 314.433 2.217 0 50 DEAA CCc1nc(N)nc(N2CCC(Oc3cccnc3)CC2)c1C 1704314206 WQBJIAJPFJKWSI-UHFFFAOYSA-N 313.405 2.372 0 50 DEAA CCc1ccc(CCNC(=O)Cc2nncn2C(C)C)cc1 1615585615 FFTRFEGXTWFDHD-UHFFFAOYSA-N 300.406 2.323 0 50 DEAA O=C([C@@H]1NCCOc2ccccc21)N1CCCC(F)(F)CC1 1615550699 YZZUTFUGIIFGEI-CQSZACIVSA-N 310.344 2.358 0 50 DEAA Cc1cc(C)c2c(c1)N(S(=O)(=O)N1CCC[C@@H](C)C1)CCO2 1616029549 DZSGSLGHAIFULA-GFCCVEGCSA-N 324.446 2.479 0 50 DEAA CC(C)(C)c1ccc(C(=O)N2C[C@@H]3COCC[C@]3(CO)C2)cc1 1772702455 KGHHPVDIOWEXDR-VQIMIIECSA-N 317.429 2.455 0 50 DEAA O=C1CC[C@H](C(=O)N2CCCC2)CN1CCc1cccc(F)c1 11716783 IQGDGQKEQUTLGP-HNNXBMFYSA-N 318.392 2.229 0 50 DEAA O=C(N[C@@H]1CC(=O)N(CCCc2ccccc2)C1)c1ccncc1 11843290 QTIYTXBSKURFJL-QGZVFWFLSA-N 323.396 2.045 0 50 DEAA COCCC(=O)N[C@@H](C)c1cnc(-c2ccncc2)nc1C 12438904 LCXVZQWDYSFRPP-NSHDSACASA-N 300.362 2.061 0 50 DEAA C[C@H]1CCCN(C(=O)c2ccc(CN3CCOCC3)cc2)C1 13647744 CWQABPJTTLSBBH-HNNXBMFYSA-N 302.418 2.391 0 50 DEAA COC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2 15442620 IJHJVBXIXJMORX-UHFFFAOYSA-N 306.362 2.485 0 50 DEAA O=C1NCCCC[C@@H]1Nc1ccc(-c2nc(C3CC3)no2)cn1 19771274 QAXUTRLCXWCLAC-LBPRGKRZSA-N 313.361 2.090 0 50 DEAA C[C@H](Sc1ccccc1)C(=O)NCCCN1CCOCC1 19913942 AABBJPIOWKSCJA-AWEZNQCLSA-N 308.447 2.006 0 50 DEAA O=C(c1scc2c1CCCC2)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669855 UFTWNWVCPSJAQE-SUMWQHHRSA-N 321.442 2.098 0 50 DEAA CCn1cnnc1CCn1ccnc1-c1cccc2ccnn12 1857712872 JSTOAJGZYCVPEQ-UHFFFAOYSA-N 307.361 2.052 0 50 DEAA COc1cc(Cl)ccc1CN1C[C@@H](OC)[C@H](c2cnn[nH]2)C1 621316980 JGMCYILDIXLKDT-SWLSCSKDSA-N 322.796 2.081 0 50 DEAA O=C(c1ccncc1F)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225681270 YRGQNJUZCZFWCV-SWLSCSKDSA-N 304.296 2.308 0 50 DEAA CC(C)C[C@H]1COCCN1C(=O)Nc1ccc(C2CC2)nn1 330106223 KOULUEUAIZCSHA-ZDUSSCGKSA-N 304.394 2.633 0 50 DEAA Cc1ccc(N2CCCC2)c(C(=O)N2CCC(CN)CC2)c1 237871626 JASXDGGRGUAXHM-UHFFFAOYSA-N 301.434 2.406 0 50 DEAA O=C(O)[C@@H]1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1 136122419 YGTSVKBCQUENGM-CQSZACIVSA-N 303.358 2.412 0 50 DEAA Cc1ncc2c(n1)[C@@]1(CCCN(c3ccnc(C(=O)O)c3)C1)CC2 1704332565 SMXYHVGTGSBNBW-SFHVURJKSA-N 324.384 2.363 0 50 DEAA O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H](C2(O)CC2)C1 1772815254 MYLIPQOPUCGGBI-NSHDSACASA-N 315.822 2.266 0 50 DEAA COc1ccc(C(F)(F)C(=O)N[C@@H](C)c2ccn(C)n2)cc1 838247074 SOVGZLGHUHAPDG-JTQLQIEISA-N 309.316 2.398 0 50 DEAA CC(C)(C)c1cc(=NC(=O)[C@@H]2CC(=O)OC23CCCC3)[nH]o1 2100544613 BLIPQXKAWXUBKJ-JTQLQIEISA-N 306.362 2.208 0 50 DEAA COc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2CC(N)=O)c(C)c1 2325789638 ALLXCIYLZSRKML-ZIAGYGMSSA-N 318.417 2.364 0 50 DEAA COc1cccc(C2=CCN([C@@H](C[C@H](C)O)C(=O)O)CC2)c1 2325803356 BPQMSXRIVHAUQL-LRDDRELGSA-N 305.374 2.008 0 50 DEAA CC(C)(CCc1nn[nH]n1)C(=O)N[C@H]1C[C@H]2C[C@H]3C[C@@H](C2)[C@@H]1C3 2325807385 WJXAGZYVSIADPM-PEDHHIEDSA-N 317.437 2.099 0 50 DEAA Cc1nc2scc(C)n2c1CN1CCOC[C@@H]1c1cc[nH]n1 2325810758 BOFYABSHFGCBRZ-CQSZACIVSA-N 317.418 2.309 0 50 DEAA COc1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 63407 WLFZGQISTWRINC-HNNXBMFYSA-N 311.341 2.457 0 50 DEAA COc1ccc(C(=O)NC[C@H]2OCCc3ccccc32)c(O)c1 82496 WKBVYFRIOIMZBP-QGZVFWFLSA-N 313.353 2.445 0 50 DEAA CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 451518 GHMCUDFIEVXKMJ-JTQLQIEISA-N 300.145 2.107 0 50 DEAA Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O 1442043 ROCPTMBJHXPFIQ-UHFFFAOYSA-N 302.717 2.424 0 50 DEAA COCCOC(=O)c1c(C)oc2ccc(O[C@@H](C)C(=O)O)cc12 1782605 ODAPTVSSFGLOLG-JTQLQIEISA-N 322.313 2.396 0 50 DEAA biogenic O=C(C[C@H]1SCCNC1=O)Nc1ccc(F)c(Cl)c1 2231347 AVDLQWDSFIKVBE-SNVBAGLBSA-N 302.758 2.039 0 50 DEAA CC(C)CC[C@@]1(C(=O)O)CN(Cc2cccc(O)c2)CC[C@@H]1O 2356144470 ZGDWGHZSFSWQPL-FUHWJXTLSA-N 321.417 2.466 0 50 DEAA CCOC(=O)CNC(=O)c1cc(Br)c(CC)s1 2872620 ZFZBXLPHNISOHH-UHFFFAOYSA-N 320.208 2.366 0 50 DEAA COc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2)c1 3004907 YYQUBNYVLCPCCU-UHFFFAOYSA-N 302.305 2.089 0 50 DEAA COc1cc2[nH]c(-c3ccc(CCN)cc3)nc(=N)c2cc1OC 2356166585 DYGFFJJDNBEMQE-UHFFFAOYSA-N 324.384 2.228 0 50 DEAA OCC(CO)(CO)N(CC1CCCCC1)CC1CCCCC1 3683983 KGIKPAIYPFSART-UHFFFAOYSA-N 313.482 2.165 0 50 DEAA COc1ccccc1-n1nnc(C(=O)Nc2nccs2)c1C 4511635 WTHGAKOVKHXFHG-UHFFFAOYSA-N 315.358 2.293 0 50 DEAA O=C(CSc1cn[nH]n1)Nc1ccc(Br)cc1 6701772 RZUXRJWYBFDRNQ-UHFFFAOYSA-N 313.180 2.298 0 50 DEAA COC(=O)c1ccc(C)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 6731001 FCLUYNZFHMTKNA-QWHCGFSZSA-N 317.341 2.387 0 50 DEAA COc1cccc(N2C[C@@H](C(=O)Nc3ccncc3)CC2=O)c1 7452145 DMXLKHLWKXHPNS-LBPRGKRZSA-N 311.341 2.082 0 50 DEAA CCO[C@@H](CCNC(=O)N[C@H](C)C1(CO)CC1)C1CCCC1 864094533 XBXQKBGYGQYYDW-HIFRSBDPSA-N 312.454 2.432 0 50 DEAA CC(C)CN(C(=O)c1cc(C(N)=O)cs1)C1CCN(C)CC1 114383258 AZTDSYZPLSTJMF-UHFFFAOYSA-N 323.462 2.039 0 50 DEAA CCCCN1C[C@H](C(=O)Nc2ccccc2C(=O)OC)CC1=O 8270386 PZFMESBOSLKGID-GFCCVEGCSA-N 318.373 2.060 0 50 DEAA COCC(=O)N(Cc1cccnc1)Cc1ccccc1OC 55060825 VGVWVDSCBAGHFD-UHFFFAOYSA-N 300.358 2.265 0 50 DEAA Cc1cc(NC(=O)[C@H](C)OC(=O)Cc2ccc(Cl)cc2)no1 328591903 SECGBMZFTXGDQT-JTQLQIEISA-N 322.748 2.749 0 50 DEAA CCCOC[C@@H]1CCN(C(=O)c2ccccc2NCC(=O)O)C1 55308949 GSCRZRVUVXNLPG-CYBMUJFWSA-N 320.389 2.072 0 50 DEAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C)cccc2C)C1 10302192 VMJJNXPMOWCXNH-AWEZNQCLSA-N 324.446 2.304 0 50 DEAA C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccccc2)C1 10544098 BQZOCICZIMYZGT-HZPDHXFCSA-N 324.490 2.474 0 50 DEAA O=C(O)c1ccc2c(c1)CN(CCn1cc(Cl)cn1)CC2 312877326 LGSHGIMTJCJMMJ-UHFFFAOYSA-N 305.765 2.293 0 50 DEAA Cc1nnc([C@@H]2CN(C(=O)c3cc(C)c(C)s3)CCO2)o1 328610359 HKABCEUHFYFGKL-NSHDSACASA-N 307.375 2.270 0 50 DEAA Cc1cc(C)n(C[C@@H](C)NC2(CN3CCOCC3)CCCC2)n1 67872415 XWESWATUUPCPNA-MRXNPFEDSA-N 320.481 2.123 0 50 DEAA Cc1nnc(N2C[C@@H](F)C[C@H]2CNC2Cc3ccccc3C2)o1 328628457 HGZNQVZCGFGPPT-HOCLYGCPSA-N 316.380 2.052 0 50 DEAA CCOCCN1CCC=C([C@@H]2c3cccn3CCN2C(C)=O)C1 65508630 UJIBTANWVYJTHR-GOSISDBHSA-N 317.433 2.060 0 50 DEAA Cn1cc([C@H]2CCN(C(=O)c3scnc3C3CC3)C2)cn1 125857217 JSHPHVHWACFYNS-NSHDSACASA-N 302.403 2.384 0 50 DEAA C[C@@H](NCc1cncn1C)C1CCN(CC(F)(F)F)CC1 339159079 HKDLZTBXOYQDGX-LLVKDONJSA-N 304.360 2.173 0 50 DEAA Cc1cccc(CNc2ccc(C(=O)N3CCOCC3)cc2)n1 453078840 XRHVJSJPCYIOBV-UHFFFAOYSA-N 311.385 2.475 0 50 DEAA O=C(NCCCn1ccnc1)c1ccc(Oc2ncccn2)cc1 72441942 MKMLBWBQZQTTPH-UHFFFAOYSA-N 323.356 2.286 0 50 DEAA CC1(CNC(=O)N2CCOC[C@H]2c2nc[nH]n2)CCCCCC1 253424797 KXDNVKVMBRRAEF-ZDUSSCGKSA-N 321.425 2.248 0 50 DEAA Cc1noc([C@@H](C)N2CCCC[C@H]2Cn2nc(C)nc2C)n1 257365858 WENURLXFCYIARA-YGRLFVJLSA-N 304.398 2.202 0 50 DEAA CCOC(=O)[C@@H](C)NC(=O)N1CCC[C@@H]1c1cc(CC)no1 35511520 ZFHZMQCFVVJBTB-ZYHUDNBSSA-N 309.366 2.035 0 50 DEAA Cc1ncc2c(c1CNC(=O)CCc1ccsc1)CCNC2 72418452 SZIRDWUSOANERT-UHFFFAOYSA-N 315.442 2.346 0 50 DEAA CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)S(C)(=O)=O 32497759 SKQQVVUMQJABSN-UHFFFAOYSA-N 323.418 2.426 0 50 DEAA CCO[C@H]1CN(C(=O)c2csc(-c3ccccc3)n2)C[C@@H]1O 220220474 RHYUHECDOKZSCC-KBPBESRZSA-N 318.398 2.032 0 50 DEAA Cc1cc(CN(C)C(=O)CN2CC[C@@H](c3ccccc3)C2)no1 223385745 JJTKWVVWMDABAK-MRXNPFEDSA-N 313.401 2.431 0 50 DEAA CNC[C@@H]1CCN(C(=O)/C=C(/C)Cc2ccccc2OC)C1 178983746 YKRUNGXCFMTHNJ-SZGZABIGSA-N 302.418 2.252 0 50 DEAA COc1ccc(CCc2nc(-c3cccnn3)no2)cc1OC 82106701 DFJGRXMHKJMKQB-UHFFFAOYSA-N 312.329 2.329 0 50 DEAA Cn1ncnc1[C@@H](NC(=O)CCCOc1ccccc1)C1CC1 220185769 CSUMOGFEUVZXMJ-INIZCTEOSA-N 314.389 2.242 0 50 DEAA Cc1ccc(-c2cccc(C(=O)N3CCCC[C@@H]3CN)c2)nn1 426389513 UYSCSBPZTXWIJO-MRXNPFEDSA-N 310.401 2.405 0 50 DEAA O=C(Cn1ccc(=O)c2ccccc21)N[C@H]1COc2ccccc21 194890913 NBLPUTKRQHAZIJ-HNNXBMFYSA-N 320.348 2.251 0 50 DEAA CN(Cc1noc(C2CCC2)n1)C(=O)c1cc(C(F)F)[nH]n1 426413032 USEAMQOUINWDPX-UHFFFAOYSA-N 311.292 2.270 0 50 DEAA CCN(CCOC)C(=O)c1cc(-c2cccc(OC)c2)n[nH]1 91987304 RAEQVRBJNKOTGO-UHFFFAOYSA-N 303.362 2.194 0 50 DEAA Cc1cnn(CCC(=O)N2CCCC[C@H]2CCN2CCCC2)c1 91550503 RTRQQSSJRZKCNH-KRWDZBQOSA-N 318.465 2.449 0 50 DEAA O=C(O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O 96511566 CSYQVFIEEYDAKK-UHFFFAOYSA-N 304.302 2.349 0 50 DEAA CC[C@@H](NC(=O)CCn1ccc2cc(Cl)ccc21)C(N)=O 295722884 DFLSQNRGRKGDLK-GFCCVEGCSA-N 307.781 2.065 0 50 DEAA Cc1cnn(CC(=O)N[C@H](C)c2ccccc2-n2cccn2)c1 347194533 HDMTZYXVEZMJIO-CQSZACIVSA-N 309.373 2.255 0 50 DEAA c1nc(N2CCCC2)cc([C@H]2C[C@@H](NC3CCOCC3)C2)n1 244873200 WLRBGJHKPJLPHA-OTVXOJSOSA-N 302.422 2.091 0 50 DEAA COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 244685545 ISDSLAVHEPKUHD-OSLXHZNNSA-N 323.348 2.031 0 50 DEAA O=C(O)c1ccc(CCC(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1 299741831 GKXMKQGXYOXMKM-LSDHHAIUSA-N 303.358 2.097 0 50 DEAA O=C(O)[C@@H]1[C@H](C(=O)NCc2ccc(F)cc2)[C@H]2C=C[C@H]1C21CC1 257371679 YDBCGPQNANQNPS-TUVASFSCSA-N 315.344 2.355 0 50 DEAA COC(=O)c1cn(-c2cccc3ncccc23)cc2c(=O)[nH]nc1-2 263588319 RUPJGIRLJNSGSN-UHFFFAOYSA-N 320.308 2.000 0 50 DEAA CCOC(=O)c1ccc(NC(=O)NC[C@H](C)n2ccnc2)cc1 299790210 AUDQMGQLCWPEOS-LBPRGKRZSA-N 316.361 2.443 0 50 DEAA CCc1cccnc1C(=O)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1 271185079 FCGKUZRTLLWLPT-ZMOMAAQPSA-N 308.447 2.454 0 50 DEAA O=C(NCc1cncn1C1CC1)c1ccc(CN2CCCC2)o1 670470249 IYCYTVUNLWJPLT-UHFFFAOYSA-N 314.389 2.337 0 50 DEAA CC[C@@H](NC(=O)CCC(=O)N1CCCCCC1)c1ncc(C)[nH]1 670435809 KJGYDCMYIVOYCI-CQSZACIVSA-N 320.437 2.468 0 50 DEAA COc1cnc(F)c(NC(=O)Cn2ccc(C(F)(F)F)n2)c1 876024147 CDXMDRKXPYMCHR-UHFFFAOYSA-N 318.230 2.083 0 50 DEAA CC[C@@H](NC(=O)/C=C/CN(C)C)[C@@H](O)c1ccc(Cl)cc1 1875379025 MEXATZLRMXHBDV-CKAOXQASSA-N 310.825 2.386 0 50 DEAA C[C@H](N)[C@@H](CCc1ccccc1)NC(=O)C[C@@H]1CC(C)(C)CN1 1875348909 HAYWPHPGKWMOCP-USXIJHARSA-N 317.477 2.229 0 50 DEAA CC(C)C[C@H]1CN(C)CCN1C(=O)c1cnc2cc[nH]c2c1 886602776 ZBHPOIHNEUZJMH-AWEZNQCLSA-N 300.406 2.365 0 50 DEAA O=C(Cn1ncc2ccccc21)N[C@H]1CC[C@H](OC(F)F)C1 888090924 TVUKBPCXGRMHGO-RYUDHWBXSA-N 309.316 2.313 0 50 DEAA COc1ccc2c(c1)CCN2C(=O)Cn1ncc2cc(C)cnc21 1335239392 ZQVMJWYPIYXHBK-UHFFFAOYSA-N 322.368 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CO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)O)s2)C12CCC2 668324868 BFNMGLNBSNVJCX-NWDGAFQWSA-N 309.387 2.476 0 50 DEAA Cc1c(-c2ccccc2)noc1NC(=O)C1=NN(C)C(=O)CC1 1506416739 YMUCHLVWJKGOIT-UHFFFAOYSA-N 312.329 2.197 0 50 DEAA Cn1cc(CN2CCNC(=O)C23CCCC3)c(-c2ccccc2)n1 1506429517 TXHXGQLJZODKMN-UHFFFAOYSA-N 324.428 2.332 0 50 DEAA CCc1c(C)nn(C)c1NC(=O)c1cnn(-c2ccccn2)c1C 1529172539 NTCJMAVWGZIACX-UHFFFAOYSA-N 324.388 2.432 0 50 DEAA CCC[C@]1(C(=O)O)CCN(C(=O)Cc2ccccc2C)C[C@@H]1O 1704342118 HMOGIWGAZVKMRY-YJBOKZPZSA-N 319.401 2.002 0 50 DEAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3cnn4cccnc34)C[C@@H]21 1704337410 WVKZUIYPHSUNOF-UKPHBRMFSA-N 300.406 2.102 0 50 DEAA Cc1ccc([C@@H](CNC(=O)c2ccc3ncnn3c2)N(C)C)cc1 1615585534 CFZVRCZAOCISPL-MRXNPFEDSA-N 323.400 2.070 0 50 DEAA COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCCCC3)C2)c1 5030661 OQUISRKKVFNIMQ-INIZCTEOSA-N 318.373 2.209 0 50 DEAA C/C=C(\C)CN1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 12430146 VDOZPJABXLKLOR-HZRBCOPISA-N 319.493 2.408 0 50 DEAA Cc1nonc1Cn1ccnc1-c1ccnn1-c1ccccc1 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CCc1ccc([C@@H]2CNCCN2S(=O)(=O)c2ccco2)cc1 261614179 ASZWPQJILQAKGV-HNNXBMFYSA-N 320.414 2.177 0 50 DEAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 374415533 NDWLITITLDFYFK-DZJQYVJYSA-N 324.371 2.473 0 50 DEAA Cc1cnc(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)o1 494357694 LCHPVGVBHXWTMJ-JTQLQIEISA-N 319.327 2.376 0 50 DEAA Cc1cc(C)cc([C@H](O)CNC(=O)NCc2cccn2C)c1 225758489 DRBZGEMOPLMDBX-MRXNPFEDSA-N 301.390 2.175 0 50 DEAA C[C@@H](C(=O)O)N(C(=O)c1cncc(C(F)(F)F)c1)C1CC1 263564226 USUSZXYQXLGOMI-ZETCQYMHSA-N 302.252 2.178 0 50 DEAA O=C(NCc1ccc(C(F)(F)F)cc1)N1CCC[C@H](O)C1 45304110 DBXVWWORNILLIM-LBPRGKRZSA-N 302.296 2.372 0 50 DEAA COc1ccc(C(=O)NC[C@@H]2Cc3ccccc3CN2C)o1 222244884 MMLIWKOWOUILKU-AWEZNQCLSA-N 300.358 2.075 0 50 DEAA O=C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1 43215009 YQKHEDWUIMBPKY-UHFFFAOYSA-N 322.364 2.367 0 50 DEAA Cc1cc(C)cc(CNC(=O)N(C)CC2(CO)CCOCC2)c1 426479149 WCJCVUJSSRKTMB-UHFFFAOYSA-N 320.433 2.234 0 50 DEAA O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccccn1 49545055 SANZNKTWGHATJI-UHFFFAOYSA-N 312.354 2.006 0 50 DEAA CCCOC[C@@H]1CCN(C(=O)NCc2nc(C(C)C)no2)C1 426490183 HSNYOIJPQBEQMJ-GFCCVEGCSA-N 310.398 2.151 0 50 DEAA O=C(NCc1cccc(Cl)c1)C1(n2cnnn2)CCCCC1 44901720 ZQKPQOOQADWOTN-UHFFFAOYSA-N 319.796 2.302 0 50 DEAA CN1CCN(C(=O)c2ccn(C(F)F)n2)C[C@@H]1c1ccccc1 220233557 WLXWLCAWDGGNRV-CQSZACIVSA-N 320.343 2.407 0 50 DEAA CNC[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 178962492 HIZFRSRDECMEMJ-SNVBAGLBSA-N 301.312 2.090 0 50 DEAA Cc1cc(F)ccc1C1CCN(C(=O)c2ncn(C)n2)CC1 292951282 VGVYYIIWDMCUCL-UHFFFAOYSA-N 302.353 2.282 0 50 DEAA CC(C)c1nc(CCNC(=O)[C@@H](O)c2ccc(Cl)cc2)no1 223831827 BXJOJHDQYXSCAK-ZDUSSCGKSA-N 323.780 2.239 0 50 DEAA CN(C)CCN(Cc1ccccc1)C(=O)C[C@H]1CCCOC1 192971836 GJBABEPVRNZRDY-QGZVFWFLSA-N 304.434 2.394 0 50 DEAA COCc1nc(C)c(CNC(=O)c2ccn(C(C)C)n2)s1 426740482 LMTHLLGVPPONJB-UHFFFAOYSA-N 308.407 2.305 0 50 DEAA CC[C@H](COC)NC(=O)N1CCCN(c2ccncc2C)CC1 426712570 DLOYECLKWQWOIQ-OAHLLOKOSA-N 320.437 2.037 0 50 DEAA COc1ccc(F)c([C@@H](C(=O)O)N(C)Cc2cc(C)no2)c1 95385168 JTIIIXHHUGNGSH-AWEZNQCLSA-N 308.309 2.388 0 50 DEAA CCOCc1cc(CN2C[C@H]3CC[C@@H](C2)NC3)ccc1OC 97674455 ZQIGHHFZZSHBDF-RDJZCZTQSA-N 304.434 2.416 0 50 DEAA CN(C)Cc1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2)nc1 426683957 SONMRWNDOQCGKG-UHFFFAOYSA-N 319.430 2.061 0 50 DEAA O=C(NC1(c2cc(F)ccc2F)CC1)c1cc2ncccn2n1 97394317 JBIKTWATYNKEJS-UHFFFAOYSA-N 314.295 2.427 0 50 DEAA Cc1ocnc1C(=O)N[C@H]1CN(CC2CCC2)C[C@@H]1C(C)C 91894070 QEEIDONXKIMWGL-CABCVRRESA-N 305.422 2.469 0 50 DEAA CC[C@@H](C(=O)N(C)Cc1n[nH]c2c1CCCC2)n1cccn1 91625784 RVINWHAEMOLDAH-HNNXBMFYSA-N 301.394 2.095 0 50 DEAA O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccccn3)C(=O)[C@@H]21 247713208 LLBBWARKCUMGMJ-NKKGCODLSA-N 318.332 2.041 0 50 DEAA COc1ccnc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c1 240936821 SEHWMGORWMXEHV-KRWDZBQOSA-N 322.368 2.458 0 50 DEAA CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)c1cc(C)nc2onc(C)c12 184812856 XEUGXDSNUSWGAD-VHSXEESVSA-N 319.361 2.157 0 50 DEAA COCc1noc(CNC(=O)N(C)[C@@H](C)c2ccccc2)n1 534661232 QIOBYKJFLNCOPH-NSHDSACASA-N 304.350 2.119 0 50 DEAA COC(=O)[C@@H]1CCCN1c1ncnc(C(F)(F)F)c1Cl 261494839 LDJUQDZREVHCJJ-LURJTMIESA-N 309.675 2.291 0 50 DEAA N[C@H]1CCCN(c2cc(C(F)(F)F)nc(N3CCCC3)n2)C1 534641412 DFTDJXRGIOHLSN-JTQLQIEISA-N 315.343 2.023 0 50 DEAA CC(C)c1nnsc1CNC(=O)[C@H](C)n1cc(Cl)cn1 299764024 JGMGYYBBDTYOMN-QMMMGPOBSA-N 313.814 2.389 0 50 DEAA Cc1csc(CCCNC(=O)C2(Cn3ccnc3)CC2)n1 299755902 AGZLMPXPGPVUQC-UHFFFAOYSA-N 304.419 2.177 0 50 DEAA Cc1nc([C@@H](C)NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)n[nH]1 670465079 YSZGFGSLANWLOT-SECBINFHSA-N 315.352 2.462 0 50 DEAA CC(C)Oc1cccc(CC(=O)Nc2c[nH]nc2C(=O)O)c1 585134757 JADJSBIDNJHARN-UHFFFAOYSA-N 303.318 2.076 0 50 DEAA O=C(O)[C@@H](NC(=O)N1CCC2(CCCO2)CC1)c1ccccc1 670447698 IYPGYOBIHZZZOX-AWEZNQCLSA-N 318.373 2.167 0 50 DEAA Cc1ccc(CN(C)C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)nc1 1875293486 RVZNSABUGIWHRK-NEPJUHHUSA-N 314.389 2.408 0 50 DEAA Cc1ccc([C@H]2CN(c3nc(=N)[nH]c4c3CCCC4)CCO2)o1 1875266444 AOQYBWAEYFBXOH-OAHLLOKOSA-N 314.389 2.247 0 50 DEAA CC(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2CCO)[nH]1 1875298251 UCLIYMWJQDVJTP-OAHLLOKOSA-N 312.369 2.167 0 50 DEAA C[C@]12COC[C@@H]1CN(c1cc(C(F)(F)F)cc3ncnn13)C2 1875320448 DTHLBNJNLUOZPR-GWCFXTLKSA-N 312.295 2.221 0 50 DEAA CS[C@@H](C)C(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1 952962123 APPCQUSAGVNHQG-NSHDSACASA-N 309.435 2.185 0 50 DEAA Cc1c(C(=O)N2CCOC[C@@H]2CC2CC2)[nH]c2c1C(=O)CCC2 886459952 FFRITONTJXGIHI-ZDUSSCGKSA-N 316.401 2.483 0 50 DEAA Cc1cccc2nc(N[C@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)oc12 888095624 VMCRQZGAXSVOCP-WHOFXGATSA-N 315.373 2.374 0 50 DEAA CN(C[C@@H]1CCCC[C@@H]1O)c1ncc(Br)cn1 272240445 QWNDDPORQDPQLK-ONGXEEELSA-N 300.200 2.226 0 50 DEAA COC(=O)c1cc(Br)c(O)c(Br)n1 95496012 OYLHPMFLGROSRR-UHFFFAOYSA-N 310.929 2.099 0 50 DEAA in-vitro CCN(CC)C(=O)C1CCN(C(=O)c2ccc(N)c(C)c2)CC1 170681270 QETXEOHQIGYDTA-UHFFFAOYSA-N 317.433 2.298 0 50 DEAA CCOc1ncc(C(=O)N2CCCc3n[nH]cc32)cc1Cl 280004965 CBCLKXAALKTBJO-UHFFFAOYSA-N 306.753 2.450 0 50 DEAA C[C@@H]1CN(C(=O)c2cn(-c3ccccc3Cl)nn2)CCCO1 171257523 AEKZNVLRPIWLPN-LLVKDONJSA-N 320.780 2.172 0 50 DEAA CCCCCNC(=O)[C@H]1CCO[C@H]1CNC(=O)OC(C)(C)C 408520166 OOJNQYOXGUTVCZ-STQMWFEESA-N 314.426 2.223 0 50 DEAA CN(C)C[C@](C)(O)CNc1ncc(Cl)cc1Br 225599422 UDYWHSLOHVXMCL-LLVKDONJSA-N 322.634 2.222 0 50 DEAA CN1[C@H]2CC[C@@H]1CCN(C(=O)Nc1ccc3c(c1)COC3)C2 1076024356 QNANBBNMVDYOBZ-CVEARBPZSA-N 301.390 2.417 0 50 DEAA CN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)O)c1ccccc1 737388976 LAUAMEUOZBDSOB-KRWDZBQOSA-N 324.380 2.161 0 50 DEAA COC[C@@]1(C(=O)O)CCCN1C(=O)CCc1cc(C)cc(C)c1 643853821 LQTDSCOAUSLRON-GOSISDBHSA-N 319.401 2.328 0 50 DEAA COCCn1cc(NC(=O)Nc2ccc3c(c2)CCO3)cn1 194299748 UTZUWPOFTZDWEO-UHFFFAOYSA-N 302.334 2.108 0 50 DEAA O=C(NCc1nccs1)N1CCCN(c2nccs2)CC1 195117019 GUQABCQOILGWCV-UHFFFAOYSA-N 323.447 2.022 0 50 DEAA Cc1ccc2ncc(-c3noc([C@@H]4CCCc5nn[nH]c54)n3)n2c1 663157078 BIHQGIVWBQJXJN-SNVBAGLBSA-N 321.344 2.279 0 50 DEAA O=C(c1ncoc1-c1ccccc1Cl)N1C[C@H]2C[C@@]2(CO)C1 783824562 UKZUNKVQOFRXHS-HWPZZCPQSA-N 318.760 2.449 0 50 DEAA O[C@H]1CCCN(c2ccnc(N3CCc4sccc4C3)n2)C1 1529104613 QNRWHVRQUJEKBD-ZDUSSCGKSA-N 316.430 2.062 0 50 DEAA OC[C@]12CCCN[C@@H]1CN(Cc1ccc(Cl)s1)CC2 1704298180 GRQNOXCIVKAGDY-TZMCWYRMSA-N 300.855 2.338 0 50 DEAA CC[C@@]1(O)CCC[C@@H]2CN(c3cc(NC(C)C)nc(N)n3)C[C@@H]21 1704314194 RWYATMMRKRZHHY-IIYDPXPESA-N 319.453 2.257 0 50 DEAA O=C(CCc1ccsc1)N[C@H]1COC[C@@H]1Cc1ccncc1 1613881972 OVPOJPWPDVPDKT-HOTGVXAUSA-N 316.426 2.450 0 50 DEAA C[C@H](c1cnn(C)c1)c1nc(-c2cc(Br)no2)no1 1616038350 RFAFLLSDNUBCJQ-ZCFIWIBFSA-N 324.138 2.372 0 50 DEAA CN1C(=O)CC[C@@H]1C(=O)Nc1cc(-c2cccc(F)c2)on1 1616018902 LYOBURHLPGFZLS-LLVKDONJSA-N 303.293 2.040 0 50 DEAA Cc1ccc(C(=O)N2CCN3[C@H](COC[C@H]3C3CC3)C2)c(F)c1 1616082907 QVKVICAGFKHRCX-YOEHRIQHSA-N 318.392 2.069 0 50 DEAA C[C@H]1Oc2ccccc2O[C@H]1C(=O)NOc1ccc(F)cc1 1628856557 XJACLKOGSBUKSD-MEBBXXQBSA-N 303.289 2.464 0 50 DEAA CC[C@H](NC(=O)c1ccc(O)cc1F)c1cn2cccnc2n1 1772712445 SAYCTXQFKAIATP-ZDUSSCGKSA-N 314.320 2.455 0 50 DEAA CC(C)CN1CCN(C(=O)c2cc(F)ccc2F)CCC1=O 11998595 YYLTZQHHPXUPIV-UHFFFAOYSA-N 310.344 2.295 0 50 DEAA O=C(c1csc2c1CCCC2)N1C[C@@H]2CCOC[C@]2(CO)C1 1857669412 OGPRGSIYEAGDIR-YVEFUNNKSA-N 321.442 2.098 0 50 DEAA CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC[C@H](C(=O)O)C2)c1 328429983 LSKOQRXMYWTTFE-ZJUUUORDSA-N 308.309 2.224 0 50 DEAA COc1cccc(CO[C@H](C)C(=O)N2CCC[C@H](C)[C@@H]2CN)c1 237247551 RTDKYUIJNIHSFE-VBQJREDUSA-N 320.433 2.186 0 50 DEAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc(F)c(C)c1 247963844 WJYWEHWRNSIDBW-HIFRSBDPSA-N 304.365 2.217 0 50 DEAA COC(=O)c1n[nH]cc1NC(=O)Cc1c(F)cccc1Cl 357197919 JIMNRDOAKQEKRV-UHFFFAOYSA-N 311.700 2.170 0 50 DEAA O=C(NCc1ccccc1Oc1ccccc1)[C@H]1COCCN1 153673310 FVZFZLVPNHDNTP-MRXNPFEDSA-N 312.369 2.084 0 50 DEAA CC(C)CO[C@H](C)C(=O)NCc1nnc2c(Cl)cccn12 585131100 LSUMWYBQWDEOAW-SNVBAGLBSA-N 310.785 2.060 0 50 DEAA CC1(C)Cc2cccc(CN3CCC(CC(N)=O)CC3)c2O1 159761839 OZXRKTJKPJEMOG-UHFFFAOYSA-N 302.418 2.488 0 50 DEAA Cc1c[nH]c(-c2noc(CC3CCN(CC(F)F)CC3)n2)n1 904111125 OTLUSJZPOAXYOV-UHFFFAOYSA-N 311.336 2.288 0 50 DEAA CN1C(=O)CCC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)CCC2 906920011 UMXREBYJJWUJEY-CQSZACIVSA-N 300.358 2.155 0 50 DEAA O=C(NCc1nc(=O)o[nH]1)Nc1ccc(-c2ccccc2)cc1 1256193802 IPAZKUGJMRSZNB-UHFFFAOYSA-N 310.313 2.352 0 50 DEAA c1ccc(-c2cc(N[C@H]3CCCCNC3)n3ncnc3n2)cc1 2325770978 FFCWFFPVJXLERG-AWEZNQCLSA-N 308.389 2.345 0 50 DEAA O=C(O)c1cc(C(=O)N2CCC[C@H]2c2cc(F)ccc2F)[nH]n1 2325777831 ITCLYXQOQFGSHN-ZDUSSCGKSA-N 321.283 2.363 0 50 DEAA COCCCn1ccc(=NC(=O)Nc2cc(Cl)ncc2C)[nH]1 2325781941 GAGYNMFUDVWIGG-UHFFFAOYSA-N 323.784 2.342 0 50 DEAA CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2ccc(CN)cc2)C(C)(C)[C@@H]1O 2325786311 ALXHDFJDYGYOFU-ZMSDIMECSA-N 316.445 2.257 0 50 DEAA Cc1ncn(-c2ccc(NC(=O)c3ncoc3CN)cc2)c1C 2325824505 DXXDQVGGSLKVGL-UHFFFAOYSA-N 311.345 2.188 0 50 DEAA Cc1cc(C(=O)Nc2ccnc3ccnn23)n(-c2ccccc2)n1 2325871950 AZFHIKPPMLYYDX-UHFFFAOYSA-N 318.340 2.476 0 50 DEAA O=C(CSc1nnc2ccccn12)N1CCc2ccccc2C1 3245942 ONBFIMNJWMDISZ-UHFFFAOYSA-N 324.409 2.406 0 50 DEAA O=C1C[C@@H](NCc2cccs2)C(=O)N1c1ccc(F)cc1 4476069 BDDMNUHEJNZGEY-CYBMUJFWSA-N 304.346 2.309 0 50 DEAA O=C(O)CNC(=O)COc1c(Cl)cc(Cl)cc1Cl 4543213 YDYWCJCURSHNDZ-UHFFFAOYSA-N 312.536 2.226 0 50 DEAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C(N)=O 247328314 MFGYKMKTPSIHEU-UGUYLWEFSA-N 300.402 2.259 0 50 DEAA COc1ccccc1CNc1nc2ccccc2n2nnnc12 4928408 AEAKNMDPZKIHRI-UHFFFAOYSA-N 306.329 2.293 0 50 DEAA O=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1 10372521 TXTFYWSKUVOIHZ-LLVKDONJSA-N 316.382 2.123 0 50 DEAA Cc1ccccc1NC(=O)[C@@H]1C(=O)CN(c2ccccc2)C1=O 101164388 QPFPBQVSGYOUQO-INIZCTEOSA-N 308.337 2.166 0 50 DEAA CC[C@H](C)NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100662764 BHDBPJHBGXHANO-JTQLQIEISA-N 300.358 2.182 0 50 DEAA biogenic CCCc1ccccc1NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(O)C2 121997488 ZRULEKNXCJBURW-KBPBESRZSA-N 316.401 2.092 0 50 DEAA COc1ccc(CN2CCN3CCC[C@@H]3[C@H]2C)c(OC)c1OC 22587927 CQEKBAGFAXPWRM-UKRRQHHQSA-N 320.433 2.381 0 50 DEAA CCc1noc([C@H](C)N2CCC[C@@H]2[C@H]2CCCN2C(C)=O)n1 247922971 HPWSRGRTDUJRLM-IACUBPJLSA-N 306.410 2.168 0 50 DEAA CC(C)(C)OC(=O)c1c[nH]nc1NC(=O)CCc1ccncc1 863947912 NJESPDRIZZFYTN-UHFFFAOYSA-N 316.361 2.331 0 50 DEAA O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccn([C@@H]2CCCNC2)n1 328631832 RJYAGCLTLVXMLJ-HLLBOEOZSA-N 310.401 2.094 0 50 DEAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1ncnn1C(C)(C)C 331470583 MGSUSALAIWIIIC-QLFBSQMISA-N 322.453 2.049 0 50 DEAA Cc1nccc(N2CCN(C(=O)[C@@H](C)c3ccsc3)CC2)n1 353323611 PAEBFSBXIITLGI-LBPRGKRZSA-N 316.430 2.299 0 50 DEAA COCc1nc([C@@H]2CCCCN2CCc2cscn2)n[nH]1 333395377 HQYCZJUWCGQDGV-LBPRGKRZSA-N 307.423 2.177 0 50 DEAA CC(C)N(C)Cc1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 240894835 IQGPAFGWFWCVRY-ZDUSSCGKSA-N 314.389 2.430 0 50 DEAA C[C@H](CN(C)c1nccc(C2CCCC2)n1)N1CCOCC1 71761160 HIAKHTZMOPNRAJ-CQSZACIVSA-N 304.438 2.291 0 50 DEAA CO[C@@H](C)CS(=O)(=O)Nc1ccc(NC(=O)C(C)C)cc1 253398047 KCFPTIQMFCXYEE-NSHDSACASA-N 314.407 2.058 0 50 DEAA COc1ccccc1OCCCN(C)C(=O)[C@@H]1CCCCO1 215863278 KUDZAVLPKYTPPU-INIZCTEOSA-N 307.390 2.492 0 50 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324.380 2.197 0 50 DEAA CNC(=O)[C@@H]1CCC[C@@H]1Nc1ncnc(-c2cccc(F)c2)n1 585092510 BEUIQZNCNDOBHD-OLZOCXBDSA-N 315.352 2.004 0 50 DEAA CO[C@H](C)CS(=O)(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 249422476 DJOXZJHTZBUKGR-NXEZZACHSA-N 317.373 2.262 0 50 DEAA CO[C@H]1CN(c2ccc(C(C)=O)cn2)C[C@H]1Cc1cc(C)no1 1704302631 AKIULIXVDCXFEO-ZBFHGGJFSA-N 315.373 2.275 0 50 DEAA CCCOc1ccccc1CN(CCO)Cc1cncn1C 1704325477 MRIWYBIVXMZAEK-UHFFFAOYSA-N 303.406 2.203 0 50 DEAA COC(=O)c1ccc(Br)cc1NC(=O)[C@H](C)OC 585124663 LPMDJWWZDFSCOQ-ZETCQYMHSA-N 316.151 2.209 0 50 DEAA CC(C)c1nnc2c(N[C@@H](CCC(C)(C)C)C(N)=O)nccn12 1615581459 KYWLVENEAHVMGR-NSHDSACASA-N 318.425 2.340 0 50 DEAA CC1(C)C(C(=O)N2C[C@H](Cc3ccncc3)[C@@H](O)C2)C1(C)C 1615738254 VHWIZTLAEASQON-KBPBESRZSA-N 302.418 2.126 0 50 DEAA Cc1ccc(C)c(NC(=O)C[C@@H]2N[C@H]3CCCC[C@@H]3NC2=O)c1 13999939 LQHKTXSSOCDZMI-DZKIICNBSA-N 315.417 2.031 0 50 DEAA c1cnc(-n2cccc2CN[C@H]2COc3ccccc3C2)nc1 19223049 WEWJNEZZZYNDQK-OAHLLOKOSA-N 306.369 2.361 0 50 DEAA 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O=C(O)C[C@H]1CN(C(=O)CCc2cc(Cl)cs2)CCO1 238047135 BPBLLZLTLDBLGE-JTQLQIEISA-N 317.794 2.036 0 50 DEAA Cn1ccc2c(OCC(=O)NCCc3ccccn3)cccc21 252502842 UUYOCHUQTXPSAC-UHFFFAOYSA-N 309.369 2.311 0 50 DEAA Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CC[C@H](CN)C2)cc1 299738950 ISZLMNGRRCZESC-OIISXLGYSA-N 302.418 2.270 0 50 DEAA Cc1ccc(C)c2c(O)cc(CN3CCO[C@H](CCN)C3)nc12 253536414 PYTWZGMJYHCEOD-OAHLLOKOSA-N 315.417 2.107 0 50 DEAA O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)CNCCO2 534673725 ILRFANXOBOXPLA-UHFFFAOYSA-N 309.797 2.326 0 50 DEAA O=C(Cn1cccn1)Nc1ccccc1OC[C@H]1CCCO1 828075337 LOZYIRJPHRLNPN-CYBMUJFWSA-N 301.346 2.080 0 50 DEAA OCc1ccc2c(c1)CN(C1CSCCSC1)CCO2 584892910 QUIZLYWUHTYQHY-UHFFFAOYSA-N 311.472 2.222 0 50 DEAA COCCOC1CCN([C@H]2CCN(c3ccccc3)C2)CC1 670457721 OBBJUUHJINXQMD-KRWDZBQOSA-N 304.434 2.393 0 50 DEAA O=C1OCc2ccc(-c3ccc(CN4CC[C@@H](CO)C4)o3)cc21 670450808 DNXDEFMXKODSIE-GFCCVEGCSA-N 313.353 2.431 0 50 DEAA CCn1ccc(CN(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)n1 670459234 HUIGOWHOJZIHON-AWEZNQCLSA-N 304.438 2.126 0 50 DEAA CN(CN1CCC2(CCCC2)C1=O)[C@@H]1CCCc2c1cnn2C 872591419 KVSBVKGHYHRTHD-OAHLLOKOSA-N 316.449 2.480 0 50 DEAA NC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cccs1 952879432 QNVMMEWNGUFPLY-LBPRGKRZSA-N 308.428 2.217 0 50 DEAA CCOc1ccnc(NCc2cc(C)nc(N3CCCC3)n2)n1 1875275732 DFKNNZQHHGQWMS-UHFFFAOYSA-N 314.393 2.186 0 50 DEAA CC(C)Oc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cn[nH]c1 1875311890 DFHXQRUAEXQVIG-HNNXBMFYSA-N 321.402 2.163 0 50 DEAA CCN(Cc1nc(C(C)C)no1)C(=O)c1ccnc(OC)c1 952990842 XMVMAGTZRRAJOC-UHFFFAOYSA-N 304.350 2.259 0 50 DEAA Cc1nc(CNC2CCN(c3ccc(F)cc3C)CC2)n[nH]1 952972843 GYXCPZIASWBLAC-UHFFFAOYSA-N 303.385 2.319 0 50 DEAA OC[C@@H]1CCCCN1CCNCc1coc(-c2ccccc2)n1 952873216 IVJQBPFUFKKECZ-KRWDZBQOSA-N 315.417 2.278 0 50 DEAA Cc1ccc(C(=O)N[C@H]2CCC[C@H]2Oc2cnn(C)c2)c(C)n1 888094738 CCERJAVWDYQBKZ-JKSUJKDBSA-N 314.389 2.162 0 50 DEAA NC(=O)CC1CCN(c2ccc3cc(Cl)cnc3n2)CC1 891879147 YJNDONABPYGCDY-UHFFFAOYSA-N 304.781 2.375 0 50 DEAA O=C(NCCOCC(F)(F)F)c1c(Cl)ccnc1F 1336649127 ZBGGRDCRSSZPJS-UHFFFAOYSA-N 300.639 2.183 0 50 DEAA Cc1nnc([C@H]2COCCN2C(=O)[C@@H](C)c2cccs2)o1 275515437 XPPZZUNVXCAPHS-GXSJLCMTSA-N 307.375 2.143 0 50 DEAA Cc1ccc(N2CCC[C@@H](NC[C@@H](O)c3ccccc3)C2)nn1 221740242 ILSRLTNKFCKIDP-IAGOWNOFSA-N 312.417 2.077 0 50 DEAA CCN1CCC[C@@H](NC(=O)c2cc(C)nc(C(F)(F)F)n2)C1 189200993 IHNLKVHRPNAZPZ-SNVBAGLBSA-N 316.327 2.018 0 50 DEAA O=c1n(Cc2cccc(OC(F)F)c2)nnn1-c1ccccc1 195091455 IIQSACARFPRXMY-UHFFFAOYSA-N 318.283 2.079 0 50 DEAA FC(F)(F)[C@H](Cc1nc(-c2ncccn2)no1)n1cccn1 656745032 PYYODNDMPZCJPZ-QMMMGPOBSA-N 310.239 2.069 0 50 DEAA Cc1nnc(CC(=O)N[C@H]2CCCOc3ccccc32)s1 667783959 BUUORBBSLTWZGN-LBPRGKRZSA-N 303.387 2.419 0 50 DEAA C[C@@H]1CCCN(C(=O)c2cc3c(nc2O)CCC[C@H]3O)CC1 585121909 FWBNJESFSXMTPK-IAQYHMDHSA-N 304.390 2.419 0 50 DEAA c1ccc([C@H]2COC[C@H]3CN(Cc4ccncc4)CCN23)cc1 1529189825 ZLTTZLHIUZREPG-RTBURBONSA-N 309.413 2.339 0 50 DEAA Cc1cccc(CCN2CCC[C@]3(CCc4cnc(N)nc43)C2)n1 1704303022 VUMCBHNNLXXJHU-IBGZPJMESA-N 323.444 2.285 0 50 DEAA O=C(O)[C@@H]1COCCN(Cc2cc(C(F)(F)F)ccc2F)C1 1772808916 FOZYHUPFNHFALY-JTQLQIEISA-N 321.270 2.378 0 50 DEAA CC[C@]12C[C@H]1CN(C(=O)CCn1c(CO)nc3ccccc31)C2 1772812473 LWRMGXKZSLMFNT-SCLBCKFNSA-N 313.401 2.177 0 50 DEAA CC1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 12001860 AJAGRFHHTYBASE-UHFFFAOYSA-N 322.430 2.234 0 50 DEAA Cn1ccc2c(cnc3nc(-c4ccc(Cl)cc4)nn32)c1=O 12389898 BZGMWXNDFVVNIT-UHFFFAOYSA-N 311.732 2.297 0 50 DEAA COc1ccc(CN2CCN(c3ncccn3)CC2)c(C)c1C 19536305 IFZHSFXLDNNMOM-UHFFFAOYSA-N 312.417 2.424 0 50 DEAA CO[C@H]1C[C@@H](C(=O)N2CCC(C)=C(c3ccco3)C2)N(C)C1 346925855 OXTSQSLXQXEGFX-ZFWWWQNUSA-N 304.390 2.005 0 50 DEAA Cc1cc(C)n(Cc2ccc(C(=O)N3CC[C@@H](CO)C3)cc2)n1 305633565 AGXXOSOVMXXJAW-MRXNPFEDSA-N 313.401 2.003 0 50 DEAA Cc1c(F)cccc1S(=O)(=O)N1CCC[C@H]1c1ncc[nH]1 331821820 MIPYIMANDCRCMY-LBPRGKRZSA-N 309.366 2.383 0 50 DEAA COCc1noc([C@H](C)N2CCN(Cc3cccs3)CC2)n1 332098837 PGGTZLNGUTZCFZ-LBPRGKRZSA-N 322.434 2.156 0 50 DEAA CCc1ccc(-c2noc(CN3CCCC[C@H](O)C3=O)n2)cc1 643839263 IWZJMFAXXUVLGG-AWEZNQCLSA-N 315.373 2.172 0 50 DEAA CCN1CCN(C[C@H](O)CO[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1 245060721 PXUDSLJPHISHRI-VUHPKUFZSA-N 324.509 2.216 0 50 DEAA Cc1ccccc1C(=O)NC1CCN(Cc2c[nH]nc2C)CC1 153299781 FRXIUPNWIODVPM-UHFFFAOYSA-N 312.417 2.421 0 50 DEAA C[C@]1(C(=O)O)CCN(C(=O)c2csc(-c3ccoc3)n2)C1 262195037 TYAUVERVUNXMSS-AWEZNQCLSA-N 306.343 2.340 0 50 DEAA COC(=O)[C@H](c1ccccc1C)N1CCC(n2ccnn2)CC1 163197979 QRNKCTGMWDSESN-INIZCTEOSA-N 314.389 2.138 0 50 DEAA O=S(=O)(Cc1ccon1)N1CCc2c(Cl)cccc2C1 266209733 UUKASXLLYLHHET-UHFFFAOYSA-N 312.778 2.216 0 50 DEAA C[C@H]1Cc2cnccc2N1S(=O)(=O)c1cnn(C2CCC2)c1 903633976 PXCITVLXTHLZLN-NSHDSACASA-N 318.402 2.143 0 50 DEAA COc1cc(C(=O)N2C[C@H](C)Cc3cccc(F)c32)ncn1 906113240 YZNYDIDLUAYXEY-SNVBAGLBSA-N 301.321 2.463 0 50 DEAA CC(C)[C@H]1NCC[C@H]1c1nc(-c2cccnc2-n2cccn2)no1 822746312 HUDKQXHIFCXUEW-TZMCWYRMSA-N 324.388 2.419 0 50 DEAA OCCCN(Cc1noc2c1COCC2)c1ccc(F)c(F)c1 930688083 ZQJSZBAMQCKCFK-UHFFFAOYSA-N 324.327 2.415 0 50 DEAA Cn1ncc2c1CCCN(C(=O)Nc1ccc(Cl)nc1)C2 840928675 DZNQCNGXKUNMHG-UHFFFAOYSA-N 305.769 2.449 0 50 DEAA O=C(Nc1cc(Cl)cc(Cl)c1)N1CCOC[C@H](CO)C1 96164555 HARIZUWEUWTBQE-VIFPVBQESA-N 319.188 2.466 0 50 DEAA CC(C)[C@@H]1C(=O)NCCCN1C(=O)Cc1ccc(Cl)cc1 2325766715 XYNZDZRXGFTHAM-OAHLLOKOSA-N 308.809 2.256 0 50 DEAA C[C@@H]1C[C@@H](C(=O)N(CCc2cccs2)CC(=O)O)CCC1=O 2325805438 ILTGBMFLXPXUIL-NEPJUHHUSA-N 323.414 2.209 0 50 DEAA O=C(NCC1CC2(CCCCC2)C1)C12C3C4C1C1C2C3C41CO 2332239228 FKBLLEKRGFVWIM-UHFFFAOYSA-N 313.441 2.193 0 50 DEAA O=C(Nc1cc([C@@H]2CCCO2)n[nH]1)c1nn[nH]c1-c1ccccc1 225791647 KDCDDXGHXSKVTB-LBPRGKRZSA-N 324.344 2.299 0 50 DEAA O=C(CSc1nccc(-c2ccccc2)n1)N1CCOCC1 128013 IKLDTVCJAPKLQV-UHFFFAOYSA-N 315.398 2.095 0 50 DEAA COC(=O)c1sc(NC(=O)c2ccco2)c(C(=O)OC)c1C 373801 AAEWRKCKLYASPN-UHFFFAOYSA-N 323.326 2.475 0 50 DEAA O=C(O)c1ccc(-c2ccccc2)nc1N1C[C@H]2C(=O)OC[C@H]2C1 2356148161 KBWFEXJXGAONSR-TZMCWYRMSA-N 324.336 2.056 0 50 DEAA Cc1ccc(-c2cnc3c(N4CC[C@H](O)C4)nccn23)c(F)c1 2356155230 CMPIYKQPRUKHSJ-LBPRGKRZSA-N 312.348 2.415 0 50 DEAA O=C1OC[C@H]2CN(C3CCN(c4ccc(F)c(F)c4)CC3)C[C@@H]12 2356157180 CZEZNEQYNODGEY-BXUZGUMPSA-N 322.355 2.038 0 50 DEAA O=C(c1ccoc1)N1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 56235204 MGPCHHRQCYYXDU-CQSZACIVSA-N 302.374 2.310 0 50 DEAA CCc1ncc(C(=O)N(C)C[C@H]2CCn3ccnc3C2)s1 328638887 WRRYMHWLNZHXDC-NSHDSACASA-N 304.419 2.237 0 50 DEAA CN(C[C@H]1CCCCO1)c1cc(N[C@@H]2CCCOC2)ncn1 328622356 BEZDMTGNPZVQAH-ZIAGYGMSSA-N 306.410 2.073 0 50 DEAA O[C@H](CN1CCO[C@@H]2CCCC[C@H]21)c1ccc2c(c1)OCO2 230250268 OLHGNLSRHQKHKM-RBSFLKMASA-N 305.374 2.092 0 50 DEAA COc1ccc(NC(=O)NCCNc2ccc(C)nn2)cc1 65364892 ILUNHDPWJMRRRI-UHFFFAOYSA-N 301.350 2.027 0 50 DEAA NC1(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)CCC1 65394232 NTSZGLIVFGAAFW-ZWKOTPCHSA-N 324.424 2.398 0 50 DEAA CC(C)N1CCC(CNC(=O)CN2Cc3ccccc3C2)CC1 67833420 VLEWLZSDOPDGLS-UHFFFAOYSA-N 315.461 2.239 0 50 DEAA Cc1ccccc1-n1cc(C2=CCN(CC(=O)N(C)C)CC2)cn1 65536125 HRBLFMZARDJOOJ-UHFFFAOYSA-N 324.428 2.358 0 50 DEAA CC(C)[C@@H](NC(=O)CN1CCC[C@@H]1C(=O)O)c1ccc(F)cc1 236602702 BCHQWRJMGDEYJE-GDBMZVCRSA-N 322.380 2.188 0 50 DEAA CCC(N)(CC)CNC(=O)c1cc(Br)ccc1O 124457653 IYSJBPGTWWKQPD-UHFFFAOYSA-N 315.211 2.402 0 50 DEAA Cc1nn(C)c(C)c1C(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 283715952 CQNNSGNJOZNYAF-CABCVRRESA-N 317.364 2.124 0 50 DEAA O=C(O)C[C@@H](NC(=O)c1n[nH]c2c1CCCC2)c1cccs1 238185748 MIYHZWLOAMGKIF-LLVKDONJSA-N 319.386 2.296 0 50 DEAA CN(Cc1cccc(OCCO)c1)C[C@H]1Cc2ccccc2O1 215412084 UFLJZJJBRDAZLS-GOSISDBHSA-N 313.397 2.493 0 50 DEAA CC(C)n1cc(C(=O)NC[C@H](CO)Cc2cccs2)cn1 77537881 AQFRFQOGELIBNF-GFCCVEGCSA-N 307.419 2.107 0 50 DEAA C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CCN(C2CC2)C1 452581856 UUXZRCJYVPOZHE-HNNXBMFYSA-N 315.461 2.305 0 50 DEAA CC(=O)c1cc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)[nH]n1 77436825 DXCSBOUPJKENDV-UHFFFAOYSA-N 323.356 2.070 0 50 DEAA C[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccncn1 12303067 MTGQWVFQISBCKG-LBPRGKRZSA-N 323.356 2.270 0 50 DEAA C[C@@H]1C[C@H](NC(=O)NCCC[C@H]2CCCCO2)CN1C1CC1 241897170 TWGJUYFDSQAGRT-IJEWVQPXSA-N 309.454 2.260 0 50 DEAA CN1[C@H]2CC[C@H]1CN(C(=O)NCCCOc1ccccc1)CC2 246468470 VGROFBWSTLKICY-HOTGVXAUSA-N 317.433 2.334 0 50 DEAA CN(C)C(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F 360226795 QLXQOABTIWDJIU-JTQLQIEISA-N 304.312 2.128 0 50 DEAA CCCc1ncncc1C(=O)N(CCO)Cc1ccc(C)s1 215169407 RWJZUEMDCNNAJU-UHFFFAOYSA-N 319.430 2.434 0 50 DEAA Cc1ccncc1CN[C@H]1CCCN(c2ccccc2C(N)=O)C1 373005321 YDQXBFJBPZBHMA-INIZCTEOSA-N 324.428 2.248 0 50 DEAA O=C(O)[C@@H]1CCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 262703264 LKIMZZMNTDVZOK-ZDUSSCGKSA-N 319.748 2.215 0 50 DEAA O=C(O)Cn1nccc1[C@H]1CCCN(Cc2cccs2)C1 426419930 ABABNTJVPHNULS-LBPRGKRZSA-N 305.403 2.409 0 50 DEAA CC(C)n1ncc(NC(=O)Cn2cnc(-c3ccccc3)c2)n1 20138237 VPMLVGWDNNLBHT-UHFFFAOYSA-N 310.361 2.361 0 50 DEAA CCn1ccnc1CN(C)C(=O)[C@@H](c1ccc(C)cc1)N(C)C 95360874 ZBZXLRADKDFBCN-QGZVFWFLSA-N 314.433 2.473 0 50 DEAA COCC[C@@]1(C(=O)O)CCCN(C(=O)c2cc(C)oc2C)C1 91593906 RCFWEFFNQBOWKF-INIZCTEOSA-N 309.362 2.240 0 50 DEAA CCNc1nc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cs1 295332294 LZXLBSZHGPMTQI-NSHDSACASA-N 308.451 2.131 0 50 DEAA O=C(O)c1cccc(N2CCC[C@@H](CN3CCCCC3)C2)n1 96136108 XFLNZEIYBWIRRV-AWEZNQCLSA-N 303.406 2.482 0 50 DEAA COCCC[C@@]1(CO)CCCN(Cc2cncn2C2CC2)C1 91895998 TVUOVMZVLBXHCW-KRWDZBQOSA-N 307.438 2.219 0 50 DEAA O=C1OCC2(CCN(C(=O)CC3Cc4ccccc4C3)CC2)O1 244718833 LRQADLTYAYSRID-UHFFFAOYSA-N 315.369 2.320 0 50 DEAA CC[C@@H](NC(=O)c1nc2cc(C)ccn2c1F)[C@H]1C[C@H](O)C1 243919601 BPPLANYTGSRDEX-IJLUTSLNSA-N 305.353 2.061 0 50 DEAA CCCOc1cccc(C(=O)N2CCCN(CCOC)CC2)c1 298965112 CMAJZOMJKVFXJC-UHFFFAOYSA-N 320.433 2.270 0 50 DEAA C[C@H]1C[C@@H](C)CN(C(=O)CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)C1 299745365 YJHGNZANEZJSNF-QRJUGERDSA-N 322.449 2.209 0 50 DEAA Cc1oc(CN(C)C(=O)c2ccc3c(c2)OCO3)cc1C(=O)O 299747137 CBQQLDHLJBEAAL-UHFFFAOYSA-N 317.297 2.287 0 50 DEAA Cc1ccccc1[C@H](CNC(=O)CCn1ccnc1)N(C)C 534582475 SUGBSMJJLMNXRG-INIZCTEOSA-N 300.406 2.001 0 50 DEAA CCOC(=O)N1CC[C@H](NCc2nc3c(C)cccc3o2)C1 534663315 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CN(C)[C@@H](C(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1 133584579 NNJUTYJKPTWYHJ-RCCFBDPRSA-N 310.397 2.064 0 50 DEAA CC(C)N(C)CCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 246851375 VANBOLJVQDZTOS-GJZGRUSLSA-N 318.417 2.018 0 50 DEAA CCN1CCC[C@@H](CNCc2cnnn2Cc2ccccc2)C1 490793398 GXIGEXJGQBRTDC-KRWDZBQOSA-N 313.449 2.148 0 50 DEAA CCO[C@H]1C[C@H](NC(=O)N2CCC=C(C)C2)C12CCOCC2 373873674 XIYADIDZFJCZSF-GJZGRUSLSA-N 308.422 2.322 0 50 DEAA COc1c(CN2CCC[C@](O)(C(F)(F)F)CC2)c(C)nn1C 377624369 LEJSYQSPMPUHGH-CYBMUJFWSA-N 321.343 2.016 0 50 DEAA CN1CCN(c2cc(-c3ccc(F)cc3)nc3ccnn23)CC1 72436396 YIJLLRBZKFCOSD-UHFFFAOYSA-N 311.364 2.287 0 50 DEAA O=C(CN1CCN(CCO)CC1)c1ccc(-c2ccccc2)cc1 45068611 GUNCRVUUZGMXEG-UHFFFAOYSA-N 324.424 2.146 0 50 DEAA COc1cc(F)c(C(=O)N2CC(N3CCCCC3)C2)c(F)c1 223123973 XOXOIHRZZQGELM-UHFFFAOYSA-N 310.344 2.284 0 50 DEAA CNC[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)C1 179000383 YGYYHTQWJYHFKG-LBPRGKRZSA-N 318.808 2.207 0 50 DEAA CC(C)Oc1cccc(NS(=O)(=O)c2cnccc2N)c1 196587082 AVHMBLHMEUBAHX-UHFFFAOYSA-N 307.375 2.252 0 50 DEAA O=C(NCCCc1nccs1)c1ccccc1-n1cnnc1 426403441 CIXDMJNMBLGFDI-UHFFFAOYSA-N 313.386 2.086 0 50 DEAA O=C1CCc2cc(F)cc(NC(=O)N3CCSCC3)c2N1 95523624 RJZLACJJKPCMQK-UHFFFAOYSA-N 309.366 2.291 0 50 DEAA CCN(Cc1c[nH]nc1-c1cc(C)ccc1C)[C@H]1COC[C@@H]1O 97618894 VJNWXMSBJREVLO-IRXDYDNUSA-N 315.417 2.275 0 50 DEAA CCc1n[nH]c2c1CN(CCC(=O)NCc1cccs1)CC2 243892388 AHORMDGVLOAUEH-UHFFFAOYSA-N 318.446 2.098 0 50 DEAA COCCn1cncc1CN(C)Cc1nc2ccccc2n1C 252503924 VHIMJNQQSKCIDR-UHFFFAOYSA-N 313.405 2.048 0 50 DEAA CCn1cnc2c(N3CCN(C)C[C@@H]3c3ccccc3)ncnc21 299642523 SUWYEUFASRHOLX-OAHLLOKOSA-N 322.416 2.339 0 50 DEAA CCn1c(C)cc(C(=O)NCCc2nc(C(=O)O)cs2)c1C 262967546 IKVXKFVKEOJBLQ-UHFFFAOYSA-N 321.402 2.252 0 50 DEAA Nc1ncc(C(=O)NC[C@@H]2CCN(C3CCCCC3)C2)s1 534585405 UULUYNYIFRWJHF-NSHDSACASA-N 308.451 2.110 0 50 DEAA CC(C)C(=O)N1CCC[C@H](NC2CSCCSC2)C1 534669122 OHVNHIRZUYPYSW-LBPRGKRZSA-N 302.509 2.072 0 50 DEAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CN)O3)cc1 299776891 HURIURKXLARIOU-CQSZACIVSA-N 303.383 2.019 0 50 DEAA CC(C)[C@@H](NC(=O)CCOc1ccccc1)c1ncnn1C 299764853 NNHHPZPKWAHLFA-OAHLLOKOSA-N 302.378 2.098 0 50 DEAA O=C(NCC1CCN(CCCC(F)(F)F)CC1)c1ccon1 828196583 VQJFVAFQXVLQAR-UHFFFAOYSA-N 319.327 2.459 0 50 DEAA O=C1C[C@H](NC(=O)c2cc3c(nc2O)CCC3)c2ccccc2N1 584887781 AYKBEJYQLIFHFC-HNNXBMFYSA-N 323.352 2.089 0 50 DEAA CC(C)c1cc(CNC(=O)N(Cc2cnn(C)c2)C2CC2)no1 584884797 WZSYSUXCWNBSFJ-UHFFFAOYSA-N 317.393 2.406 0 50 DEAA CC(C)(C)C[C@H](NC(=O)c1coc(CN)n1)c1cccnc1 670447918 PXANMUPCAWJQDN-LBPRGKRZSA-N 302.378 2.436 0 50 DEAA CCn1cc(CNc2nc3cccc(C)c3s2)c(O)nc1=O 952994029 OIDZVAQSLDTWLK-UHFFFAOYSA-N 316.386 2.499 0 50 DEAA COC(=O)c1ccc2nc(N3C[C@@H]4CN(C)C[C@@H]4C3)sc2c1 1875287018 RQQYKBVWLPKOAA-TXEJJXNPSA-N 317.414 2.081 0 50 DEAA Cc1cc(CNC(=O)CCc2c(C)nn(C)c2C)cnc1C 952982697 MDLQPKLSOWOONR-UHFFFAOYSA-N 300.406 2.298 0 50 DEAA CC(C)N(Cc1ccco1)S(=O)(=O)CCC(C)(C)C(=O)O 1776003025 RHHAPYWWFQHJAX-UHFFFAOYSA-N 317.407 2.321 0 50 DEAA COc1ccc([C@@](C)(O)[C@@H]2CCCN2Cc2nccn2C)cc1 583615602 OAWZJPXGRWBZTQ-FUHWJXTLSA-N 315.417 2.301 0 50 DEAA O=C1CC(C(=O)N2CCC(O)(c3cccc4cnccc34)CC2)C1 585088130 LIZXKVHNYZJSQP-UHFFFAOYSA-N 324.380 2.024 0 50 DEAA CCN(CC(=O)NC(C)C)c1cnc2cc(F)c(F)cc2n1 170015697 IUKNDEOUAAKPSU-UHFFFAOYSA-N 308.332 2.259 0 50 DEAA CNC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2O)nn1 1244458393 JUEWACYKHMQTMA-UHFFFAOYSA-N 313.235 2.107 0 50 DEAA CN(Cc1nc(C(=O)O)cs1)Cc1nc2ccccc2n1C 652413306 NPLKGYYPDJZEKC-UHFFFAOYSA-N 316.386 2.360 0 50 DEAA O=C(Cc1cccc(F)c1)N[C@H]1COC[C@H]1Cc1ccncc1 1529141887 RXDAZGVJAGSRQJ-WBVHZDCISA-N 314.360 2.137 0 50 DEAA NC[C@@H]1CCCN1C(=O)c1cc(F)cc(Br)c1 122306115 CZUZBUGHHPHKPW-NSHDSACASA-N 301.159 2.152 0 50 DEAA CC(C)n1cc(NC(=O)NCCc2nccn2C(F)F)cn1 1615582487 OFZKPFCXXBBBTM-UHFFFAOYSA-N 312.324 2.420 0 50 DEAA CCCOc1cccc(CCNC(=O)N[C@H]2CC[C@H](N)C2)c1 1616067358 BYQXNKYUNOZRTB-GJZGRUSLSA-N 305.422 2.197 0 50 DEAA COCc1nnc(NC[C@@H]2CCN(Cc3ccccc3)C2)o1 1772709781 QKENGAQLDBXVAW-AWEZNQCLSA-N 302.378 2.150 0 50 DEAA Cc1ccc(CNC[C@@]2(O)CCCN(CC(C)(C)C)C2=O)o1 11701419 QNRJDRZNQQBOKZ-KRWDZBQOSA-N 308.422 2.077 0 50 DEAA CCN(CC)CCN(C)c1nncc(-c2ccc(OC)cc2)n1 11815221 NFDFBTFKXJDRLV-UHFFFAOYSA-N 315.421 2.325 0 50 DEAA CC[C@@H](C(=O)NC1CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716377 YTRIFDKNSLXCDQ-HNNXBMFYSA-N 324.446 2.127 0 50 DEAA CCOc1cc(N2C[C@H](O)C[C@@H]2c2cccc(OC)c2)ncn1 225700505 KHKYSYMGFPGTNK-UKRRQHHQSA-N 315.373 2.196 0 50 DEAA Cc1cccc(S(=O)(=O)N2CCC[C@H]3CNC[C@H]32)c1Cl 420455062 WWWABJQVVXBCLH-NWDGAFQWSA-N 314.838 2.021 0 50 DEAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc(F)cc(Cl)c1 331927092 CJGLSIBSPNMZFM-STQMWFEESA-N 323.755 2.473 0 50 DEAA Cc1cccc(OCCC(=O)N2CC[C@@](C)(C(=O)O)C2)c1C 237700218 UJVVCJZBRVNOFY-QGZVFWFLSA-N 305.374 2.396 0 50 DEAA Cc1ccsc1C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 240465966 GBTBOYQOKHOAEH-LBPRGKRZSA-N 315.398 2.096 0 50 DEAA Cn1cccc1C(=O)N1CCc2c(cnn2-c2ccccc2)C1 343098083 BFXFFIITGLMQCX-UHFFFAOYSA-N 306.369 2.409 0 50 DEAA CO[C@H]1C[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CC2)N(C)C1 345211407 SUUULQGYSOYQMY-GJZGRUSLSA-N 322.836 2.207 0 50 DEAA COc1ccccc1O[C@@H](C)CNC(=O)CC(C)(C)CC(=O)O 585079436 NCGLJSOXGXAHBG-LBPRGKRZSA-N 323.389 2.470 0 50 DEAA CCn1cc(C2CCN(c3cncc(-n4cccn4)n3)CC2)cn1 264330958 SNFCCADEIBNBGH-UHFFFAOYSA-N 323.404 2.263 0 50 DEAA CCCc1nc(CN2CCOC[C@H]2c2ccc(COC)o2)no1 932333323 FVAHYYZBPXMYLE-ZDUSSCGKSA-N 321.377 2.335 0 50 DEAA CC[C@H]1CCN[C@H]1C(=O)N1CCC(N2CCCC2(C)C)CC1 2325769048 CKSHRRRPSWIZOX-GOEBONIOSA-N 307.482 2.240 0 50 DEAA COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(C)=O)c1)C2=O 191291 YPGXSJQWAJKBQC-UHFFFAOYSA-N 323.304 2.476 0 50 DEAA CC[C@H](O)c1ccc(OC[C@H](O)CN2CCCCC2)c(OC)c1 238690 WGYOXLHUEHBVOF-CVEARBPZSA-N 323.433 2.364 0 50 DEAA biogenic CCN(CC)S(=O)(=O)c1ccc(OC)c(Br)c1 241664 MXJFWCPNLKFFAA-UHFFFAOYSA-N 322.224 2.488 0 50 DEAA CC(=O)c1ccccc1OC(=O)CN1C(=O)c2ccccc2C1=O 464358 MCDRUPMVTXJGIF-UHFFFAOYSA-N 323.304 2.091 0 50 DEAA CN[C@@H]1CCCN(C(=O)c2c(F)cccc2Br)C1 122420749 FTJPOGVQSXXISI-SECBINFHSA-N 315.186 2.412 0 50 DEAA CC[C@]1(O)CCC[C@H]2CN(C(=O)CCCn3cccn3)C[C@H]21 2356152403 HPGBVLYQEUZDST-UXLLHSPISA-N 305.422 2.063 0 50 DEAA COc1ccc(CNC(=O)C(=O)Nc2ccccc2F)cc1 2864791 IIVLAPAARAPXAY-UHFFFAOYSA-N 302.305 2.089 0 50 DEAA CO[C@H](C)Cn1ccnc1-c1cnc(-c2cnn(C)c2)s1 2356155709 KMMOCSYKSVKEMS-SNVBAGLBSA-N 303.391 2.442 0 50 DEAA O=C(Nc1nncs1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4385421 URJVCDUWCVFUHO-MRVPVSSYSA-N 322.777 2.183 0 50 DEAA O=C(NCC1CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 4867825 SDGLQRQMXPTHHH-UHFFFAOYSA-N 304.346 2.050 0 50 DEAA CCc1nnc(SCC(=O)Nc2cc(OC)ccc2OC)o1 6697301 KQOLFLDXVZLIAY-UHFFFAOYSA-N 323.374 2.380 0 50 DEAA COC1CCC(NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CC1 345035006 NRCXWGSVIQTLLV-MMIPBJDJSA-N 320.481 2.350 0 50 DEAA C[C@H]1[C@@H](N)CCN1C(=O)C1(c2ccccc2Cl)CCOCC1 423684087 ULWUOBMDUHLKFE-WFASDCNBSA-N 322.836 2.336 0 50 DEAA O=C(Cc1csc(-c2ccco2)n1)N[C@@H]1CCN2CCC[C@@H]12 229374205 IDHADDFJKXMWJK-OLZOCXBDSA-N 317.414 2.299 0 50 DEAA CCOc1cc(N2CCC(OC[C@@H]3CCCCO3)CC2)ncn1 136057972 WBRCRBNTLNHYCI-HNNXBMFYSA-N 321.421 2.430 0 50 DEAA Cc1c([C@H]2OCC[C@@H]2NCC2(O)CCC(C)CC2)cnn1C 328624480 JYYBEKJFGKJANT-WGMOCZARSA-N 307.438 2.089 0 50 DEAA O=C(O)c1cccc(OCCN2CCC3(CCOCC3)C2)c1 318727582 IGZPVLAUNMJNSE-UHFFFAOYSA-N 305.374 2.266 0 50 DEAA O=C(NCCCN1CCOCC1)c1cccc(C(F)(F)F)c1 20436999 ITTWDAPRZKRLHA-UHFFFAOYSA-N 316.323 2.158 0 50 DEAA COc1cccc(F)c1C(=O)N1CC[C@@H](c2nc(C)no2)C1 332102345 YTBDCTTXAIGKEV-SNVBAGLBSA-N 305.309 2.155 0 50 DEAA CC(=O)NC1CCN(CC2=CCCN([C@@H]3C=CCCC3)C2)CC1 65394590 URXOSSAYPFNGHO-LJQANCHMSA-N 317.477 2.328 0 50 DEAA CCCc1noc(CN2CCC([C@@H](O)c3ccccn3)CC2)n1 12315405 XNNRLGTXTRWUHJ-QGZVFWFLSA-N 316.405 2.363 0 50 DEAA CCn1c([C@@H]2CCCN2C(=O)[C@H]2CCNC2)nc2ccccc21 236998399 DXQRFNKQPJTZHB-BBRMVZONSA-N 312.417 2.329 0 50 DEAA C[C@H](Cn1cncn1)NCc1cc(-c2ccc(F)cc2)no1 67856401 RMZLJRDRKSOPPH-LLVKDONJSA-N 301.325 2.251 0 50 DEAA C[C@H]1Cc2cccc3c(=O)c(C(=O)NC[C@H]4CCCO4)cn1c23 33088819 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CCc1nc(Cn2ccnc2-c2cnc(NC(C)C)nc2)no1 71750298 XNOKMHGURLBHOR-UHFFFAOYSA-N 313.365 2.154 0 50 DEAA COc1cc(C(F)(F)F)ncc1NC(=O)N1CCOC[C@H]1C 252498642 RGTIYCFFFHEVNA-MRVPVSSYSA-N 319.283 2.362 0 50 DEAA Cc1cccc([C@H](C)NS(=O)(=O)c2c(C)cnn2C)c1C 285326350 XDWMFBOKVUMSEL-ZDUSSCGKSA-N 307.419 2.385 0 50 DEAA Cn1cc(CN[C@H]2CCO[C@@H]2c2nccn2-c2ccccc2)cn1 343383203 HICKCAPHAGIPNA-IRXDYDNUSA-N 323.400 2.226 0 50 DEAA C[C@@H](c1ncc(C(C)(C)C)o1)N1CCc2c(ncn(C)c2=O)C1 367388076 MEQIGOQGUBYOOH-NSHDSACASA-N 316.405 2.185 0 50 DEAA O=C(CCOC1CCOCC1)N1CC[C@@H](O)c2ccccc2C1 374692950 JFFIDCMBKMDHOS-QGZVFWFLSA-N 319.401 2.038 0 50 DEAA COCc1noc(-c2ccc(NC[C@@]3(C)CCCO3)nc2)n1 72421554 CIRPTWVJJJUDGT-OAHLLOKOSA-N 304.350 2.259 0 50 DEAA Cc1ccsc1CN(C)C(=O)c1ccnc(-n2cnnc2)c1 71774543 AEAILQVAWWTICS-UHFFFAOYSA-N 313.386 2.304 0 50 DEAA CC(C)(C)c1nnc2ccc(N[C@H](CO)C3CCCC3)nn12 290786980 NPRQAGIYWWYLPM-GFCCVEGCSA-N 303.410 2.385 0 50 DEAA C[C@@H](N)CCNS(=O)(=O)c1ccc(-c2ccccc2)cc1 178914162 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CN(C)Cc1cc(C(=O)N2CCCOc3ccccc32)no1 1615617668 MFKOOKIQRABKMT-UHFFFAOYSA-N 301.346 2.166 0 50 DEAA CN(Cc1cccc(F)c1)S(=O)(=O)c1c(Cl)cnn1C 225479597 LSIBDVXJTFVBAH-UHFFFAOYSA-N 317.773 2.033 0 50 DEAA COc1ccc(-n2cc(CN[C@H]3CCn4ccnc43)cn2)cc1 1615571935 IYXHJZWUPDFJED-INIZCTEOSA-N 309.373 2.312 0 50 DEAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NOc1ccc(F)cc1 1628856556 XJACLKOGSBUKSD-BONVTDFDSA-N 303.289 2.464 0 50 DEAA O=C(NC[C@H]1Cc2cc(F)cc(-c3cncnc3)c2O1)C1CC1 11788003 UYGIXCQPBXDVCJ-CQSZACIVSA-N 313.332 2.112 0 50 DEAA CSCCCN1CCC[C@@H](CNC(=O)c2cccnc2)C1 12454730 CIQWDWYNKGUKEY-AWEZNQCLSA-N 307.463 2.277 0 50 DEAA O=C(NC1CC1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 13535791 FBVKOVKQYAOWTF-VIFPVBQESA-N 312.291 2.337 0 50 DEAA CC(C)(C)CN1CCC[C@](O)(CNCc2ccccc2F)C1=O 14949285 VYWVYLYZTOQSNO-SFHVURJKSA-N 322.424 2.315 0 50 DEAA O=C(c1ccc(=O)[nH]c1)N1CCO[C@H](CC2CCCCC2)C1 15074382 YVMNJHJNSOIGHE-OAHLLOKOSA-N 304.390 2.186 0 50 DEAA CN(C)c1cnn(CCCCOCc2ccccc2)c(=O)c1 19745961 VWAGJWDFXPZJQT-UHFFFAOYSA-N 301.390 2.306 0 50 DEAA COc1ccc(OC)c(NS(=O)(=O)c2ccc(N)cc2)c1 19983534 WNZPCDJZVOAORM-UHFFFAOYSA-N 308.359 2.087 0 50 DEAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(C)(C)OCC3(C)C)n[nH]c21 1857530867 FHFNREIZYIWRMQ-MNOVXSKESA-N 321.421 2.462 0 50 DEAA Cc1cc(N2C[C@H]3C[C@H](O)C[C@H]3C2)c2cc3c(cc2n1)OCO3 1857686558 BSPPDOKHSGTTEB-ITGUQSILSA-N 312.369 2.479 0 50 DEAA COc1c(C)cc(C)cc1-c1nccn1[C@@H]1CN[C@H](CO)C1 1857728189 RAHUBNIVEMPTFP-KBPBESRZSA-N 301.390 2.071 0 50 DEAA CC(C)COc1cccc(-c2nccn2[C@H]2CCNC[C@@H]2O)c1 1857729855 UWNUFYXJAOGASH-IRXDYDNUSA-N 315.417 2.480 0 50 DEAA Cn1nc(-c2ccccc2)c2c1CCN(Cc1cnc[nH]1)CC2 1857740135 AAMXJIOSSKNTGI-UHFFFAOYSA-N 307.401 2.411 0 50 DEAA O=C(c1ocnc1C1CC1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 329839080 MRUCKHSQJZJTIP-NXEZZACHSA-N 318.295 2.185 0 50 DEAA Cc1cc(C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)n[nH]1 330992014 BFLRSPVWZCSMLE-NSHDSACASA-N 315.299 2.102 0 50 DEAA Cc1ccc2c(c1)[C@H](NC(=O)N(C[C@@H](C)O)[C@H](C)CO)CCC2 241277695 LIJZRPUPOVHXTC-CKEIUWERSA-N 320.433 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239164882 NBRKDTGLWWFFIZ-BSXFFOKHSA-N 319.401 2.053 0 50 DEAA biogenic O=C1CC[C@H](C(=O)N2CCCC2)CN1CCCc1ccccc1 91563501 VKFSPFMQSOXEEM-KRWDZBQOSA-N 314.429 2.480 0 50 DEAA O=C(NCCc1nccs1)[C@H]1CCCN(Cc2ccco2)C1 95352405 CXWWVZMNCRBPAR-ZDUSSCGKSA-N 319.430 2.307 0 50 DEAA COCCn1ccnc1C1CCN(Cc2coc(C)n2)CC1 92097860 OBYAKVXLQBBDMV-UHFFFAOYSA-N 304.394 2.206 0 50 DEAA c1ccc([C@@H]2CN(c3ccc4nncn4n3)[C@@H]3CCOC[C@@H]23)cc1 295644682 FIOLNJMZOMISHB-HRCADAONSA-N 321.384 2.133 0 50 DEAA CC(C)c1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc1 238997467 AHSBJGJCIWJIHG-KBUPBQIOSA-N 301.342 2.403 0 50 DEAA CCN(CCOC)C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 91808878 SZVDMSRBUUYOOC-UHFFFAOYSA-N 303.362 2.194 0 50 DEAA COc1ccc(N2C(=O)C[C@@H](N3CCc4ccccc43)C2=O)cc1 97062843 ILTZTIBVSANSHI-QGZVFWFLSA-N 322.364 2.390 0 50 DEAA C[C@@]1(F)CCCN(S(=O)(=O)Cc2noc3ccccc23)C1 297164979 SCTAYGQDEHEMJL-CQSZACIVSA-N 312.366 2.482 0 50 DEAA COc1ccc(-c2nc([C@H]3CCOC3)no2)c(OC)c1OC 96180403 ZBZBZQHJNMGHAU-VIFPVBQESA-N 306.318 2.266 0 50 DEAA COC(=O)N[C@H](C)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 95354072 TZERWMQLDIOTBC-GFCCVEGCSA-N 322.380 2.351 0 50 DEAA Cc1c(C(=O)N[C@@H]2CN3CCC2CC3)c2cc(O)ccc2n1C 244718955 LUCICIGYANCRJG-OAHLLOKOSA-N 313.401 2.016 0 50 DEAA C[C@@H](O)CNc1cc(N2Cc3cccc(Cl)c3C2)ncn1 298884539 LHMQVJVJUSQNNA-SNVBAGLBSA-N 304.781 2.443 0 50 DEAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](C)[C@H]2CN)c1 299740177 WQGRQOJXKVJCBN-ISWURRPUSA-N 302.418 2.385 0 50 DEAA O=C(NCCc1nc2c(s1)CCC2)c1cnc(O)c(Cl)c1 253536639 JAHCUEPBQPTVAO-UHFFFAOYSA-N 323.805 2.358 0 50 DEAA CCCn1ccnc1CNC(=O)[C@H](C)Sc1ccccn1 534637025 DSJZOXNLOLMXQE-LBPRGKRZSA-N 304.419 2.485 0 50 DEAA O=C(O)c1ccc(OCCNC(=O)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)cc1 630155287 GYNYLPZXIOAXOZ-NZBFACKJSA-N 315.369 2.172 0 50 DEAA COc1nc(C)c(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)s1 299762650 YBHIMMYLHZENCN-SNVBAGLBSA-N 306.391 2.203 0 50 DEAA CSCCC(=O)Nc1ccc(NC(=O)CN(C)C)c(C)c1 824892192 GWOFMTMTBFGVKR-UHFFFAOYSA-N 309.435 2.187 0 50 DEAA CN(C)C(=O)[C@H]1CN(Cc2[nH]c3ccccc3c2Cl)CCO1 670471840 AJRVGNWTPSSHIT-CQSZACIVSA-N 321.808 2.110 0 50 DEAA COc1cc([C@@H](C)NCc2cnn3c2CN(C)CC3)ccc1F 952890237 VRTFWVWUKHWVQS-GFCCVEGCSA-N 318.396 2.327 0 50 DEAA CC(C)(C)c1cnc(C(=O)N2CCC[C@@H](c3cnn[nH]3)C2)o1 1875282809 SWTJEZYVOOSHOB-SNVBAGLBSA-N 303.366 2.110 0 50 DEAA c1ccc2c(c1)[C@H](N[C@@H]1CCc3c[nH]nc3C1)CC21OCCO1 1875275009 NKJCVIUELFZSFK-CXAGYDPISA-N 311.385 2.201 0 50 DEAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1NCc1cc2c(o1)CCCC2 1875399995 OILVIJCVGJNXAE-KBRIMQKVSA-N 315.417 2.284 0 50 DEAA CCN1N=C(C(=O)N2Cc3cccc4c3[C@@H](CCC4)C2)CC1=O 1875330818 DDOJTPTXJNJIJA-AWEZNQCLSA-N 311.385 2.057 0 50 DEAA CCN(CCN1CCCC1)S(=O)(=O)Cc1cccc(C)c1 952973810 JXOHCGINXGPWSJ-UHFFFAOYSA-N 310.463 2.243 0 50 DEAA Cc1c(F)cccc1C(=O)NCc1nnc([C@H]2CCCOC2)o1 886096569 CXSGGAFDPRLAMM-NSHDSACASA-N 319.336 2.341 0 50 DEAA CCNc1nc(C(=O)N2CCOC[C@@H]2c2cccn2C)cs1 1362635035 FCWDACMSZNOBAC-CYBMUJFWSA-N 320.418 2.127 0 50 DEAA NC(=O)c1cnn2c1C[C@@H](CNCc1cc3ccccc3o1)CC2 275681155 WJKAUOMOCNBCTL-LBPRGKRZSA-N 324.384 2.080 0 50 DEAA COc1ccc([C@@](C)(O)[C@H]2CCCN2Cc2nnc(C)o2)cc1 583615585 MQJIFRXWTJBFNE-NVXWUHKLSA-N 317.389 2.259 0 50 DEAA CNC(=O)c1ccc(C)c(NC(=O)c2ccnn2CC(F)F)c1 279026585 OQCQQNJTTBOXFF-UHFFFAOYSA-N 322.315 2.069 0 50 DEAA O[C@H](CNC[C@@H]1CCCCC(F)(F)C1)CC1(O)CCOCC1 634715122 XZXZPRXXVAXBTG-KGLIPLIRSA-N 321.408 2.084 0 50 DEAA COCCc1ccc(Oc2cc(COC)nc3ncnn23)cc1 193097777 CBLNKAJMMQNDSN-UHFFFAOYSA-N 314.345 2.252 0 50 DEAA O=C(O)c1cnn(C2CCN(c3ccnc(C4CC4)n3)CC2)c1 649407971 BCGJINLMDKNMDF-UHFFFAOYSA-N 313.361 2.090 0 50 DEAA CCNC(=O)N1CCC(c2nccc(C3CCOCC3)n2)CC1 1615586733 XYYMZXLPQOSQRP-UHFFFAOYSA-N 318.421 2.280 0 50 DEAA Cc1ccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1F 1704297613 CSWNUVFIVCKLGY-QZTJIDSGSA-N 306.425 2.413 0 50 DEAA COc1cn(C)nc1[C@@H](C)NCc1ccccc1-n1ccnc1 1616038303 QZQZVUNJNJNTKI-CYBMUJFWSA-N 311.389 2.465 0 50 DEAA COC(=O)c1n[nH]cc1NC(=O)c1ccccc1Br 357203446 TUVQJHPYFSUCAW-UHFFFAOYSA-N 324.134 2.211 0 50 DEAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc2c(c1)OC(F)(F)O2 1772704833 HZIRCYYUPCRVRN-ZYHUDNBSSA-N 324.327 2.203 0 50 DEAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1ccc2ccccc2n1 1772709841 NUNHZDUJDKPHCL-TZMCWYRMSA-N 309.369 2.070 0 50 DEAA COc1ccccc1Cn1ccn2nc3c(c2c1=O)CCCC3 169760097 KCVTXRNNANTQPK-UHFFFAOYSA-N 309.369 2.432 0 50 DEAA CC(=Cc1ccccc1)CN[C@@H]1CCCN(c2ncc[nH]c2=O)C1 1857531871 NHIRHMBVYDILIE-QGZVFWFLSA-N 324.428 2.432 0 50 DEAA COc1cccc(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)c1F 1857687712 AVNWTTNOAXFABU-ZDUSSCGKSA-N 323.364 2.148 0 50 DEAA CN(C)C(=O)c1cccc(Cn2ccnc2-c2cc[nH]c(=N)c2)c1 1857693081 HHIOKQNOSSTQLH-UHFFFAOYSA-N 321.384 2.108 0 50 DEAA CCN(Cc1ccoc1)C(=O)c1ccn([C@H]2CCCNC2)n1 629600089 RUBMZWQMIOCKAH-AWEZNQCLSA-N 302.378 2.063 0 50 DEAA Cc1nc(C)c(F)c(N[C@H]2CCO[C@H](c3nccn3C)C2)n1 333645971 DABFPFUFYSZKQH-RYUDHWBXSA-N 305.357 2.298 0 50 DEAA COc1ccc2[nH]c(C(=O)N[C@H]3CCC[C@H]3C(=O)O)cc2c1 649367220 IDHYJORPAJYPTP-YPMHNXCESA-N 302.330 2.160 0 50 DEAA CC[C@@H](C(=O)Nc1ccc(C)cc1)n1c(N)nnc1SC 12001019 RJFLNQYKZMINTL-NSHDSACASA-N 305.407 2.480 0 50 DEAA COc1ccc([C@H](NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)O)cc1 262294222 OKITYVBWKSTIGD-FATJJJSSSA-N 301.342 2.149 0 50 DEAA CC(C)c1cccc(S(=O)(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)c1 263508961 WUQVXRFLNALFTG-QEJZJMRPSA-N 323.414 2.436 0 50 DEAA CCc1cc(N2CCN(Cc3cccc(O)c3)CC2)nc(C)n1 266040599 UTOATZFNLRJGRE-UHFFFAOYSA-N 312.417 2.375 0 50 DEAA Cc1ncc(C(=O)Oc2ccc3c(c2)CN(C)C3=O)c(C2CC2)n1 1116910918 KXUFEEFJSRKLAF-UHFFFAOYSA-N 323.352 2.467 0 50 DEAA Cc1nn(C)c(C)c1[C@@H](NCc1nncs1)C(F)(F)F 930085400 HUJZQURXTANITJ-SNVBAGLBSA-N 305.329 2.282 0 50 DEAA Cc1cc(S(=O)(=O)N2CCN[C@H](C)[C@@H]2C)sc1Cl 262756885 IBHPGGQFPPDSOC-BDAKNGLRSA-N 308.856 2.081 0 50 DEAA O=C1NC(=O)/C(=C\c2ccc(C(=O)N3CC=CCC3)cc2)S1 2325727718 SVTNQISJWFNMBC-JLHYYAGUSA-N 314.366 2.413 0 50 DEAA CCN(CC(C)C)c1nnnn1Cc1conc1C(F)(F)F 2325769802 PZJMXULINKBZEG-UHFFFAOYSA-N 318.303 2.211 0 50 DEAA NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 143357 OOWRWZBEYIUVQH-UHFFFAOYSA-N 307.400 2.143 0 50 DEAA O=C(c1ccccc1)N1CCN(C(=O)N2CCCCC2)CC1 355663 SVZGDJBDMCYUSE-UHFFFAOYSA-N 301.390 2.050 0 50 DEAA O=C(O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 420156 QLWLSZNKQJSZJE-UHFFFAOYSA-N 317.366 2.132 0 50 DEAA COC(=O)[C@@H]1NN=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 4104471 MKTBYSGQVNKKDE-GDBMZVCRSA-N 308.337 2.154 0 50 DEAA O=C(c1cccc(=O)[nH]1)N(Cc1ccsc1)C[C@H]1CCCO1 55393220 QPAPCMUTBJUVNG-CYBMUJFWSA-N 318.398 2.258 0 50 DEAA CCc1onc(C)c1C(=O)N(C)C[C@H]1CCc2nccn2C1 328636870 VSPYOZMWLRBKTN-GFCCVEGCSA-N 302.378 2.077 0 50 DEAA C[C@H](C(=O)NCc1ccc(OCC2CC2)nc1)c1ccnn1C 421448636 GMPPVSVFHDRDQL-LBPRGKRZSA-N 314.389 2.024 0 50 DEAA CC(C)(O)C(=O)N1CCCc2c(Br)cccc2C1 328587761 HBELJACTZLQCMC-UHFFFAOYSA-N 312.207 2.495 0 50 DEAA CCCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O 22018007 JEBBTINPIQZAMG-UHFFFAOYSA-N 300.314 2.088 0 50 DEAA CC(C)COC[C@H](O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 328644059 RPHKIHFMOJRRJW-RHSMWYFYSA-N 321.465 2.459 0 50 DEAA 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CCN(Cc1ccc2c(c1)OCO2)Cc1c(C)nn(C)c1OC 120032614 VSEQPSGKRSUZJW-UHFFFAOYSA-N 317.389 2.488 0 50 DEAA C[C@H](CN(C(=O)[C@@H]1CCOc2ccccc21)C1CC1)C(=O)O 237610274 WMVPQZSIKTZTSW-BXUZGUMPSA-N 303.358 2.264 0 50 DEAA O=C(O)[C@@H]1CCCN(C(=O)CCCOc2cccc(F)c2)C1 136106376 QQABAQILEOXIRF-GFCCVEGCSA-N 309.337 2.308 0 50 DEAA COc1cccc(C[C@H](C)NC(=O)NC[C@@H]2CCC[C@H]2O)c1 252678617 GIMHBMVYAIHBCH-DUVNUKRYSA-N 306.406 2.086 0 50 DEAA CCOc1ccc(CNC2(CC(N)=O)CCC2)cc1OCC 354976113 GKPQJQWAEJXAFR-UHFFFAOYSA-N 306.406 2.372 0 50 DEAA CN(CCCOCc1ccccc1)c1cnn(C)c(=O)c1Cl 253397667 SJDMSJOQNHBVNC-UHFFFAOYSA-N 321.808 2.477 0 50 DEAA COc1ccc2c(c1)CCN(c1cnnc(O)c1Cl)CC2 372637717 HKXZUMYTVSYTTG-UHFFFAOYSA-N 305.765 2.449 0 50 DEAA CC(=O)N1CCO[C@@H](c2nc(CCCc3ccccc3)no2)C1 901928302 KRPHGTTUMGJALX-OAHLLOKOSA-N 315.373 2.165 0 50 DEAA CCOc1cccc(NS(=O)(=O)c2cnn(C3CCC3)c2)n1 903606152 ZAFJCWQHUHJJPK-UHFFFAOYSA-N 322.390 2.203 0 50 DEAA Cc1cc(F)ccc1Cc1noc([C@@]2(C)CCNC(=O)C2)n1 904052048 CGGNJLJGDXHSNQ-INIZCTEOSA-N 303.337 2.276 0 50 DEAA O=C(O)c1cccc2c1CN(C(=O)[C@H](O)C1CCCCC1)CC2 909871358 LTSOPEDABSVIIU-MRXNPFEDSA-N 317.385 2.211 0 50 DEAA C[C@@H]1CC[C@H](CO)N1C(=O)Cc1cccc(C(F)(F)F)n1 829432256 UCYFMXRXDTZDBT-MWLCHTKSSA-N 302.296 2.015 0 50 DEAA CCN(C(=O)CCc1cnn(C)n1)[C@@H](C)Cc1ccsc1 830028117 FFMSUHHDNCYWMV-LBPRGKRZSA-N 306.435 2.289 0 50 DEAA O=C(O)C[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Cl 159696553 GSKDWCGZDSJBCC-VIFPVBQESA-N 321.757 2.107 0 50 DEAA Cn1ncc2c1CN(C(=O)[C@H](c1ccccc1)N1CCCC1)C2 2325758036 ZCXQYYQAPCNUEH-KRWDZBQOSA-N 310.401 2.099 0 50 DEAA CC[C@H](CO)CNC(=O)c1ccc2cc(C(=O)O)ccc2c1 2325788651 UWYYTYPTUWESGL-NSHDSACASA-N 301.342 2.286 0 50 DEAA Cc1oc(-c2ccccc2)cc1C(=O)N1CCOC[C@@H]1C(=O)O 864119102 VOZBIVDWXQWNHA-CQSZACIVSA-N 315.325 2.181 0 50 DEAA Cc1cc(C)c(S(=O)(=O)N(C)Cc2cnn(C)c2)c(C)c1 474204 CJOUHFRZQMNSNN-UHFFFAOYSA-N 307.419 2.166 0 50 DEAA Cc1occc1C(=O)NCCCCNC(=O)c1ccoc1C 2086168 PXELGARUJSBNGK-UHFFFAOYSA-N 304.346 2.429 0 50 DEAA O=C(c1ccc2cc[nH]c2n1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356161759 IPIJOFHRPZMTQD-SFHVURJKSA-N 321.384 2.406 0 50 DEAA COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 101090729 MFGSUSCNDZQBPD-GMXVVIOVSA-N 311.403 2.171 0 50 DEAA C[C@@]12CCCN1C(=O)N(c1cncc(Br)c1)C2=O 328595284 QBYGSQBMNYFKLD-LBPRGKRZSA-N 310.151 2.165 0 50 DEAA c1ccc(-c2noc(CN3CCN(C4CCCC4)CC3)n2)nc1 22851218 AZSNAGBBNLMMDN-UHFFFAOYSA-N 313.405 2.192 0 50 DEAA Cc1cc(C)n2c(-c3nc(Cc4ccccc4)n[nH]3)nnc2n1 67689026 NUEKEEHEYOTFJL-UHFFFAOYSA-N 305.345 2.117 0 50 DEAA Cc1ccc(N2CCC[C@@H](N(C)C[C@H]3CCCCO3)C2)nn1 248108975 JRRJMLLAOXJPFG-HZPDHXFCSA-N 304.438 2.255 0 50 DEAA CC(C)N1CCC[C@H](N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)C1=O 248754143 PDRWNGYVYJBXLZ-AJNGGQMLSA-N 308.422 2.104 0 50 DEAA O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CC(O)(C(F)F)C1 425009594 LDYRHFKQDJUNCI-UHFFFAOYSA-N 320.339 2.453 0 50 DEAA COc1ccc(/C=C/C(=O)N2CCCC[C@H]2C(=O)O)cc1F 314165975 UIBWWCQFGBUAHV-CFNZNRNTSA-N 307.321 2.313 0 50 DEAA OCC[C@@H]1CCc2ccccc2N1Cc1ncnn1CC(F)F 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2.426 0 50 DEAA Cc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1F 337166588 YKXFELHYAQIBTH-RRFJBIMHSA-N 307.365 2.136 0 50 DEAA Cc1cc(Cn2ncc(N(C)CCc3ccccc3)cc2=O)on1 72147342 CGXZUFPFYAGHCC-UHFFFAOYSA-N 324.384 2.267 0 50 DEAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C12CCCN1CCC2 365653622 MKMWZZOMSLETNY-UHFFFAOYSA-N 304.438 2.294 0 50 DEAA CCOC(=O)[C@@H]1C[C@]2(C(=O)Nc3c(C)cccc32)N2CCC[C@@H]12 15022585 DZKLHXXOODGCMW-IAISJRAMSA-N 314.385 2.190 0 50 DEAA O=C(CN1CCc2ccccc2C1)N1CCC[C@@H](c2ncc[nH]2)C1 77386475 TWMHFMBYPCUHMK-QGZVFWFLSA-N 324.428 2.174 0 50 DEAA Nc1nccc([C@H]2CCCN(C(=O)c3cc[nH]c3C3CC3)C2)n1 376094324 QWLZKSWZPIZISC-LBPRGKRZSA-N 311.389 2.284 0 50 DEAA O=C(O)C[C@H]1CN(S(=O)(=O)CCCCF)c2ccccc21 376674927 VCBJSBHOOFIEPN-NSHDSACASA-N 315.366 2.144 0 50 DEAA COc1cc(C(=O)O)ccc1CCNC(=O)[C@@H]1CC=CCC1 263301059 DENVZECZLMMSBB-CYBMUJFWSA-N 303.358 2.408 0 50 DEAA O=C([C@H](O)c1ccccc1F)N1CCC2(CCOCC2)CC1 223348974 TUZUZKHXLUYPGW-OAHLLOKOSA-N 307.365 2.278 0 50 DEAA Cn1c(C(=O)N2Cc3ccccc3OC(C)(C)C2)cccc1=O 290130302 NCEARIFWDAEDHA-UHFFFAOYSA-N 312.369 2.199 0 50 DEAA CC1(C)C[C@@H](NC(=O)c2c(F)cccc2-n2cccn2)CO1 617063753 YWXHFDVJMZWCRS-LLVKDONJSA-N 303.337 2.309 0 50 DEAA C[C@H]1CC(=O)c2cc(C(=O)NCc3ccccc3)c(=O)[nH]c2C1 49544543 FHRCUZCXQSPAOM-LLVKDONJSA-N 310.353 2.070 0 50 DEAA COc1ccc2cc(C(=O)N3CC(n4cccn4)C3)n(C)c2c1 426396703 YZFOTCPHZIECHG-UHFFFAOYSA-N 310.357 2.081 0 50 DEAA O=C(NC[C@H](O)c1c(Cl)cccc1Cl)C1CCNCC1 161792954 AEOHHWULIMYVRS-LBPRGKRZSA-N 317.216 2.143 0 50 DEAA C[C@H](NC(=O)c1cn(C)nc1C1CCCCC1)c1nc[nH]n1 267673880 DTINPVIXKKXNFH-JTQLQIEISA-N 302.382 2.077 0 50 DEAA CN(CC(=O)OC(C)(C)C)c1ncc(Br)cn1 180118307 RYROIDCJKXTNBR-UHFFFAOYSA-N 302.172 2.017 0 50 DEAA O=C(N[C@H]1CCCc2ccccc21)c1cnc(C2CC2)[nH]c1=O 97619436 ZQCWSTZMAGNXHO-HNNXBMFYSA-N 309.369 2.455 0 50 DEAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)C2(N)CC2)c1C 91943919 PHNWJMZFAMAZSS-HNNXBMFYSA-N 324.428 2.474 0 50 DEAA CN(CCc1ccccn1)C(=O)[C@H]1Cc2ccccc2CN1C 95372825 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c1ccc2c(c1)CN(Cc1noc([C@H]3CCCO3)n1)CCO2 670469727 CXFSPWXCOHXUJX-CQSZACIVSA-N 301.346 2.316 0 50 DEAA O=S(=O)(c1ccc2scnc2c1)N1CC[C@@]2(CCOC2)C1 952964093 OVNIIDWKNOVVPB-CQSZACIVSA-N 324.427 2.097 0 50 DEAA CCCc1c(Nc2cc(=O)n(C)c(O)n2)cnn1C1CCCC1 1875275750 HKVPHVSDOPGDKF-UHFFFAOYSA-N 317.393 2.494 0 50 DEAA Cc1occ(C(F)(F)F)c1CCNC(=O)c1cc(O)nn1C 1875301383 HPSBGAFNCOGGPZ-UHFFFAOYSA-N 317.267 2.018 0 50 DEAA COCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2ccc(C)[nH]2)o1 1875308606 NYOGZUZRKAEAPV-ZBEGNZNMSA-N 316.361 2.004 0 50 DEAA C/C=C/CN1CCC[C@H](CNC(=O)c2cnc(CC)nc2)C1 952868319 JQULSVKGEIWRAX-LYKUJDHUSA-N 302.422 2.057 0 50 DEAA CCN(CCN1CCCC1)S(=O)(=O)c1cc(C)sc1C 952873136 VTGIXTSSJRJHGF-UHFFFAOYSA-N 316.492 2.471 0 50 DEAA c1ccc(O[C@H]2CCN(c3ccnc(N4CCCC4)n3)C2)nc1 1775997032 REMLHWMXKOWEKC-AWEZNQCLSA-N 311.389 2.130 0 50 DEAA Cc1ccccc1-c1nc(CNC(=O)[C@@H]2CCCO[C@H]2C)no1 276863443 UVYHOYMHTPVIJG-GXTWGEPZSA-N 315.373 2.476 0 50 DEAA O=C1CC[C@@H](COC(=O)Cc2cccc(Cl)c2Cl)N1 170618045 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CN(C)CC(=O)N[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 12591409 QTIHKEKALCAHGY-ZDUSSCGKSA-N 318.465 2.465 0 50 DEAA COc1cccc(OCC(=O)N(C)CCC2CCOCC2)c1 154384302 CKUGJMHEWQFZME-UHFFFAOYSA-N 307.390 2.349 0 50 DEAA Cc1cc(C2CCN(C(=O)C[C@@H]3CCCC[C@@H]3N)CC2)n[nH]1 423875001 BGKBFSMQMASKPU-GJZGRUSLSA-N 304.438 2.332 0 50 DEAA CCc1oc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cc1C 328617419 CSNDMOQBFMHDPD-GFCCVEGCSA-N 302.378 2.002 0 50 DEAA Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[C@H](N)C2)CC1 237728912 LZCSTPKYZLCGEY-RDJZCZTQSA-N 315.461 2.203 0 50 DEAA Cc1cccc2c(CC(=O)N3CCC[C@H](C(=O)O)C3)c[nH]c12 237756993 GCMZMTDUKKQIAY-LBPRGKRZSA-N 300.358 2.342 0 50 DEAA CSCc1cccnc1C(=O)N1CCN2CCCC[C@H]2C1 352497579 LIOPSNFYVODCRQ-AWEZNQCLSA-N 305.447 2.255 0 50 DEAA CN(C)CC1CN(S(=O)(=O)c2csc3ccccc23)C1 583651402 KZFVMZZPYPQCJG-UHFFFAOYSA-N 310.444 2.083 0 50 DEAA CCn1cc([C@@H]2CSCCN2C(=O)c2c[nH]cc2C)cn1 585087469 QDZSIVDBNCBWRB-AWEZNQCLSA-N 304.419 2.470 0 50 DEAA O=C(c1c[nH]cc1Cc1ccccc1)N1CCN(C(=O)C2CC2)C1 823127473 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O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CCCCC1 92351 HKJRXOXQOQYSOP-UHFFFAOYSA-N 322.430 2.243 0 50 DEAA O=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccoc1 2532376 FHCOABVNXFNDRY-UHFFFAOYSA-N 315.398 2.117 0 50 DEAA COc1ccccc1OCc1ccc(C(=O)N2CCOCC2)o1 2836535 MYINRIXJDBYQQP-UHFFFAOYSA-N 317.341 2.340 0 50 DEAA CCCCN(Cc1ccccc1F)C(=O)Cn1cccnc1=O 55309083 KUWKZVQWEIICTO-UHFFFAOYSA-N 317.364 2.211 0 50 DEAA CCn1cc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)c(C)n1 20782866 HMCVYSKUWYAOMQ-KRWDZBQOSA-N 322.497 2.126 0 50 DEAA CCc1c(C)nn(CCNC(=O)Cc2csc(C)n2)c1C 65459427 UFHQNJQPFXHSSM-UHFFFAOYSA-N 306.435 2.186 0 50 DEAA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cc(C)on2)n1C 328656432 ZICMWSWHWZGLHI-HNNXBMFYSA-N 316.405 2.408 0 50 DEAA Clc1ccc(OCCN2CCN(c3ncccn3)CC2)cc1 20661016 ABNCAORXDSJLRP-UHFFFAOYSA-N 318.808 2.331 0 50 DEAA O=S(=O)(c1ccc(Cl)s1)N1CCOCC12CCC2 123687352 HEFIMKBVBJYNNA-UHFFFAOYSA-N 307.824 2.345 0 50 DEAA Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 57490 QWCJHSGMANYXCW-UHFFFAOYSA-N 314.370 2.255 0 50 DEAA biogenic,world COc1cccc(/C(C)=C/C(=O)N2CCC[C@@H](C(=O)O)C2)c1 128547954 VUSQAFLKSJUHOM-BRADTZPFSA-N 303.358 2.422 0 50 DEAA Cc1ccc2[nH]c(CCCNC(=O)[C@@H]3CCCO3)nc2c1C 219048194 RSLOWSUWAWRVPB-AWEZNQCLSA-N 301.390 2.408 0 50 DEAA Cc1nc(-c2nccn2Cc2ccc3c(c2)n(C)c(=O)n3C)co1 71776309 FGCUZBALLXKXNE-UHFFFAOYSA-N 323.356 2.085 0 50 DEAA CC(C)c1nccc(CN(C)CCCCN2CCOCC2)n1 215936500 NDTDYYMWKAEWJU-UHFFFAOYSA-N 306.454 2.144 0 50 DEAA Cc1ccc(-n2nnnc2N2CCC[C@@H](c3nccn3C)C2)cc1 373058819 OJSGVQOGWTXNTO-CQSZACIVSA-N 323.404 2.088 0 50 DEAA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(Cl)cc1OC 219334608 HZPFDSRMZMKUKS-GFCCVEGCSA-N 310.781 2.041 0 50 DEAA O=C(O)[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 262584106 GGYCACLWAOXURS-RYUDHWBXSA-N 312.329 2.008 0 50 DEAA CCC[C@@H]1CN(C(=O)c2cccc(C(=O)OC)c2)C[C@H]1N(C)C 82096844 FIKIKAIGFBPSKT-HZPDHXFCSA-N 318.417 2.276 0 50 DEAA O=C(O)[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)s2)C1 263519079 QAWPHMFHYFEAAJ-JTQLQIEISA-N 307.350 2.179 0 50 DEAA Cc1cc(=O)cc(C(=O)N(CC2CCC2)C[C@@H]2CCCO2)n1C 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N=c1[nH]cncc1C(=O)OC[C@H]1CCC[C@H](C(F)(F)F)C1 1875267187 TZNMMAKPEPZIPW-IUCAKERBSA-N 303.284 2.415 0 50 DEAA C[C@H](NC(=O)c1cc(O)nc(C2CC2)n1)c1cnn(C2CC2)c1 1875296500 ZQWBFDBBDGOYKO-VIFPVBQESA-N 313.361 2.082 0 50 DEAA CCc1ccccc1S(=O)(=O)N1CC[C@]2(C1)OC[C@@H]1C[C@@H]12 1875305468 SBJIVNJHJDMCHV-OFQRWUPVSA-N 307.415 2.049 0 50 DEAA CCc1ncnc(NC[C@@H]2CCO[C@@H]2c2nc(C)no2)c1F 886079906 MHAAKPSFWLDBFC-CABZTGNLSA-N 307.329 2.059 0 50 DEAA CC(C)n1ccc(CC(=O)Nc2cn(-c3ccccc3)nn2)n1 1337805598 SEBVVNLYUOTTPR-UHFFFAOYSA-N 310.361 2.226 0 50 DEAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NCCC1=CCCC1 275785411 YUIZNYQGENAKNX-KBPBESRZSA-N 304.394 2.050 0 50 DEAA C[C@@H](CC(=O)N1CCN(C)CC1(C)C)NC(=O)C1CCCCC1 408051228 NYOUSFPYSKGJEP-AWEZNQCLSA-N 323.481 2.014 0 50 DEAA CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)Cc1nc[nH]n1 633685925 HCUOYXOFCRBLHS-ZDUSSCGKSA-N 302.353 2.281 0 50 DEAA COCCn1nc(I)c2ccccc21 217990180 WEHFNELFMWIABQ-UHFFFAOYSA-N 302.115 2.287 0 50 DEAA CCS(=O)(=O)C[C@@H](C)NC(=O)N1CC2(CC2)c2ccccc21 172490894 GOERYRHTAHFXCW-GFCCVEGCSA-N 322.430 2.071 0 50 DEAA O=C(c1ccoc1Cl)N1CCCC[C@@H]1CN1CCOCC1 192316411 CMJSUWMKBBWYDR-GFCCVEGCSA-N 312.797 2.260 0 50 DEAA Cc1ccc([C@H]2CN(c3ccncc3C(N)=O)CCO2)c(C)c1 195563860 YZCLIIYHPVXCOF-QGZVFWFLSA-N 311.385 2.375 0 50 DEAA Cc1cc(CN[C@H](C)CCN2C(=O)c3ccccc3C2=O)on1 195566501 FMOVZLWVXMJDGZ-LLVKDONJSA-N 313.357 2.147 0 50 DEAA Clc1ccc(O[C@@H]2CCCN(CCC3OCCO3)C2)nc1 195565974 KKFPGYWHTYPAFN-CYBMUJFWSA-N 312.797 2.341 0 50 DEAA Cc1ncsc1CCN(C)C(=O)CCn1c(C)cccc1=O 1506396249 ISYLANCZSGUQQA-UHFFFAOYSA-N 319.430 2.013 0 50 DEAA COc1c(F)cccc1CN1C[C@H](O)[C@H](Cc2ccncc2)C1 1529095177 NAUZHAPKDJSUNI-WBVHZDCISA-N 316.376 2.265 0 50 DEAA CC(C)(C)OC(=O)NCCC(N)CCNC(=O)OC(C)(C)C 148320041 HHCXKPJNBRJOMU-UHFFFAOYSA-N 317.430 2.143 0 50 DEAA CCc1cc(NC(=O)NCc2cc(C(F)(F)F)nn2C)no1 1647454134 XVFCCYAUUWLSFT-UHFFFAOYSA-N 317.271 2.311 0 50 DEAA CC(C)NC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 11878611 CZISKWUAILZUSK-GFCCVEGCSA-N 309.797 2.149 0 50 DEAA O=C([C@@H]1CCOC1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857676078 OFJSDCXBULMYKM-CQSZACIVSA-N 311.385 2.040 0 50 DEAA OCCc1ccc(-n2ccnc2-c2cnn3cccnc23)cc1 1857704750 DWHASJJFFLSKOF-UHFFFAOYSA-N 305.341 2.117 0 50 DEAA CS(=O)(=O)NCCCN[C@@H]1CCCC[C@H]1c1ccccc1 221868621 DCXCYAXWFSWESW-JKSUJKDBSA-N 310.463 2.242 0 50 DEAA O=S(=O)(CCN1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 230193809 FSTOVBMZSBCFJH-HZPDHXFCSA-N 309.431 2.104 0 50 DEAA O=C(NC1CCC(C(=O)O)CC1)c1cnn2cccc(Cl)c12 659130590 LBROWUTWBLKNAX-UHFFFAOYSA-N 321.764 2.361 0 50 DEAA CC(C)(C)n1ncnc1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 253392339 DIOVPRJJKWHJOI-ZBFHGGJFSA-N 317.481 2.482 0 50 DEAA COc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)O)cc2)nn1 262726221 GNMIZVGEOCYETO-SNVBAGLBSA-N 315.329 2.001 0 50 DEAA Cc1nnc(-c2ccc(C(=O)N3CCC[C@@H](N(C)C)C3)cc2)o1 266144461 MMAPRJFGXWROME-OAHLLOKOSA-N 314.389 2.211 0 50 DEAA C[C@@H](NC(=O)[C@@H]1C[C@@]1(C(=O)O)c1ccccc1)c1ccns1 905117960 HCNYSAJHSMOJMA-RSAASHCRSA-N 316.382 2.363 0 50 DEAA O=C([C@@H]1C[C@H]1c1cccc(O)c1)N1CC(Oc2nccs2)C1 820030601 KFBOBEWJIBEJNG-UONOGXRCSA-N 316.382 2.242 0 50 DEAA Cc1nc(NC(=O)N2CCC[C@H](Cc3nccs3)C2)nn1C 931527857 TVEAHYMGUCYEOA-LLVKDONJSA-N 320.422 2.067 0 50 DEAA O=C1C[C@H](c2ccccc2F)c2c(n3ccsc3nc2=O)N1 4722046 PLTPEUUCTHGTDV-SECBINFHSA-N 315.329 2.369 0 50 DEAA Cc1cc2c(cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)CC1)OCCO2 2100557659 YKWZWROUDSBHSZ-TXEJJXNPSA-N 319.357 2.139 0 50 DEAA Fc1ccc(Cc2nnc3sc(-c4csnn4)nn23)cc1 36358951 ACZBAVMTEDBMGF-UHFFFAOYSA-N 318.362 2.434 0 50 DEAA CC(C)CC(=O)N[C@H](C(=O)NCC[C@H]1C[C@H](F)C1)C(C)C 2325781764 IEMVLXGIEIXBTL-YDHLFZDLSA-N 300.418 2.428 0 50 DEAA