smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 6243258 KWNVZOBIIXDKGR-JAORQVBISA-N 449.532 2.590 0 50 IFAA COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(C(=O)OC)cc3)CC2)c1 11879167 GFRPVRYDJJVEAP-UHFFFAOYSA-N 426.513 2.893 0 50 IFAA Cc1c(C(=O)N2CCN(c3ccccc3O)CC2)sc2ncnc(N[C@H]3CCOC3)c12 12190275 MOIXYIJYAXZCKW-HNNXBMFYSA-N 439.541 2.869 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F)NCC1(N2CCCCC2)CCCC1 12199033 KIACVOJRTQHUSQ-HXUWFJFHSA-N 448.558 2.570 0 50 IFAA NC(=O)[C@H]1CCCN(C2CCN(c3ccc(CC(=O)NCc4ccccc4)cc3)CC2)C1 14998220 LYPVTAMJEOWVOP-QFIPXVFZSA-N 434.584 2.712 0 50 IFAA CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(OC)c(OC)c1Cl)CC2 19835861 CORMJSQUVSFMBP-CQSZACIVSA-N 435.956 2.669 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCc1cscn1 20859633 VVKQYDDNGXHHAF-QFIPXVFZSA-N 434.565 2.860 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1)NCC1(N2CCCCC2)CCCCC1 55183152 OMLQNGLWWCWNDA-QFIPXVFZSA-N 444.595 2.821 0 50 IFAA O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)C1=Cc2cc(Br)ccc2OC1 225499550 TYDWNSVOHXLBGL-UHFFFAOYSA-N 448.317 2.596 0 50 IFAA COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089485 HGIZYCQVCPCBKM-AWEZNQCLSA-N 435.402 2.940 0 50 IFAA COc1cccc(-n2nnc(C(=O)Nc3ccc(CN4CCN(C5CC5)CC4)cn3)c2C)c1 1875264919 LPWUNGXPZWBKCJ-UHFFFAOYSA-N 447.543 2.512 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(C)cc2)cc1 916175 XWVJGPAMDDVHRT-UHFFFAOYSA-N 425.510 2.910 0 50 IFAA CCOc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 2812434 AZFCFDQQFRCOPY-UHFFFAOYSA-N 436.530 2.822 0 50 IFAA O=C(NCCCn1ccnc1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 9187568 LLNRXBXSWCEJRV-UHFFFAOYSA-N 426.480 2.714 0 50 IFAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 12481039 MVZGFIWRLXHKIU-KRWDZBQOSA-N 435.546 2.797 0 50 IFAA O=C(Cc1ccsc1)N1CCOc2ccc(CN3CCN(c4ncccn4)CC3)cc2C1 15007412 FRLITKKZVTVZOM-UHFFFAOYSA-N 449.580 2.824 0 50 IFAA O=C(c1cc(Cl)ccc1F)N1CCOc2ccc(CN3CCN(CCO)CC3)cc2C1 19744362 NOPCAMVREXCODZ-UHFFFAOYSA-N 447.938 2.624 0 50 IFAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)cc1 248383291 ZSEGZJLUJNPPPJ-SMTRIPRVSA-N 429.476 2.629 0 50 IFAA C=CC(=O)N1CCC(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)(c2ccccc2)CC1 1468925134 IDUGLJODTPICLS-UHFFFAOYSA-N 447.535 2.870 0 50 IFAA CC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H](C(=O)O)S1(=O)=O 1857782574 WFVTYHHXAJOMBD-IBGZPJMESA-N 429.494 2.898 0 50 IFAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(C(=O)c2ccc3c(c2)CCO3)CCCN1 1875241849 JILILLLEPDYZDV-HXUWFJFHSA-N 449.551 2.654 0 50 IFAA O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(O)nc2c1 2325702308 CDQSSCMZPDUJKL-QGZVFWFLSA-N 445.454 2.634 0 50 IFAA Cn1c(=O)c2c(nc(SCC(=O)c3ccccc3)n2Cc2ccc(F)cc2)n(C)c1=O 637693 MYOCVUHVYXAPIA-UHFFFAOYSA-N 438.484 2.596 0 50 IFAA O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc(S(=O)(=O)c2ccccc2)cc1 1132783 MBEIPGGCAQMIGP-UHFFFAOYSA-N 435.457 2.859 0 50 IFAA CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1893966 MICRODNJZKNSMX-RTWAWAEBSA-N 436.508 2.988 0 50 IFAA CCN(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1ccccc1 2879681 YKKCUXYCEFNFNV-UHFFFAOYSA-N 444.294 2.941 0 50 IFAA COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 4536458 SWPXBDJUGLEKES-UXHICEINSA-N 428.485 2.544 0 50 IFAA biogenic,in-vitro COc1cc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)cc(OC)c1OC 9678755 NVZGKEUBGLWHMZ-UHFFFAOYSA-N 442.556 2.946 0 50 IFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)[C@H](C)NC(C)=O)O3)c1 12218774 SLTYYOOKVYXRNA-SJCJKPOMSA-N 432.904 2.969 0 50 IFAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCC1C3CC4CC(C3)CC1C4)C2 14742442 CZSVPUVARUVHEO-GJBGWGSXSA-N 439.648 2.810 0 50 IFAA CCc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1 19836862 VWNRHUDMRTVMLS-UHFFFAOYSA-N 433.556 2.637 0 50 IFAA CCc1nn2c(nnc3c(=O)n(CCN4CCOCC4)ccc32)c1-c1ccc(Cl)cc1 40395955 UVRPYAYUICOQAM-UHFFFAOYSA-N 438.919 2.654 0 50 IFAA COc1ccc(CCNC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)cc1OC 169768853 UJSYEXYRMNCAII-UHFFFAOYSA-N 441.557 2.581 0 50 IFAA COc1cc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cc(OC)c1OC 169779723 KXKHJOOBYFJJLI-UHFFFAOYSA-N 438.484 2.606 0 50 IFAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Oc1ccccc1C(=O)Oc1ccccc1 245226317 QJUQTUHYQBIKIC-JYKFVMEGSA-N 443.455 2.864 0 50 IFAA CCCc1cnc(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)nc1 1857694786 JBPCSRZJZIFSMS-NRFANRHFSA-N 428.508 2.843 0 50 IFAA Cc1cc(C)cc(-c2cn(Cc3ccc(C(=O)N[C@@H]4CCO[C@@H](CC(=O)O)C4)o3)nn2)c1 1875353959 MFTACRHPHYBEGE-IEBWSBKVSA-N 438.484 2.955 0 50 IFAA CN(CCCc1nc(-c2ccc3c(O)ncnc3c2)no1)S(=O)(=O)c1ccc(F)cc1 2325736405 DONUIZQCJHGLAV-UHFFFAOYSA-N 443.460 2.778 0 50 IFAA Cc1nc(Br)sc1C(=O)N1C[C@H]2C[C@H](NC(=O)c3cncs3)C[C@H]2C1 2325876568 ZRBHAZRESWVEDZ-URLYPYJESA-N 441.376 2.951 0 50 IFAA CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)NC(C)(C)CO)c21 11790045 XBRDTGXSSKLJMU-UHFFFAOYSA-N 430.530 2.666 0 50 IFAA Cc1c(C(=O)NCCc2ccccc2)sc2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c12 12332327 SOEDPOTYRQUYDS-INIZCTEOSA-N 444.582 2.819 0 50 IFAA COc1cc(C(=O)N2CCN(C)C(=O)[C@@H]2C)ccc1OC1CCN(C2CCCC2)CC1 12595724 FTCIROMCYUYWME-KRWDZBQOSA-N 429.561 2.784 0 50 IFAA COc1cccc(C[C@H](C2CCN(C(=O)Cn3ccc(C)n3)CC2)N(C)C(=O)C2CC2)c1 14883154 BMUKBOQKWOBAII-HSZRJFAPSA-N 438.572 2.918 0 50 IFAA COc1ncccc1C(=O)N1CCC([C@]2(CCCc3ccccc3)NC(=O)NC2=O)CC1 14887117 WULIUJMHLZPQTA-DEOSSOPVSA-N 436.512 2.544 0 50 IFAA CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)O)CC2)cc1 17100620 KQQPTGAMJWINKN-VQTJNVASSA-N 436.574 2.609 0 50 IFAA Oc1ccc(CN2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)cc1Cl 23360661 CCGFSZVKSQPTHE-ISKFKSNPSA-N 429.992 2.841 0 50 IFAA CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCCc1ccccc1Br 109477703 LBAQTDROJKRPCR-UHFFFAOYSA-N 440.363 2.741 0 50 IFAA O=C(Nc1nccs1)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 253370314 PGUJAMLMEJPJMF-IMJJTQAJSA-N 449.554 2.875 0 50 IFAA Cc1cncc(CC(=O)N2CCC[C@@H]([C@@H]3CCCN(C(=O)c4cccc(C(N)=O)c4)C3)C2)c1 1875360081 YJTKQHRPDCZZOJ-DHIUTWEWSA-N 448.567 2.822 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 1220297 XGTPEQXASUFGBB-JKALPCAWSA-N 438.505 2.708 0 50 IFAA CCOC(=O)C(=CNc1ccc(NC=C(C(=O)OCC)C(=O)OCC)cc1)C(=O)OCC 3880252 LBJTXJHVTNBYDV-UHFFFAOYSA-N 448.472 2.531 0 50 IFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11698014 NSPLRUMOWOSLPL-UHFFFAOYSA-N 430.921 2.780 0 50 IFAA CCN1C(=O)C[C@@](CC(=O)N(C)C2CCOCC2)(c2cccc(C(F)(F)F)c2)C1=O 12160666 CSVKGYSFPKAENW-FQEVSTJZSA-N 426.435 2.750 0 50 IFAA COCc1ccc(C(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3ccccn3)C2)s1 14532958 WZERCZQXTVQRJF-GOSISDBHSA-N 431.558 2.815 0 50 IFAA COc1ccc(CN2CCN(CCOCCOc3ccccc3)CC2)c(OC)c1OC 20293439 PKOLKHQUHWNSTI-UHFFFAOYSA-N 430.545 2.926 0 50 IFAA O=C1C[C@](CC(=O)N2C[C@H]3CC[C@H]2C3)(c2ccccc2)C(=O)N1CCCOc1cccnc1 104426889 PIGYSKAOAMJDGD-ZVOVDXHFSA-N 447.535 2.948 0 50 IFAA O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1ccc(Cc2nnc3n2CCC3)cc1 170611399 VKIDCGRUGIVLQY-UHFFFAOYSA-N 442.479 2.839 0 50 IFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)CCc2ccc(N(C)C)cc2)cc1OC 1529114592 QOBXLIBUENZDMC-ISKFKSNPSA-N 428.529 2.663 0 50 IFAA COc1cc2[nH]ccc(=NCc3ccc(F)c(S(N)(=O)=O)c3)c2cc1Br 1875336365 YCVHXZQVBGQJQK-UHFFFAOYSA-N 440.294 2.826 0 50 IFAA CCc1cc(C(=O)N2CCC3(CC[C@@H](CNC(=O)c4ccccc4F)O3)CC2)n(C)n1 11839973 ZBPGSTCMRYHNLV-KRWDZBQOSA-N 428.508 2.705 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)N(CC2CC2)C[C@@H]2CCCO2)(c2ccccc2)C1=O 12098580 XAYMMWNXGJIZIK-OFVILXPXSA-N 442.556 2.528 0 50 IFAA O=C(NC[C@H]1COCCO1)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 12338153 WTILWKINFRCTGS-IBGZPJMESA-N 445.523 2.841 0 50 IFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCC[C@H]3CCCO)cc2)CC1 12570642 VEKFXWKRNPFKSV-FQEVSTJZSA-N 432.561 2.860 0 50 IFAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cnn(C)c1C)CC2 14750260 NDLSJJNUQPWFIJ-UHFFFAOYSA-N 439.560 2.564 0 50 IFAA COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N[C@@H]4CCOC4)c3C3CC3)ncc1CC2 14980452 BMFCKMSHNULVAZ-QGZVFWFLSA-N 431.496 2.833 0 50 IFAA C[C@@H]1C(=O)N2CCCc3cc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)cc1c32 15941380 YXAQJXPKTAZXIH-HNNXBMFYSA-N 429.517 2.733 0 50 IFAA CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 16475598 GPNGOQODRQQZIM-UHFFFAOYSA-N 446.525 2.896 0 50 IFAA COc1cccc(-c2cc3n(n2)[C@@H](NCCCN2CCc4ccccc4C2)CNC3=O)c1 263615647 DKHDZFBTKLPXKU-XMMPIXPASA-N 431.540 2.839 0 50 IFAA COc1ccc(C(=O)Nc2cc3c(N4C[C@H](C)O[C@H](C)C4)ncnc3nc2O)cc1OC 390834827 FXBZQUSHUJWAPN-BETUJISGSA-N 439.472 2.614 0 50 IFAA Cn1cc(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)c(=O)n(C)c1=O 759332786 QPRBREIBGBCRIZ-QGZVFWFLSA-N 446.276 2.505 0 50 IFAA COc1cccc(Oc2ccc(NC(=O)C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cn2)c1 824788002 UFCPPTMETKCJMT-GOSISDBHSA-N 445.541 2.720 0 50 IFAA CC(C)(C)c1nocc1CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 2325826126 PUPUGYGBSONXTH-UHFFFAOYSA-N 444.307 2.544 0 50 IFAA CS(=O)(=O)N1CCC(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)CC1 2805208 NAEYCHHFZQWITG-UHFFFAOYSA-N 430.452 2.560 0 50 IFAA CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)NCCc1ccccc1 2860629 BYDQRSKTZUOQAZ-UHFFFAOYSA-N 429.571 2.741 0 50 IFAA CCC(=O)[C@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1 11838354 ICSGLXVXPHXCKL-IBGZPJMESA-N 430.545 2.924 0 50 IFAA COC(=O)CCCC(=O)N(CCCN(C)C)CC1CCN(C2Cc3ccccc3C2)CC1 12709690 QOZCCSXCUGEACU-UHFFFAOYSA-N 443.632 2.989 0 50 IFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2ccc4ccccc4n2)CCO3)CC1 14965210 HMTZEPDPWQWTFV-UHFFFAOYSA-N 444.535 2.934 0 50 IFAA CCS(=O)(=O)c1ncc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1CCOC 19743933 SJTUVVCUSHQYOA-INIZCTEOSA-N 431.562 2.579 0 50 IFAA COc1ccc(OC)c(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)c1 20910080 FMGGIKJFDCZWQG-UHFFFAOYSA-N 441.576 2.593 0 50 IFAA CCOc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccc3OC)CC2)n1 54274359 ZHEQZHRLVZWONO-UHFFFAOYSA-N 435.532 2.927 0 50 IFAA Cc1cccnc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 170621601 DTKMXWPBZGFTFA-UHFFFAOYSA-N 444.340 2.648 0 50 IFAA C[C@]12C(=O)N(CCCCCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@@]4(C)C3=O)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 239403190 RPIRGQBOYWGCNC-KTRZHKNVSA-N 436.552 2.941 0 50 IFAA Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cnc4c(c3)c(C)nn4C)C2)cc1 261404537 ZSSHUQKGPAOEEL-GOSISDBHSA-N 427.574 2.776 0 50 IFAA Cc1cccn2c(=O)cc(CSCCN(C)Cc3cc(=O)n4cccc(C)c4n3)nc12 328593560 IVTYCYQNMDNNLR-UHFFFAOYSA-N 435.553 2.684 0 50 IFAA CS(=O)(=O)N1CCC[C@H](c2nnc3sc(Cc4cccc(C(F)(F)F)c4)nn23)C1 951726939 QZVIEMKQIBSAHE-LBPRGKRZSA-N 445.492 2.934 0 50 IFAA C[C@@H]1C[C@H]1N1C[C@H](NC(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)CC1=O 1875263778 OOZBCSDVQCGHGQ-LSBZLQRGSA-N 441.557 2.778 0 50 IFAA CN(C/C=C/CN(C)C1CCN(C2CCOCC2)CC1)C1CCN(C2CCOCC2)CC1 2325701135 LSGLJKCGAWDANA-ONEGZZNKSA-N 448.696 2.693 0 50 IFAA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccco4)c(=O)n32)cc1 12614246 HEYRKMUTTYGXLP-JKALPCAWSA-N 438.505 2.788 0 50 IFAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 14882747 BQRQKMYVTNXGHL-CQSZACIVSA-N 425.455 2.569 0 50 IFAA COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc2c(n1)OCCN2C(=O)C(C)(C)C 71765653 KEFLLIICCJUNDI-GJZGRUSLSA-N 447.532 2.977 0 50 IFAA Cc1ccc(N2CCN(C(=O)CCn3ccn4nc5c(c4c3=O)CCCC5)CC2)c(C)c1 169779618 GKMHEMLUCNHLQT-UHFFFAOYSA-N 433.556 2.731 0 50 IFAA COC(=O)c1nc(NC(=O)C[C@H]2N=C(O)N(Cc3ccccc3)C2=O)sc1CC(C)C 252540605 PQQPNTRBJYIOAK-CQSZACIVSA-N 444.513 2.782 0 50 IFAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc4ccccc42)C1=O)CC3 779032420 FAPCGRXUURHRCA-MRDQGFSESA-N 442.519 2.843 0 50 IFAA CS(=O)(=O)N1CCC[C@H](c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)C1 951726952 RMIFTCCZOQDKNQ-KRWDZBQOSA-N 431.587 2.794 0 50 IFAA CS(=O)(=O)c1ccc(CCNC(=O)NC[C@H](CO)Cc2c(F)cccc2Cl)cc1 1875261046 PRDLKLLWGXOTPK-OAHLLOKOSA-N 442.940 2.576 0 50 IFAA O=C1NCCN(S(=O)(=O)c2c(Br)cc3ccccc3c2F)C12CCC2 1875354727 NDADHVBXLCVDBT-UHFFFAOYSA-N 427.295 2.785 0 50 IFAA C=CC(=O)N1CCC(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)(c2ccccc2)CC1 1875369585 WYRSXJMHLUUQNV-SANMLTNESA-N 429.520 2.855 0 50 IFAA Cc1ccc(-c2cnccn2)cc1NC(=O)C(=O)N1CCN(C2Cc3ccccc3C2)CC1 2325742833 VPIQJCNKCBVHKQ-UHFFFAOYSA-N 441.535 2.702 0 50 IFAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1 1108282 QVVYDKWMMLYUGC-UHFFFAOYSA-N 429.542 2.744 0 50 IFAA Cc1ccc(N2C(=O)[C@@](NS(=O)(=O)c3ccccc3)(C(F)(F)F)N=C2O)cc1C 2863456 WWZCWZZPUWPPRN-QGZVFWFLSA-N 427.404 2.801 0 50 IFAA O=C(COc1ccccc1)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2 8951543 NOMIMWNSISPWEH-AWEZNQCLSA-N 448.566 2.561 0 50 IFAA CCOC(=O)c1nn(CCc2ccc(OC)cc2)c2c1CN(C(=O)c1cncs1)CC2 14750688 CINUFIDXMXNCLK-UHFFFAOYSA-N 440.525 2.966 0 50 IFAA COc1ccc(C)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O 15936367 ZMUHOLHSVMMYMU-HNNXBMFYSA-N 445.541 2.608 0 50 IFAA CO[C@H](C(=O)N1CCc2c(c(C(=O)N(C)C)nn2CCC(F)(F)F)C1)c1ccccc1 19740226 GEIVOILRFHOOQS-SFHVURJKSA-N 438.450 2.810 0 50 IFAA CCN(CC)CCN(CC)Cc1cnc(S(=O)(=O)C2CCCC2)n1CCCOC 20203453 BZDQDTGDFWDOHJ-UHFFFAOYSA-N 428.643 2.800 0 50 IFAA COC(=O)C1=CC[C@]23CC[C@@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O 100013484 VDGOFNMYZYBUDT-RMESQWPQSA-N 432.469 2.871 0 50 IFAA in-vitro O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 495246558 GEUCVVNFQNJCCY-SFWMWCCXSA-N 445.510 2.675 0 50 IFAA O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 1875255966 UIDIHRFUMKXMNO-HXUWFJFHSA-N 443.511 2.737 0 50 IFAA O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)N[C@H]1CCCN(c2ccc(F)cc2F)C1=O 2325827288 BIMJCGAETQKKGM-WMZOPIPTSA-N 434.487 2.551 0 50 IFAA C[C@H]1c2ccccc2C[C@@H](C)N1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325901585 MGGBFSNPQDWMNY-WIEQDCTASA-N 431.492 2.596 0 50 IFAA O=C(c1cnc(-c2ccccn2)nc1)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356165265 AIQXQKVOKVSHAB-DEOSSOPVSA-N 428.496 2.731 0 50 IFAA CCc1ccc(NC(=O)Cn2c(Nc3ccc(CC)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 637894 DPVISQURVDZMKV-UHFFFAOYSA-N 446.511 2.930 0 50 IFAA biogenic COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 949249 XOOUIDPWHFEMJX-UHFFFAOYSA-N 448.888 2.957 0 50 IFAA O=S(=O)(O)Oc1ccc(C(c2ccc(OS(=O)(=O)O)cc2)c2ccccn2)cc1 3873921 UJIDKYTZIQTXPM-UHFFFAOYSA-N 437.451 2.625 0 50 IFAA fda COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCCCc2ccccc2)c1 12595927 DZIVAKXBKUYGNM-HSZRJFAPSA-N 428.573 2.614 0 50 IFAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ncc(C)[nH]1)CC2 14744017 WHJSGHHRLXAKSU-UHFFFAOYSA-N 425.533 2.554 0 50 IFAA COC(=O)c1cc(CNC(=O)Cn2nc(C)cc2C)cc(NC(=O)c2ccccc2F)c1 14974630 OMXWBTUWZSFTNV-UHFFFAOYSA-N 438.459 2.994 0 50 IFAA CC(C)N1CCN(C(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)CC1 15068231 MNMIHPBEZIEAJV-UHFFFAOYSA-N 428.577 2.660 0 50 IFAA Cc1cc(C)c(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1C 20991917 FVXHUJMIJJSWAH-UHFFFAOYSA-N 432.572 2.906 0 50 IFAA O=C1NCCN(Cc2cccc(C(F)(F)F)c2)[C@H]1CC(=O)N1CCOc2ccccc2C1 55383845 WOFGOTOAQBJRRG-IBGZPJMESA-N 447.457 2.817 0 50 IFAA COc1ccc(CNCCc2ccccc2Cl)c(OC[C@@H](O)CN2CCN(C)CC2)c1 96775240 IEJJKCCEXBMTAF-NRFANRHFSA-N 448.007 2.668 0 50 IFAA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 252550654 SWQLGKBVXBXXBE-CTNGQTDRSA-N 446.592 2.682 0 50 IFAA NS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)c1 804408356 IAFKEBDLZFXWAZ-OAQYLSRUSA-N 428.485 2.849 0 50 IFAA C=CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccnn2C)c1 1875372203 ZUXCYIQXRVHTNO-IBGZPJMESA-N 439.516 2.979 0 50 IFAA O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1C(=O)[C@@]1(C2CCCC2)CCNC1=O 2325850573 BPRFJSBHWWJUHR-OPAMFIHVSA-N 426.542 2.922 0 50 IFAA O=C1c2ccccc2CC=CCOC[C@]2(CCCNC2)C(=O)NC[C@]23CCC[C@H]2CN1C3 2325893994 GNKGHWPBWQTYGM-OUIFVKKZSA-N 437.584 2.544 0 50 IFAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2Cc1ccccc1Br 625909 CDTLSTCSJXCXPT-UHFFFAOYSA-N 432.322 2.615 0 50 IFAA COC(=O)c1c(NC(=S)N2CCN(c3ncccn3)CC2)sc2c1CC[C@H](C)C2 1118009 XYERRKCFGODVIM-ZDUSSCGKSA-N 431.587 2.969 0 50 IFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 1234748 WFHDTZUJAOUMAI-UHFFFAOYSA-N 426.425 2.505 0 50 IFAA O=C1[C@H]2C3C=CC([C@H]2C(=O)N1c1ccc(F)cc1)[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)[C@@H]31 2305169 ZKXHQSHCOVDPJB-ICDVORIESA-N 434.398 2.692 0 50 IFAA CCOC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 9075469 YSXRGUIBWUOMJG-RDJZCZTQSA-N 442.269 2.746 0 50 IFAA COc1cc(C(=O)N2CCC[C@@H]2c2nonc2C)ccc1OC1CCN(C(C)=O)CC1 12303623 RHBTVXCUOBWZGO-GOSISDBHSA-N 428.489 2.754 0 50 IFAA COc1cccc(CO[C@@H]2CN(Cc3cnn(C)c3)CC(=O)N(CCc3ccccc3)C2)c1 14531392 YUONTMLBMZTFGL-RUZDIDTESA-N 448.567 2.901 0 50 IFAA CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)CCOc2ccccc2)CC1=O 14532028 RUXXAMCASWBKOA-JOCHJYFZSA-N 425.529 2.763 0 50 IFAA COc1cc(C[C@@H](C)N2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)ccc1O 14539445 UNGVBRRGDNXYTA-QGZVFWFLSA-N 438.528 2.656 0 50 IFAA O=C1CCCN1CCCN1C[C@H](OCc2ccccc2)CN(Cc2cccs2)CC1=O 14542418 HJDAPFIITZWERW-OAQYLSRUSA-N 441.597 2.990 0 50 IFAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccncc1)CC2 14743304 LDHIHQKVKSMLII-UHFFFAOYSA-N 438.528 2.536 0 50 IFAA Cc1nonc1CN(C)C(=O)c1cc(NCCC(C)C)cc(S(=O)(=O)NC(C)C)c1 14751891 YMYBCLKRQAHPGV-UHFFFAOYSA-N 437.566 2.795 0 50 IFAA COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 170597358 YCJCADYRKJCOOY-ZBFHGGJFSA-N 429.439 2.693 0 50 IFAA O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc(F)cc1 245329484 ZNMFUECAVDMKNF-AVJFOWIRSA-N 441.462 2.993 0 50 IFAA O=C(COc1ccccc1)NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 263615725 DVMQVMGKPGNTJK-XMMPIXPASA-N 447.539 2.709 0 50 IFAA Cc1cc(N2CC[C@H](NC(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C2=O)n(C)n1 464114299 JUKAJJGIAGAAND-ZDUSSCGKSA-N 444.845 2.519 0 50 IFAA O=C1C[C@@H](C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3ccccc3)CC2)C2(CCCC2)O1 952980740 IDFJLQLUYWEUPJ-FQEVSTJZSA-N 446.569 2.707 0 50 IFAA COc1ccsc1S(=O)(=O)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 1875261721 CVNXTHNWOGDDPC-UHFFFAOYSA-N 433.389 2.944 0 50 IFAA CC1(C)Cc2ccccc2N(C(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325896474 ZRENAKOMXJXDCD-FQEVSTJZSA-N 431.492 2.677 0 50 IFAA Cn1ccc2ccc(CN3CCC4(CCc5c(O)nc(N6CCOCC6)nc54)CC3)cc21 2356139744 WIBXLQNRKHZDQG-UHFFFAOYSA-N 433.556 2.991 0 50 IFAA COc1cccc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)c1 1071605 GFTAYAMKBDOSFC-UHFFFAOYSA-N 440.500 2.922 0 50 IFAA CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)nc(N3CCOCC3)nn2c1C 1205961 CBZLSQAQCZPEJL-UHFFFAOYSA-N 438.484 2.895 0 50 IFAA Cc1nn(C)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)c1Br 2777935 ZDKUQXPDKANLMM-UHFFFAOYSA-N 436.335 2.834 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](C)n3nc(C)c(Cl)c3C)CC2)cc1 10233282 AOBAPUJDCGUCGA-OAHLLOKOSA-N 438.981 2.946 0 50 IFAA O=C1NCCN(Cc2ccc(F)cc2)[C@@H]1CC(=O)N1CCC(OCc2ccccc2)CC1 11661832 KWRLRILWDNFLOF-HSZRJFAPSA-N 439.531 2.724 0 50 IFAA COc1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2cccn2)cc1OCC1(C)COC1 11813600 MARCUQXNNGRECL-LJQANCHMSA-N 429.517 2.515 0 50 IFAA O=C(CCn1cncn1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 14971146 UUWFCNSFLLKWGK-XMMPIXPASA-N 437.588 2.555 0 50 IFAA Cc1cc(=O)c(C(=O)N2CCN(C)CC2)c(CCc2ccccc2)n1Cc1ccncc1 20783614 GZINUVBPTYKVOE-UHFFFAOYSA-N 430.552 2.773 0 50 IFAA Cc1cc(=O)oc2cc(NC(=O)Cn3cnc4c(cnn4-c4ccccc4)c3=O)ccc12 49967595 MDCLRGPTSCQIEQ-UHFFFAOYSA-N 427.420 2.636 0 50 IFAA COc1ccc(C2=NN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)[C@H](c3ccco3)C2)cc1 241815962 SEMNONKIKNRDCV-GGPKGHCWSA-N 433.464 2.917 0 50 IFAA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)Cc3ccc(OC)c(OC)c3)CC2)nn1 244646977 GSSPNXLUKQFIQL-HDICACEKSA-N 443.548 2.620 0 50 IFAA O=C(c1ccoc1)N1CCC(NS(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 253420700 ZTMUMOJHWMVJCH-UHFFFAOYSA-N 448.726 2.674 0 50 IFAA COc1ccccc1[C@]1(CC(=O)N2CCC[C@@H](OC)C2)CC(=O)N(C2CCCC2)C1=O 299774861 JJQNKLJWJFZUPX-KOSHJBKYSA-N 428.529 2.662 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)N[C@@H](C)c2nccs2)(c2ccccc2C)C1=O 299794408 KQRAMXMFCYDLTQ-AOMKIAJQSA-N 429.542 2.752 0 50 IFAA CC(C)n1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)cc2c1=O 334162062 NMPGKMYVLWJGDI-JENIJYKNSA-N 429.546 2.642 0 50 IFAA CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)C(=O)Nc3ccc4[nH]c(C)cc4c3)c2)n1 435250672 UJVNNHJNXLNFRB-UHFFFAOYSA-N 446.467 2.693 0 50 IFAA O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc(Cn3cccn3)on2)C1)c1ccccc1 498531129 ZZBROMNSLPEHNT-QGZVFWFLSA-N 445.483 2.915 0 50 IFAA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 1339064289 YTWLXCSEJHZBSI-ROMRWMGNSA-N 441.576 2.537 0 50 IFAA Cc1nc(Br)sc1C(=O)N1C[C@@H]2CC(NC(=O)c3cncs3)C[C@H]2C1 2325876569 ZRBHAZRESWVEDZ-UWVGGRQHSA-N 441.376 2.951 0 50 IFAA Cc1ccc(S(=O)(=O)NC(C)(C)CSc2nncn2NC(=O)c2ccccc2)cc1 1115411 VCZTZEJSWODAOF-UHFFFAOYSA-N 445.570 2.820 0 50 IFAA COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)NCCN1C(=S)Nc1ccccc1 1119298 ICIVUDRFDPRSCL-INIZCTEOSA-N 432.933 2.875 0 50 IFAA COCCN1CCC(CN(C)Cc2cnc(S(C)(=O)=O)n2CC2CCCCC2)CC1 12432911 GPLGPXMZLBMRSL-UHFFFAOYSA-N 440.654 2.657 0 50 IFAA O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1coc(CN2CCc3ccccc3C2)n1 14977931 WOAPHRVLYAHNMY-SFHVURJKSA-N 432.528 2.669 0 50 IFAA CCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 15065087 UKAMZWZBCFSQKV-QGZVFWFLSA-N 444.981 2.784 0 50 IFAA COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc4ccccc4o2)CC3)o1 20774766 AVYUUWLOJADOOV-UHFFFAOYSA-N 435.484 2.752 0 50 IFAA CN(Cc1ccon1)C(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 55369332 KAILFXNEKKWHLV-QHCPKHFHSA-N 432.524 2.656 0 50 IFAA O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)N1CC[C@]2(C1)OCc1ccccc12 474434522 RBOQJBSNJYESFO-XMMPIXPASA-N 432.455 2.817 0 50 IFAA CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1 776569193 VVDHHQXLDWTODK-OAHLLOKOSA-N 430.530 2.718 0 50 IFAA Cc1cc(=NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)[nH]o1 2325737893 OQPBZUARQFWWNG-NHYWBVRUSA-N 440.283 2.887 0 50 IFAA O=C(CCCN1C(=O)c2ccccc2C1=O)O[C@H]1CSC[C@@H]1NC(=O)c1ccccc1 1070904 RAJPRPMKDJYCLH-OALUTQOASA-N 438.505 2.520 0 50 IFAA COc1cccc(N2CCN(Cc3nc(N)nc(N4CCCc5ccccc54)n3)CC2)c1 1419213 DRBZYDQLNLYGTC-UHFFFAOYSA-N 431.544 2.869 0 50 IFAA CC(=O)Nc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 2836873 XBZPDBIXFZOWSK-UHFFFAOYSA-N 440.319 2.667 0 50 IFAA CCOC(=O)C1CCN(C(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)CC1 8683742 XFMGBFCRNYINFP-UHFFFAOYSA-N 430.526 2.927 0 50 IFAA Cc1ccsc1S(=O)(=O)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 11956993 GHBCBWZZXFTSHS-KRWDZBQOSA-N 428.601 2.577 0 50 IFAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 14745874 YFJMGEGNDXJECV-UHFFFAOYSA-N 438.528 2.623 0 50 IFAA O=C(NCCCCCN1CCOCC1)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 20202416 LJAMKVRUDFGGSD-UHFFFAOYSA-N 425.455 2.578 0 50 IFAA c1ccc(CNc2nc3nonc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 55226257 QKTPKRWSFKXVQZ-UHFFFAOYSA-N 445.483 2.676 0 50 IFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)n1 82230626 MZTIABMELVXBQH-UHFFFAOYSA-N 430.556 2.652 0 50 IFAA CCOC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)C(=O)[C@@H]1COC(C)(C)CC1=N2 101288355 RRJSXEGKEFQWHH-CQSZACIVSA-N 441.509 2.972 0 50 IFAA COCCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCO2)C[C@@H]1C 252503484 VDKDZQUEIAPUKF-RBBKRZOGSA-N 443.592 2.810 0 50 IFAA O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 252516313 RRMKGXDODDKGHU-MZFHRINRSA-N 434.540 2.925 0 50 IFAA Cc1c(C)[n+]([O-])c([C@H](c2cccnc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263588305 ROPAVARYPGERTI-LJQANCHMSA-N 435.480 2.766 0 50 IFAA O=C(NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2F)C3)CC1)C1CCCC1 263615064 AJURZMVWIIELRU-JOCHJYFZSA-N 427.524 2.960 0 50 IFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2Cc2ccc(OC(C)C)c(CO)c2)cc1OC 1529197459 QRBYUIYCINUHCC-DNQXCXABSA-N 431.529 2.918 0 50 IFAA COc1ccc(Br)cc1[C@H](CO)NC(=O)CCCNC(=O)c1ccccc1 1875255939 JPLOWYCGBXYVPZ-KRWDZBQOSA-N 435.318 2.818 0 50 IFAA COc1ccc(-c2cc(NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)ncn2)cc1 1875357269 YVZWAWYSZJZYQQ-UHFFFAOYSA-N 433.511 2.665 0 50 IFAA CCCCn1c(=O)nc(O)c2c1nc(CN1CCC(n3cncn3)CC1)n2CCC(C)C 2325729508 UDJHDCSNHPXQGC-UHFFFAOYSA-N 442.568 2.573 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3COc4ccccc4O3)CC1)OCC2 2356143464 ITMNMEJDNDVOTL-QFIPXVFZSA-N 425.481 2.934 0 50 IFAA COc1ccc(CCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1OC 9659675 VUWZPBFKWKJXPU-UHFFFAOYSA-N 434.558 2.952 0 50 IFAA CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 68243534 PIOIVHHIGWTEJQ-UHFFFAOYSA-N 441.576 2.536 0 50 IFAA COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NC(C)C)CC4)c3CO2)cc1 169758859 DGTUFDINQACKCG-FQEVSTJZSA-N 426.517 2.540 0 50 IFAA O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1C1CCCCC1)[C@@H]1[C@H]3[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 245231859 KSOCXRSCFJVURG-QSWMWHTMSA-N 436.552 2.916 0 50 IFAA CC(C)CC(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)N(CCN(C)C)C2=O)CC1 299783753 WUZXQAPZWRJQJL-RUZDIDTESA-N 442.604 2.756 0 50 IFAA O=C([C@@H](O)c1ccc(Cl)cc1Cl)N1CCO[C@@H](Cn2cc(-c3ccncc3)nn2)C1 1875358309 QYFJCNQOQVJFLJ-BEFAXECRSA-N 448.310 2.608 0 50 IFAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 862485 ATVOSSIRTDARCB-LJQANCHMSA-N 427.457 2.988 0 50 IFAA CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(Cc1nccs1)C2 20513530 XGGGHYANOFTUHX-UHFFFAOYSA-N 436.585 2.880 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2[S@@](=O)CC)cc1 170655814 YZMHUSFEMXWLAV-AXXYEVQWSA-N 440.631 2.926 0 50 IFAA CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN(C)[C@H]1CCC[C@H]1S(C)(=O)=O 241439851 NMTXQZCODOMEJM-JKSUJKDBSA-N 444.619 2.959 0 50 IFAA Cc1ccc(N(C(=O)COC(=O)c2ccc3n[nH]cc3c2)[C@H]2C=CS(=O)(=O)C2)cc1C 769944323 DDGTYKZDCZQMKC-IBGZPJMESA-N 439.493 2.680 0 50 IFAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(Cc4cscn4)C[C@]34CC[C@H]2O4)cc1OC 1704332728 UHQYSVVFJHLYKW-KCXPTXFHSA-N 429.542 2.570 0 50 IFAA COc1ccc2[nH]c(=O)c(C(=O)N[C@H](C)c3cccc(N4CCCS4(=O)=O)c3)cc2c1 1875254273 LUNMHVSIPIAAQG-CQSZACIVSA-N 441.509 2.568 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)N(CCO)C(=O)[C@@H](c2ccc(C)cc2)C2CC2)cc1 2325841617 BKYTWOKAPKDATM-NRFANRHFSA-N 430.526 2.657 0 50 IFAA COc1cccc2cccc(C(=O)Nc3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4)c12 2325895938 MZGAVYPFVCOUGK-LJQANCHMSA-N 443.459 2.862 0 50 IFAA C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 11788194 WMHPQSNKHSKAFM-INIZCTEOSA-N 441.482 2.871 0 50 IFAA CC(=O)NCCNC(=O)c1cc(NCC(C)C)cc(S(=O)(=O)Nc2ccccc2C)c1 14540629 RSBPAUDNGIZWMK-UHFFFAOYSA-N 446.573 2.730 0 50 IFAA CCc1ccc(CN2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCOC)o1 14741339 BWCRHNMEFAQCNU-UHFFFAOYSA-N 426.517 2.682 0 50 IFAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1ccc[n+]([O-])c1)CC2 14742478 IWVCOQPZVRIYCQ-UHFFFAOYSA-N 434.496 2.525 0 50 IFAA COc1cc(C)c(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1C 19607013 FOFNBGGYPUEWEP-SFHVURJKSA-N 441.576 2.566 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccccc1Cl 22034105 ZBLZOTRWAZSFLA-DPWKNNTCSA-N 439.924 2.847 0 50 IFAA Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1 70466463 SYYBDNPGDKKJDU-ZDUSSCGKSA-N 436.310 2.867 0 50 IFAA investigational COc1ccc(Cn2c(C3CCN(C(=O)c4ccc(F)c(F)c4)CC3)n[nH]c2=O)cc1 169777366 AVGKKIKURWLFMI-UHFFFAOYSA-N 428.439 2.926 0 50 IFAA COc1ccc([C@@H](CN2C(=O)CN(Cc3cc(OC)cc(OC)c3)C2=O)N(C)C)cc1 225450799 LGGMJXNIXUVFQH-OAQYLSRUSA-N 427.501 2.780 0 50 IFAA COCc1nnc(-c2cccc(C(=O)NS(=O)(=O)c3ccc4c(c3)C(=O)CCC4)c2)o1 811209793 JFGHODAXGVQHCA-UHFFFAOYSA-N 441.465 2.521 0 50 IFAA O=C1CO[C@H](C(=O)NCCOc2cccc3cccnc23)[C@@H](c2ccccc2Cl)N1 2100483479 XBRUZPRPPCVHLY-RTWAWAEBSA-N 425.872 2.640 0 50 IFAA COc1cc(OC)c2cc(C(=O)N3C[C@@H](C[C@@H]4COCC(=O)N4)c4ccccc43)[nH]c2c1 2325826707 JYWUOZLCVAHLSH-HUUCEWRRSA-N 435.480 2.834 0 50 IFAA COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2cccnc2)cc1 857073 JYRJICARWPGOFT-UHFFFAOYSA-N 439.537 2.640 0 50 IFAA CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2CC)cc1 1122845 VVHXNZBWIUINEX-UHFFFAOYSA-N 429.502 2.951 0 50 IFAA Cc1nc(N2CCC(C(=O)N3CCCC[C@H]3C)CC2)nc2cc(S(C)(=O)=O)ccc12 11872528 DIXKPOJXOYXIKK-OAHLLOKOSA-N 430.574 2.959 0 50 IFAA O=C(CCC1CCN(C(=O)C2CCOCC2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 12076778 GWZBBQCBAQCWRK-QHCPKHFHSA-N 427.589 2.823 0 50 IFAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)c1=O 12152693 SANMDHMHULSVRE-UHFFFAOYSA-N 438.572 2.833 0 50 IFAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN([C@@H](C)CCn2cccn2)CC3)cc1 14753953 GBTOIEHPTOSXOB-IBGZPJMESA-N 439.560 2.642 0 50 IFAA COCCN(C)C(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C1CC1 14995870 KIFNQMNNPCGEET-UHFFFAOYSA-N 437.500 2.942 0 50 IFAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N[C@H](C)CN4CCOCC4)c3n2)cc1 19456343 XPOOYMSVUQUEOF-CQSZACIVSA-N 445.470 2.793 0 50 IFAA CCOC(=O)c1c(CN2CCOCC2)n(C)c2cc(Br)c(OC(C)=O)cc12 19818046 GMMNGRRRQKADRU-UHFFFAOYSA-N 439.306 2.875 0 50 IFAA biogenic CCN1CCN(C(=O)c2cc3c(=O)n4cccc(C)c4nc3n2Cc2ccccc2)CC1 55565742 DNFIDMMWKQZMEC-UHFFFAOYSA-N 429.524 2.784 0 50 IFAA Cc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(-n2cnc(C)c2C)n1 72446823 GARVOOZKFJXJEW-UHFFFAOYSA-N 440.935 2.969 0 50 IFAA COC[C@@H]1CCCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)C1 76910774 AYBJEWWPEGSUAW-QGZVFWFLSA-N 430.545 2.974 0 50 IFAA CCCc1noc(-c2cn(C3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)nn2)n1 169777402 AJEQTUDAAZLCQI-UHFFFAOYSA-N 426.477 2.775 0 50 IFAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)C2 229498226 QIYCCCZJDWTPDN-QSFXBCCZSA-N 426.604 2.964 0 50 IFAA C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 915259412 HXKSMVMLBLDRRX-JXFKEZNVSA-N 432.480 2.724 0 50 IFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1=O 2325819356 BYKIQWVUHQINDN-UZLBHIALSA-N 426.538 2.980 0 50 IFAA Cc1cnc2c(C(=O)NC3(CNC(=O)[C@@H](C)OC4CCCCCC4)CCC3)cnn2c1 2325828741 PWNQBTSITLYWNV-QGZVFWFLSA-N 427.549 2.934 0 50 IFAA CCOc1ccc(CCNC(=O)c2cnc3sc(N4CCCCC4)nn3c2=O)cc1 8602968 HURCGZJKEKVOSN-UHFFFAOYSA-N 427.530 2.513 0 50 IFAA COC(=O)c1c(NC(=O)COCC(=O)O)sc(C(=O)Nc2ccc(Cl)cc2)c1C 19632597 HUZGWODQAHXYEE-UHFFFAOYSA-N 440.861 2.789 0 50 IFAA O=C1CCCN1CCCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55211468 JNYQXCBPKUYCRU-NRFANRHFSA-N 432.996 2.856 0 50 IFAA O=C(c1cnsn1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55271411 VLDYTUDWZVBCAF-MRXNPFEDSA-N 425.480 2.984 0 50 IFAA CN(C)S(=O)(=O)c1cc(C(=O)Nc2nccc3ccncc23)ccc1Br 170614290 GNQLITQZJYCKFW-UHFFFAOYSA-N 435.303 2.895 0 50 IFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)N1CCO[C@@H](c2ccccc2)C1 252523123 BXKPNTSNIZNCMP-RTBURBONSA-N 427.888 2.955 0 50 IFAA COc1ccc(OC)c(CN2CCN(S(=O)(=O)C[C@@H](C)COC3CCCC3)CC2)c1 253392716 VYCAKRIVBNWTOL-SFHVURJKSA-N 440.606 2.747 0 50 IFAA C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)NC1CC1)c1cc(F)ccc1N1CCN(C)CC1 253433153 SRZAXRNLYUEWLQ-PWIZWCRZSA-N 428.552 2.616 0 50 IFAA CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)N2CCC[C@H](O)C2)CC1 299784704 HKVDHBLPCUFIQQ-QHCPKHFHSA-N 441.547 2.602 0 50 IFAA CCN1CCN(CCOc2ccc(CN3CCC[C@@]4(CC3)CN(C)C(=O)O4)cc2)CC1 823116362 CEFSYMVVVUVPPW-XMMPIXPASA-N 430.593 2.510 0 50 IFAA COc1ccc([C@H]2[C@H](CO)OCCN2C(=O)c2cc(C)c3[nH]c(=N)sc3c2)cc1OC 1875241139 PBJWRNPPJBQTSA-PXNSSMCTSA-N 443.525 2.609 0 50 IFAA COCCOc1ccccc1-c1nc([C@H]2CC(C)(C)CN2C)n(-c2nc(C)nn2C)n1 1875348212 JIBLOYDIFVOFRR-QGZVFWFLSA-N 425.537 2.799 0 50 IFAA CCC(CC)C(=O)N1CCC[S@@](=O)(=NS(=O)(=O)c2ccccc2COC)CC1 2332238516 BCXLXJJGDMKBOY-MHZLTWQESA-N 430.592 2.658 0 50 IFAA O=C(C1CCS(=O)(=O)CC1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356144862 PGVFADBXAQCFTH-HSZRJFAPSA-N 425.554 2.775 0 50 IFAA Cc1nn(C[C@H](O)Cn2c3c(c4ccccc42)CCN(C)C3=O)c(C)c1Br 644332 OUTRNROAVINECG-CQSZACIVSA-N 431.334 2.906 0 50 IFAA biogenic CCOC(=O)c1oc2cc(OCC(N)=O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 1132747 CTJBWZADKOUDOA-UHFFFAOYSA-N 427.409 2.518 0 50 IFAA biogenic CCC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)C1 11791316 OGUGCHVWEFRTSG-FQRUVTKNSA-N 447.535 2.886 0 50 IFAA COc1ccccc1/C=C/CN1CCc2c(c(C(=O)NCc3ccccc3)nn2CCO)C1 14537270 WYWMDWWJQINLLI-YRNVUSSQSA-N 446.551 2.886 0 50 IFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)c1=O 14995447 NBYNRSXDBXBAEQ-UHFFFAOYSA-N 438.572 2.833 0 50 IFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17100628 ZVSUWYAOTPHDHM-VDGAXYAQSA-N 436.574 2.924 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cccc3nonc23)CC1 55269587 WNTGMBJFUSSLCN-UHFFFAOYSA-N 440.500 2.651 0 50 IFAA CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C1 225435418 PMICPDZVDNECSW-GOSISDBHSA-N 443.610 2.512 0 50 IFAA COc1ccc(OC)c2c1CN(C(=O)C1(OCc3ccccc3)CCOCC1)C[C@H]2O 772653039 GTFCSANMNURQAV-LJQANCHMSA-N 427.497 2.845 0 50 IFAA O=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1126075 SGCCYZOJQLUYRN-UHFFFAOYSA-N 427.295 2.735 0 50 IFAA Cc1csc(SCC(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)n1 12759392 ZCEYBGHROVQTMY-CYBMUJFWSA-N 431.630 2.822 0 50 IFAA CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)[C@H]2COc3ccccc3C2)CC1=O 14533100 JDYLOOBSIMBIJG-FGZHOGPDSA-N 437.540 2.545 0 50 IFAA CC[C@H](C)N1CCC2(CC1)C(=O)N(CCN(C)C)C(=O)N2CCc1ccc(OC)cc1 14533228 ZEBQXZBDJDWQLU-IBGZPJMESA-N 430.593 2.697 0 50 IFAA O=CN1CCN(Cc2ccc(OCC[C@H]3CCCCN3C(=O)c3cncs3)cc2)CC1 14962678 FIPAACYQTRSARG-HXUWFJFHSA-N 442.585 2.881 0 50 IFAA COc1ccc(CN2C(=O)C[C@@H](N3CCC(Nc4ccc5c(c4)OCO5)CC3)C2=O)cc1 18217936 IVIDTPHIHNXCRS-HXUWFJFHSA-N 437.496 2.628 0 50 IFAA Cc1nc(C(=O)N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cs1 19229077 GTYBLCVPELPGKR-SFHVURJKSA-N 428.558 2.603 0 50 IFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2cccc(Cl)c2C)cc1 22238506 MWKSJJJCZDXULZ-UHFFFAOYSA-N 435.977 2.926 0 50 IFAA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cnn(C)c2)CCO3)C1 55042329 YMOSDKMXYZWPDX-QFIPXVFZSA-N 439.604 2.895 0 50 IFAA COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 253426611 ZIJRMTQFIQEMRK-DOMZBBRYSA-N 440.422 2.759 0 50 IFAA CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)N2CCC[C@@H](O)C2)CC1 299784687 HKVDHBLPCUFIQQ-HSZRJFAPSA-N 441.547 2.602 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc(C)c(F)c2F)cc1C 11662674 OYRBVRAVWYBJHW-GOSISDBHSA-N 431.483 2.597 0 50 IFAA COCCN1C(=O)C[C@@](CC(=O)NCc2ccc(F)cc2F)(c2ccccc2C)C1=O 11881958 OTXONNCTTYCHIB-QHCPKHFHSA-N 430.451 2.623 0 50 IFAA COCC1CCN(C(=O)C[C@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)CC1 12430422 AWDAGSIOJYURLK-VWLOTQADSA-N 449.595 2.894 0 50 IFAA Cc1cccc(CN2CCC(N3CCC(C(=O)NCC[C@H]4CCCN4C)CC3)CC2)n1 20905892 NCEUUANALUCZTM-HSZRJFAPSA-N 427.637 2.667 0 50 IFAA Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(Oc3ncccc3F)CC2)c(C)c1 225568082 CGYLLBJXIPWBEM-UHFFFAOYSA-N 435.521 2.576 0 50 IFAA COC1CCN(C(=O)NC[C@@H](NC(=O)N2CCC(OC)CC2)[C@H](C)c2ccccc2)CC1 225829196 MIZYQKAFJUCSOU-XMSQKQJNSA-N 446.592 2.800 0 50 IFAA CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)C(=O)C(F)(F)F)c1 239165175 NQAKXRMWKLZAAY-ZCVDQKGDSA-N 432.398 2.795 0 50 IFAA C[C@@H](C(=O)N(C)CC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)n1cccn1 253395724 GLFKHSPDYUHDJY-QEJZJMRPSA-N 437.313 2.867 0 50 IFAA CN1CCC[C@H](CN(C)C(=O)c2cn(CC3CCCCC3)cc(C(=O)NC3CC3)c2=O)C1 299777079 NWIHPIJWECVRAX-IBGZPJMESA-N 442.604 2.735 0 50 IFAA CN(C)c1nc2ccc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)cc2[nH]1 1297050173 DEAGURGKWJSZJY-UHFFFAOYSA-N 431.493 2.805 0 50 IFAA CCc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)CCO2 1466729703 LRDDCSMYXDYLLM-QMMLZNLJSA-N 426.488 2.532 0 50 IFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1ncnc3ccsc13)C2 1857692907 ZNACWURMAGQPOQ-HYFFOGBASA-N 430.574 2.952 0 50 IFAA COC(=O)[C@H]1CCSC12CN(C(=O)N[C@@H](C)c1csc(NC(=O)C(C)(C)C)n1)C2 1875345625 DKQRFAYICYPPCN-NWDGAFQWSA-N 440.591 2.879 0 50 IFAA CCn1c(O)nc2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc2c1=O 2325864771 ZKMPGXLDZUYLIX-CQSZACIVSA-N 430.505 2.640 0 50 IFAA COc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OC 652492 AQSJMCFDEGGLLO-UHFFFAOYSA-N 428.894 2.771 0 50 IFAA CCOC(=O)COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC 1126789 UHBSKFUYXGSFAR-OAQYLSRUSA-N 439.468 2.904 0 50 IFAA CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)s1 1794620 MKKKSIOOHQRYMN-UHFFFAOYSA-N 446.510 2.925 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 9045272 QTRQDJNDEKAHHF-YWFITGJYSA-N 438.480 2.556 0 50 IFAA COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13427357 PRTCGQRTMLEBJQ-FCEWJHQRSA-N 438.358 2.528 0 50 IFAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCC[C@H](C)C4)CC3)c2c1 20177471 XXDYAWKGAGMQHO-SFHVURJKSA-N 427.545 2.568 0 50 IFAA COc1cc(C)c(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1C 20599979 VELXEMVVGMZOGT-UHFFFAOYSA-N 448.571 2.606 0 50 IFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NC1CCN(Cc2ccc(F)cc2)CC1 334162037 MMTLYGIOBQOSIZ-DYXWJJEUSA-N 434.581 2.632 0 50 IFAA O=C(CCCn1nnc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 888087833 RDLVOEUEQQBGGJ-BKUKFAEQSA-N 447.583 2.993 0 50 IFAA O=C(NCC1(N2CCCC2)CCOCC1)C(=O)N1CCc2c(ccc(Cl)c2Cl)C1 2325724780 RENXKRXSUCLVRC-UHFFFAOYSA-N 440.371 2.639 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1cccs1 8424457 INOKDTWEHYROKC-QIPHDZALSA-N 428.510 2.999 0 50 IFAA O=C(CCNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCN(c2ccccc2)CC1 12324655 BLNIQMDLOZOHHN-UHFFFAOYSA-N 431.540 2.975 0 50 IFAA biogenic COc1ccc(CN[C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1 12342236 ABICOVPZFGWHHQ-INIZCTEOSA-N 436.249 2.722 0 50 IFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2-n2cccn2)CN1Cc1cc(F)ccc1F 14879951 ZLMOGKYESDAKHS-UWJYYQICSA-N 440.450 2.696 0 50 IFAA COc1ccc(CNCCCN2CCCC2=O)cc1OC[C@@H](O)CN1CCCCCCC1 14978834 CAWUEEMEVAXSAY-QFIPXVFZSA-N 447.620 2.803 0 50 IFAA COc1ccc(NC(=O)CN2C(=O)N[C@@H](c3ccccc3Cl)C3=C2COC3=O)cc1 169758024 ZZEMBFMTPVYYNH-IBGZPJMESA-N 427.844 2.865 0 50 IFAA O=C(CSCc1cccnc1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 170593274 AYSJWCGCEXPPNV-IBGZPJMESA-N 431.583 2.698 0 50 IFAA COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cc1 230089945 NBEZVFUWBMAGIP-FXKZBUDASA-N 437.883 2.780 0 50 IFAA CCc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)cc1 263618312 SFAPCANEOZOBKF-UHFFFAOYSA-N 449.496 2.714 0 50 IFAA Cc1nsc2ncc(C(=O)OCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)cc12 1875258376 DXKCWFHONIQFIN-UHFFFAOYSA-N 439.497 2.533 0 50 IFAA Cn1ccnc1[C@](O)(CCNC(=O)c1cccn1-c1ncccc1Cl)C(F)(F)F 1875258599 QSCFFBIYQIYNPY-QGZVFWFLSA-N 427.814 2.829 0 50 IFAA COC(=O)Cn1cc(C[C@@H]2CCCCN2C(=O)c2cc(Cl)c(O)c(Cl)c2)nn1 1875359809 QJDRFHQOGJFXMR-ZDUSSCGKSA-N 427.288 2.701 0 50 IFAA Cc1sc(S(N)(=O)=O)cc1NC(=O)[C@H](N)[C@@H](C)c1cccc(Br)c1 2325851027 NGBCLUHSJDABPX-RMLUDKJBSA-N 432.365 2.536 0 50 IFAA CCCc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)n[nH]1 11819672 KSPPJYLHCRXRIL-HSZRJFAPSA-N 433.556 2.865 0 50 IFAA COC(=O)[C@@H](NC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O)C(C)C 11910372 MNOXAXSHZZKAGH-IBGZPJMESA-N 431.533 2.563 0 50 IFAA COC(=O)c1c(NC(C)=O)c2cc(N[C@@H](C)CC(C)(C)O)cnc2n1C[C@@H]1CCCO1 14534483 NOLFIUAUDLGUFS-BBRMVZONSA-N 432.521 2.922 0 50 IFAA Cc1ncsc1C(=O)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20500253 VJBLSYDQUSMBLG-GOSISDBHSA-N 428.558 2.603 0 50 IFAA N#C[C@@H](C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1nnc2n1CCCCC2 138482185 SRKSYOYAGZGFRQ-KRWDZBQOSA-N 446.488 2.872 0 50 IFAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc4[nH]ccc4c3)N=C2O)cc1OC 252533030 FTLCFDTVKXZKJT-GOSISDBHSA-N 436.468 2.881 0 50 IFAA CN(C[C@@H](O)CN1CCc2ccccc2CC1)C(=O)c1cccc(Oc2cnccn2)c1 1875254312 ATNAWMHREORCAL-JOCHJYFZSA-N 432.524 2.803 0 50 IFAA CCOc1ccc([C@@H](C)NS(=O)(=O)c2cc(Br)cnc2N)cc1OC 1875265501 IALYWVYGOKTGLT-SNVBAGLBSA-N 430.324 2.873 0 50 IFAA Cc1nn(C)cc1CC(=O)N1CC[C@H](C(F)(F)F)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 2325825317 MDPYMRXAWFDHPA-QFBILLFUSA-N 447.461 2.962 0 50 IFAA O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCc1cccnc1 810344 ACLWLUDHAXHXRR-UHFFFAOYSA-N 445.928 2.909 0 50 IFAA COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1Br 813075 JJCUYJPHGXFENK-UHFFFAOYSA-N 430.320 2.996 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1cccs1 15659646 NDOYKVUMWCNHDG-XYSGSMRZSA-N 440.546 2.868 0 50 IFAA COCCN(Cc1cc2ccc(SC)cc2nc1N1CCOCC1)C(=O)[C@H]1CCCO1 19800376 HLYUHZQCEPNEGP-OAQYLSRUSA-N 445.585 2.947 0 50 IFAA O=C(NCCN1CCOCC1)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 22241766 KKAGNTNKTSIJHM-UHFFFAOYSA-N 437.584 2.926 0 50 IFAA O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 253405292 IEYWBEROUPQPII-UNMCSNQZSA-N 439.475 2.909 0 50 IFAA biogenic O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 334160590 IEYWBEROUPQPII-RBBKRZOGSA-N 439.475 2.909 0 50 IFAA O=C(NCCS(=O)(=O)Cc1ccccc1)NC[C@H](O)c1cccc(C(F)(F)F)c1 730827475 PORXKYOWJCZKEH-KRWDZBQOSA-N 430.448 2.653 0 50 IFAA Cc1ccc(N2CCN(S(=O)(=O)c3ccc4nc(O)nc(O)c4c3)[C@H](C)C2)cc1C 748070529 QTOJYPURVFOYKO-OAHLLOKOSA-N 428.514 2.557 0 50 IFAA COc1cc(OC)c([C@H]2CCCN2C(=O)c2cccc(-c3cnnc(=N)[nH]3)c2)c(OC)c1 1875351490 XXVIFKYVPIPAHV-GOSISDBHSA-N 435.484 2.954 0 50 IFAA O=C(N=[S@]1(=O)CCCN(C(=O)c2ncoc2C2CC2)CC1)c1cc(Cl)ncc1F 2325886419 WSDUMGIXRDKTKT-LJAQVGFWSA-N 440.884 2.894 0 50 IFAA COC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 14538316 DCBWURWTCFEVHQ-HXUWFJFHSA-N 436.556 2.958 0 50 IFAA O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCOCC1 15919214 PITSVUIDEIBSPA-UHFFFAOYSA-N 444.431 2.744 0 50 IFAA CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OC)=C(C)N=2 16699921 JVLBSOGCQNTBQF-XYSGSMRZSA-N 440.546 2.868 0 50 IFAA CN1CCN(C(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)CC1 19811952 DWPVSVRWKWNONE-UHFFFAOYSA-N 442.368 2.963 0 50 IFAA CCCN1CCC(N[C@H]2C[C@@H](C(=O)NCCOC)N(Cc3ccccc3Cl)C2)CC1 23373994 WCOIUKKUGACZKY-UNMCSNQZSA-N 437.028 2.510 0 50 IFAA CS(=O)(=O)c1ncc(CN2CCC(Oc3ccccc3F)CC2)n1C[C@H]1CCCO1 55252681 VKAKJSMCMVTHHW-GOSISDBHSA-N 437.537 2.648 0 50 IFAA COc1cc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)cc(Cl)c1O 104633112 AWPVZIKVMVDDLP-LJQANCHMSA-N 426.001 2.796 0 50 IFAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1OC 170625580 FTLCFDTVKXZKJT-SFHVURJKSA-N 436.468 2.677 0 50 IFAA biogenic COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 253426614 ZIJRMTQFIQEMRK-IUODEOHRSA-N 440.422 2.759 0 50 IFAA O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1nc(Cc2cccc(F)c2)no1 263618424 SXTYWGHLAAUEOC-UHFFFAOYSA-N 449.417 2.956 0 50 IFAA CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1 765233020 LBLZGACGJSMPEX-QGZVFWFLSA-N 427.505 2.771 0 50 IFAA CC(C)C(=O)N1CC[C@]23C(=O)N(CC(=O)NCCCOc4cccc(c4)[C@H]12)c1ccccc13 952863947 GVWWSQYMYIOOLW-JYFHCDHNSA-N 447.535 2.799 0 50 IFAA CC(C)NC(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccs1 1875259832 DDPLMECWPFRFIB-QRWLVFNGSA-N 443.525 2.588 0 50 IFAA C[C@@H](Cn1cc(-c2cncs2)nn1)NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 1875354948 UVKLDIAOBSSDDZ-WFASDCNBSA-N 430.921 2.613 0 50 IFAA O=S(=O)(NCc1conc1C1CCC1)c1cc2nc(O)[nH]c2cc1Br 2325825213 IURDFYRAMDENPO-UHFFFAOYSA-N 427.280 2.765 0 50 IFAA COc1cc(C(=O)N=[S@@]2(=O)CCCN(C(=O)[C@H]3CCOc4ccccc43)CC2)sn1 2332239156 YLGORPCHIGWXAU-INCQDFKNSA-N 449.554 2.559 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1120622 RFTHCVOJQKNNNN-UHFFFAOYSA-N 428.532 2.535 0 50 IFAA COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1774452 NLPNTCULNCBQAK-FQEVSTJZSA-N 434.448 2.862 0 50 IFAA biogenic,in-vitro COc1ccc([C@@]2(CC(=O)N(C)Cc3nc4ccccc4[nH]3)CC(=O)N(C3CC3)C2=O)cc1 11785071 LAZCMPYHWMCZPS-RUZDIDTESA-N 446.507 2.779 0 50 IFAA C[C@@H]1C[C@@H](CC(=O)NCCN2Cc3ccccc3O[C@H](c3ccccc3)C2)NC(=S)N1 14995972 ASCAZSQXAAXJBI-AGHHOFFYSA-N 438.597 2.754 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3ccc(C)cc3)cc2OC)CC1 20481441 MVWXDIPSVHJHDA-HSZRJFAPSA-N 427.589 2.671 0 50 IFAA C[C@@H]1CCc2nc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)sc2C1 22972186 XAGNLBUSNVEALG-OAHLLOKOSA-N 428.558 2.753 0 50 IFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2)C2=C1C(=O)OC2 169758123 DUAKJDOTFHQCKE-FQEVSTJZSA-N 425.416 2.740 0 50 IFAA CCCC(=O)N1CCCC[C@@H]1C(=O)N1CC(n2cc(-c3ccc(OCC)cc3)nn2)C1 170593243 MFQQOJHHUODMLN-OAQYLSRUSA-N 425.533 2.908 0 50 IFAA COC(=O)c1cccc(S(=O)(=O)Nc2nc3n(c2C(=O)c2ccc(C)cc2)CCC3)c1 170595633 DOXIDEQDIJFRFR-UHFFFAOYSA-N 439.493 2.956 0 50 IFAA O=C(COc1ccccc1OCC(F)(F)F)N[C@@H](c1ccc(F)c(F)c1)c1nnn[nH]1 225604561 QPSFOEJKXUTKEO-INIZCTEOSA-N 443.332 2.704 0 50 IFAA Cc1oncc1S(=O)(=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857733127 WPFQLELOROGRGD-UHFFFAOYSA-N 426.498 2.814 0 50 IFAA CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@]12C(=O)N1c3c(cccc32)C(C)=CC1(C)C 2404579 MLFRVJMBCLJAQS-RUZDIDTESA-N 448.475 2.902 0 50 IFAA CCOC(=O)c1n[nH]cc1CN(CCOC)CC1CCN(Cc2ccccc2OC)CC1 12446830 YYFAJEMJOXGGMM-UHFFFAOYSA-N 444.576 2.956 0 50 IFAA C[C@H](C(=O)Nc1ccc(NC(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)cc1)n1cncn1 239761365 CJRVKCADSWLJSR-NSISKUIASA-N 442.520 2.670 0 50 IFAA COc1cc(NC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)cc(OC)c1OC 263617589 OPSOKHSJNNOHRV-SFHVURJKSA-N 428.420 2.967 0 50 IFAA O=C(c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1)N1CCCc2ccccc21 408524956 CQOHTFVNOMYHSS-PITBZMPESA-N 438.549 2.669 0 50 IFAA COCCN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 409413039 AHHVMYRUENLJJI-NQIIRXRSSA-N 428.581 2.780 0 50 IFAA COc1ccc(NC(=O)c2cccc(NC(=O)c3cnn(-c4ccc(O)nn4)c3C)c2)cn1 499875413 XNNOFPDGWXNJOD-UHFFFAOYSA-N 445.439 2.585 0 50 IFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NC2CCN(C[C@@H]3CCCO3)CC2)s1 1506423359 WIBCUVSLLLSPMT-INIZCTEOSA-N 425.576 2.942 0 50 IFAA O=C(c1cccc2cc[nH]c12)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857737806 DLHFZPPCBFVVPL-UHFFFAOYSA-N 433.512 2.620 0 50 IFAA CN1CCn2nc(C(=O)N3CCC[C@]4(CCc5cnc(-c6ccccc6)nc54)C3)cc2C1=O 2356155582 IUDLNOLOZJFDMW-VWLOTQADSA-N 442.523 2.546 0 50 IFAA COC(=O)c1ccc(CNC2CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1 14993253 GJYTYIJVFVZAAY-UHFFFAOYSA-N 437.540 2.704 0 50 IFAA Cc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)ccc1F 36636303 NLRLOLSYOSWACO-UHFFFAOYSA-N 444.525 2.667 0 50 IFAA O=C(CN1Cc2ccccc2O[C@H](c2ccccc2F)C1)NCCCN1CCOCC1 96410097 MBRRDUYJVQJABX-QHCPKHFHSA-N 427.520 2.600 0 50 IFAA FC(F)(F)c1nnc(N2CCN(C[C@H]3CN(Cc4ccccc4)CCCO3)CC2)s1 551443690 GVYYBQYWLXLXNK-KRWDZBQOSA-N 441.523 2.970 0 50 IFAA CN1CCN(CCOc2ccccc2CN2CCc3nc[nH]c3[C@H]2c2cccnc2)CC1 952982020 XGTHCWBBDXAMPC-RUZDIDTESA-N 432.572 2.579 0 50 IFAA Cc1c(Cl)ncnc1N1Cc2ccccc2C[C@H]1CNC(=O)c1cnn2ccncc12 1875359088 UCGSFIMLOUAZOP-KRWDZBQOSA-N 433.903 2.842 0 50 IFAA COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC(NC(=O)c4occc4C)CC3)C2)c1 2325739297 NBMNAKJGNDKQBE-HXUWFJFHSA-N 441.484 2.519 0 50 IFAA Cc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)Cn3nnnc3N)CCCCC2)cc1 719055 SOXQFSSTQOBKDH-UHFFFAOYSA-N 447.543 2.934 0 50 IFAA COc1ccc(Cc2c(O)nc(SCC(=O)Nc3ccccc3OC)[nH]c2=O)cc1 781865 LYICOIHPZKVHRW-UHFFFAOYSA-N 427.482 2.814 0 50 IFAA O=C(CCc1ccccc1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1 8973798 BJFKRDRXGQMTDY-UHFFFAOYSA-N 431.539 2.889 0 50 IFAA O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 14970323 PXWWLPFVLPYDPT-XMMPIXPASA-N 449.595 2.896 0 50 IFAA CCCc1c(C(=O)NCCN(CC)CC)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 14996958 WBDZWWANMKCYMH-UHFFFAOYSA-N 427.545 2.958 0 50 IFAA CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1OC 16648940 XBDYRRPXRAKNLQ-UHFFFAOYSA-N 445.541 2.872 0 50 IFAA O=C(NC[C@H]1CCCO1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 16650363 QDNLGCJLNBVKQN-MRXNPFEDSA-N 435.373 2.830 0 50 IFAA CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)O)CC2)cc1 17100618 KQQPTGAMJWINKN-WOJBJXKFSA-N 436.574 2.609 0 50 IFAA COC(=O)c1c(OCCc2ccsc2)cc(=O)n2c1CCN(Cc1cccnc1)CC2 19743527 IRZFVJLVWIMDPW-UHFFFAOYSA-N 439.537 2.771 0 50 IFAA O=C(OCc1ccccc1)N1CCN(c2ccc(N3C[C@H](CO)OC3=O)cc2F)CC1 39107513 UAQQNGDRKHDFAO-GOSISDBHSA-N 429.448 2.602 0 50 IFAA CC(=O)Oc1ccc(I)c(C(=O)O)c1I 98042880 IQVWRRKUNBPFDZ-UHFFFAOYSA-N 431.951 2.519 0 50 IFAA C[C@@](O)(CNc1cc(NC[C@](C)(O)c2ccsc2)nc2ncnn12)c1ccsc1 170603438 DLOIWHRBXODWAC-RBUKOAKNSA-N 430.559 2.887 0 50 IFAA CO[C@@H](C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1ccccc1 170610478 SZYLQAZHZACGDS-LJQANCHMSA-N 427.505 2.860 0 50 IFAA Cc1ccc(-n2c(N(C)C)nc(CN3CCC(C(=O)N4CCOCC4)CC3)c2Cl)cc1 170616030 DPNFIJBGVZMWGX-UHFFFAOYSA-N 445.995 2.971 0 50 IFAA CN(C)CC(=O)Nc1cccc(CN[C@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 225632454 CDEBJPITIWHFOU-RBBKRZOGSA-N 446.592 2.691 0 50 IFAA COc1cc(CN[C@H]2CC[C@@H](n3cc(C(=O)NC(C)C)nn3)CC2)cc(OC)c1OC 243885562 AAFXGDXYYDYYCZ-CALCHBBNSA-N 431.537 2.716 0 50 IFAA C[C@H](NC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1ccccc1 245380983 YSSRYQXLQDZDLL-ZOCIIQOWSA-N 429.567 2.787 0 50 IFAA CSCC[C@@H](NC(=O)C[C@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 247533522 POXGVPCUSCHJNK-QZTJIDSGSA-N 437.525 2.988 0 50 IFAA C[C@@H](C(=O)N1CCc2ccccc2C1)S(=O)(=O)c1nc(-c2ccc3c(c2)CCC3)n[nH]1 447493226 PGTKCFUMXQVCNX-HNNXBMFYSA-N 436.537 2.708 0 50 IFAA CC[C@H]1Oc2cc([C@@H](C)NS(=O)(=O)CCc3ccc4c(c3)CCO4)ccc2NC1=O 477597639 FBJDJVIQAZAGMP-AUUYWEPGSA-N 430.526 2.954 0 50 IFAA COC(=O)[C@H](CNC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1)Oc1ccc(F)cc1 759929126 UOVGKIRNVXAVTQ-QFBILLFUSA-N 429.366 2.789 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2ccccc2OC)C1 1857692754 SFUYCQCBDWUAQU-OTNCWRBYSA-N 429.605 2.567 0 50 IFAA Cc1cc(C(=O)NC[C@H]2CC3(CCNCC3)C(=O)O2)c2cc(Br)ccc2n1 2325853760 AFQYVNNUJYSKIY-CQSZACIVSA-N 432.318 2.721 0 50 IFAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cnn(-c3ccccc3)c2)CC1 14959784 ZXODDXABYXYBLA-HSZRJFAPSA-N 426.561 2.852 0 50 IFAA Cc1ccccc1[C@]1(CC(=O)N2CCN(C(C)C)CC2)CC(=O)N(Cc2ccncc2)C1=O 20455467 ZDNLPSLIXFWILH-SANMLTNESA-N 448.567 2.530 0 50 IFAA O=C(COc1ccccc1)Nn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 40396660 ZNPNYWKDFHFAJB-UHFFFAOYSA-N 429.411 2.999 0 50 IFAA O=S(=O)(CCN1CC[C@H](Nc2ccccc2)C1)CCN1CC[C@@H](Nc2ccccc2)C1 110991782 GRPVNXRDCZTFJI-PSWAGMNNSA-N 442.629 2.774 0 50 IFAA Cc1nnc(N2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)c(C(N)=O)c1C 301720768 JHWGAXRTRLBHMD-UHFFFAOYSA-N 425.581 2.904 0 50 IFAA C[C@@H]1CCc2nc(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc3ccccc3)sc2C1 1318121779 XFINIKPWQULEDI-CJNGLKHVSA-N 430.530 2.767 0 50 IFAA O=C(N[C@H]1CCCC12CN(c1nc(-c3cccnc3)nc3c1CCC3)C2)[C@@H]1CC=CCO1 1875359935 UFDHFKHOFUZIAE-SFTDATJTSA-N 431.540 2.848 0 50 IFAA Cc1cccc2nc(CNC(=O)C(=O)NCc3ccc(-n4cnc5ccccc54)cc3)cn12 2325722183 DTFCKFUNUQYSBV-UHFFFAOYSA-N 438.491 2.914 0 50 IFAA CCOC(=O)C1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 789184 VATFIJFIISRHDA-UHFFFAOYSA-N 437.345 2.561 0 50 IFAA CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3c(F)cccc3Cl)C2)c1 1077203 PAYROJSEWNYIAD-INIZCTEOSA-N 445.925 2.961 0 50 IFAA CCCNc1cc(C(=O)NCc2cn3ccccc3n2)cc(S(=O)(=O)NC(C)C)c1 14747417 FVJPNOULBANYRT-UHFFFAOYSA-N 429.546 2.773 0 50 IFAA COC(=O)c1ccc(CN2CC[C@@H](N3CCN(Cc4ccccn4)CC3)CCC2=O)cc1 19812550 ZICSSSRQHOEREJ-QHCPKHFHSA-N 436.556 2.567 0 50 IFAA Cc1cnc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cn1 20204386 DSJIWUXZSYGNCG-JOCHJYFZSA-N 435.572 2.762 0 50 IFAA COc1cc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)ccc1OC(F)F 20606953 BABFELXJXLFQDJ-UHFFFAOYSA-N 441.394 2.831 0 50 IFAA COc1ccc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc1OC 72446669 HXRIVSIKPZYRJC-UHFFFAOYSA-N 436.516 2.567 0 50 IFAA O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2 101284290 VXSJVZPJFPQGTN-ABSDTBQOSA-N 442.537 2.958 0 50 IFAA CCOc1ccc(C(=O)NCC(=O)N(C)[C@@H](COC)Cc2ccccc2)cc1OCC 170609893 QDTVKFODYJJSFR-HXUWFJFHSA-N 428.529 2.930 0 50 IFAA O=C(CC[C@H]1N=C(O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@H](c2ccccc2)C1 252537272 KVSHUPBYHDXQIB-UXHICEINSA-N 425.460 2.831 0 50 IFAA CCS(=O)(=O)N1CCC(CNC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)CC1 768425715 KSGBUMREHAKUJW-JOCHJYFZSA-N 445.585 2.748 0 50 IFAA CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(F)(F)F)nc2)cc1 1875254305 UAWKGJIMFXVAFX-QGZVFWFLSA-N 434.418 2.980 0 50 IFAA O=C(CCc1nc(-c2ccncc2)no1)N1CCCC[C@@H]1c1nc(-c2ncccn2)no1 1875256984 HCEYOUYKOKEDMY-OAHLLOKOSA-N 432.444 2.658 0 50 IFAA CO[C@@H](C)CC(=O)N1CCC([S@](C)(=O)=NC(=O)C2=Cc3cc(F)ccc3OC2)CC1 2332238707 ISRSAIIUBUPTSJ-KJEZJMDVSA-N 438.521 2.642 0 50 IFAA CCOc1cc(CNc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)NC(C)(C)C 624132 MCAYBZZIXIWQHT-UHFFFAOYSA-N 435.546 2.638 0 50 IFAA COCCN(C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(Cc2cccnc2)C1=O)C(C)C 11912445 GFEWICGDKADFOV-VWLOTQADSA-N 437.540 2.860 0 50 IFAA Cc1c(C(=O)N(C)C[C@H]2COCCO2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 12125617 RLYXJFHXELBBHC-IBGZPJMESA-N 433.512 2.614 0 50 IFAA CC(C)CNC(=O)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(OCc2ccccc2)cc1 12281410 LSNBTPWAIQPKAV-GGAORHGYSA-N 434.544 2.840 0 50 IFAA CCn1cc(CNC(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)cn1 14955200 CVPGXUVDHIHTLX-UHFFFAOYSA-N 426.517 2.621 0 50 IFAA O=C(Nc1ccnn1C1CCN(Cc2cccn2-c2nccs2)CC1)[C@H]1CCOC1 14964983 GQPUGGDKAYTBLB-INIZCTEOSA-N 426.546 2.942 0 50 IFAA CC(C)CS(=O)(=O)c1ncc(CN2CCN(CC3CC3)CC2)n1Cc1ccccc1 20599575 JYCALGVHYHBJQO-UHFFFAOYSA-N 430.618 2.889 0 50 IFAA COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)N[C@]12C(=O)Nc1ccc(C)cc12 253488171 YSPQCOHYEDVYBI-YAYRXMPBSA-N 429.904 2.802 0 50 IFAA O=C(NC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@H](c2cccc(F)c2)C3)CC1 263619165 XGZCPLLHFPWKRB-QFIPXVFZSA-N 442.539 2.895 0 50 IFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(OC)c3)C2)cc1 953231 HXVUDQULBWXRKD-HNNXBMFYSA-N 447.513 2.913 0 50 IFAA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(Br)cc(Cl)c1OC 1129414 JZWYKRVBTJVLJW-WZUFQYTHSA-N 433.711 2.684 0 50 IFAA CCn1cc(NC(=O)c2c(Br)cnn2CC)c(C(=O)NCc2ccco2)n1 2793315 ZCVDIFWXESWKET-UHFFFAOYSA-N 435.282 2.657 0 50 IFAA COC(=O)c1cc(CNC(=O)Cn2cccn2)cc(NC(=O)c2ccccc2Cl)c1 11881534 IYZSAXWGEWHELW-UHFFFAOYSA-N 426.860 2.892 0 50 IFAA CCn1cc(C(=O)N2CCC(n3nccc3NC(=O)[C@@H](OC)c3ccccc3)CC2)cn1 12198065 ILVDQHXJYQFBAF-NRFANRHFSA-N 436.516 2.903 0 50 IFAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCc2cc(F)ccc2C)c1 12591883 CUGVICLSSMUPPG-QFIPXVFZSA-N 432.536 2.629 0 50 IFAA Cc1nonc1CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 15064747 VSNYZAUEGXKMAO-QFIPXVFZSA-N 449.511 2.519 0 50 IFAA COc1cc(CN2CCN(Cc3c(C)nc4sccn34)C[C@H]2CCO)cc(OC)c1 39445743 WZUWOICHJOJLMH-GOSISDBHSA-N 430.574 2.790 0 50 IFAA CN(CCN1CCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 39461627 OEOJWRQLJCASMH-XMMPIXPASA-N 434.584 2.598 0 50 IFAA O=C(NCC1CC1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 169758605 KJDMJYNPUQNVJU-HXUWFJFHSA-N 426.492 2.672 0 50 IFAA COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]3[C@@H](C)C(=O)C[C@@H](c5ccco5)N3C(=O)[C@H]24)c1 252694979 SOLPERFSTZHDQZ-RYSRMXOGSA-N 448.475 2.728 0 50 IFAA CC(=O)O[C@@H]1CC[C@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@@]1(C)CC[C@H]43 254702320 IRJWPUOTLSQRFN-NHYUJLAZSA-N 444.524 2.835 0 50 IFAA CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3CCN(C(=O)CC)C3)c2)cc1 474557471 KDMFVVCYAKZICA-SFHVURJKSA-N 445.541 2.627 0 50 IFAA CNS(=O)(=O)c1csc(C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 482327382 PGTBTEOXQCPOQG-NSHDSACASA-N 449.476 2.564 0 50 IFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cc(Cl)c2c(c1)OCCO2 742734328 BKUQCLUTFFMOSZ-CYBMUJFWSA-N 425.894 2.536 0 50 IFAA Cc1cnc(CN2C[C@H]3CN(C(=O)CSCc4ccccc4Cl)C[C@]3(CO)C2)[nH]1 1772810195 IYALUQFUGSLLOE-UWJYYQICSA-N 434.993 2.558 0 50 IFAA Cc1cc(O)n2nc(CNC(=O)[C@@H]3CCCC[C@H]3C(=O)N3c4ccccc4C[C@@H]3C)nc2n1 1875262201 UPDPUBAVLAKPFT-CGTJXYLNSA-N 448.527 2.539 0 50 IFAA Cc1ccc(OCC(=O)NS(=O)(=O)c2cnc3ccccc3n2)c2c1[C@H](C)CC2=O 2325866776 ZPCOKFCGWSNZDR-CYBMUJFWSA-N 425.466 2.512 0 50 IFAA CCN(C(=O)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2)c1ccc2[nH]ccc2c1 2325895808 KMHDTHFHQRPUQW-HXUWFJFHSA-N 430.464 2.596 0 50 IFAA O=C(NCc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 6492172 RJLYCJQZOKHVQN-HNNXBMFYSA-N 438.347 2.561 0 50 IFAA COc1ncccc1C(=O)N1CCC([C@@]2(C)NC(=O)N(Cc3ccsc3)C2=O)CC1 11787773 LDKFBURYWAVKRR-OAQYLSRUSA-N 428.514 2.515 0 50 IFAA CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NC[C@@H]2CCCN(C)C2)c1=O 12192908 IUOVEBZPIUZRJP-SFHVURJKSA-N 430.593 2.811 0 50 IFAA O=C(NC1CC1)c1cn(CC[C@@H]2CCCCN2C(=O)COc2ccc(Cl)cc2)nn1 12205817 KCSOIOINPWSPLW-KRWDZBQOSA-N 431.924 2.674 0 50 IFAA CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2cccnc2)cn3C2CC2)CC1 12379421 VZZIMXZKTDQZQH-UHFFFAOYSA-N 449.486 2.791 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cc(C)ccc1C)c(=O)n2Cc1ccco1 12447203 VULQOFIRVZYJFV-UHFFFAOYSA-N 433.464 2.960 0 50 IFAA CCc1c(C(=O)NC[C@H]2COc3ccccc3O2)c(=O)cc(C)n1CCN1CCCCC1 20271895 GQZDMGUNBJXLSW-IBGZPJMESA-N 439.556 2.775 0 50 IFAA O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)NCCCCCN1CCOCC1 20600969 WWLJZIPOIKQRGG-UHFFFAOYSA-N 439.560 2.887 0 50 IFAA CCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccc5c(c4)OCO5)n3)c2C2CC2)CC1 64053594 JZWTUIDMTIOLEZ-UHFFFAOYSA-N 446.511 2.713 0 50 IFAA O=C(NCCn1c(C(F)(F)F)nc2ccccc21)[C@H](Cc1ccccc1)n1cnnn1 170625370 FKGKOLAJXBBYRO-KRWDZBQOSA-N 429.406 2.642 0 50 IFAA C[C@@H]1CN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CCN1c1nccn2cnnc12 433425104 PPZBJHXPPAIKAG-CYBMUJFWSA-N 441.421 2.710 0 50 IFAA C[C@H](C(=O)N1CCc2ccccc2C1)S(=O)(=O)c1nc(-c2ccc3c(c2)CCC3)n[nH]1 447493227 PGTKCFUMXQVCNX-OAHLLOKOSA-N 436.537 2.708 0 50 IFAA C[C@H](O)CN1CCN(C(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)[C@H](C)C1 476858651 OPCVFITWNIEAHV-CABCVRRESA-N 442.507 2.897 0 50 IFAA O=C1COc2cc(S(=O)(=O)N3CC[C@H](c4ccccc4)C3)c(Br)cc2N1 477165831 TWUWFXKACLZUEW-ZDUSSCGKSA-N 437.315 2.958 0 50 IFAA CCCc1nc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)nn1-c1ccccc1F 1875260920 OGVAFESYCARYAO-UHFFFAOYSA-N 437.431 2.501 0 50 IFAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)c(OC)c2)c1 909929 JQUJAQRALZSNGT-LJQANCHMSA-N 429.498 2.850 0 50 IFAA CCOc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2ccc3c(c2)OCO3)cc1 1108992 PTRALTGGCGQGDA-KRWDZBQOSA-N 441.509 2.770 0 50 IFAA Cc1cccc(C)c1OC[C@@H](O)CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1 2204322 VDRAXOJTWGVSPU-IBGZPJMESA-N 446.569 2.648 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cccc3cnccc23)cc1C 11999022 ZKLIPLBPLVTJAT-HSZRJFAPSA-N 446.551 2.901 0 50 IFAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)CCn2nccc2C)C1 12432580 FXTCDPRUQIMQKK-QFIPXVFZSA-N 441.620 2.893 0 50 IFAA O=C(NCCCn1cccn1)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 12570633 ZJUDNTMOUYOUET-UHFFFAOYSA-N 433.512 2.782 0 50 IFAA COc1ccc(CN2C[C@H](OCc3cccnc3)CN(Cc3cn(C)nc3C)CC2=O)cc1 14752396 YCWPFUHKXNGODK-XMMPIXPASA-N 449.555 2.562 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCCn1ccc2ccccc21 19837782 DDRVAZNZBGTTGB-NRFANRHFSA-N 442.922 2.941 0 50 IFAA Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H](N1CCN(C3CCCC3)CC1)C2 23354218 QHJPIYQAEKSURE-OAQYLSRUSA-N 439.579 2.907 0 50 IFAA CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(c3cc(C4(C)CC4)n[nH]3)CC2)c1 170599796 LQBPQANFPKEIEQ-UHFFFAOYSA-N 438.576 2.704 0 50 IFAA COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)Cc3cc4ccccc4o3)C2)cc1 240555633 GWTLGNLVRJUTRT-UHFFFAOYSA-N 429.498 2.656 0 50 IFAA C[C@H](C(=O)OCc1nc(O)c2c3c(sc2n1)CCCC3)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 253530309 RGELPPVZRYDVAP-JHJVBQTASA-N 443.525 2.883 0 50 IFAA CCS(=O)(=O)N1CCC[C@H](c2nnc(S)n2-c2cnn(Cc3ccc(C)cc3)c2)C1 2808589 XRHKVESLQPDNTD-KRWDZBQOSA-N 446.602 2.638 0 50 IFAA COC(=O)c1ccc2nc(NC(=O)COC(=O)c3ccccc3NC(C)=O)sc2c1 2830543 VVQXRNZWQWKESL-UHFFFAOYSA-N 427.438 2.837 0 50 IFAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C[C@H]2CCCN(C)C2)c1=O 12039424 UFRGEAOFJGUVED-FQEVSTJZSA-N 444.620 2.981 0 50 IFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCCCCC3)N(C/C=C/c3ccccc3)C2)nn1 12149540 LWZMQNIKXKURAW-NVVTVWOSSA-N 437.544 2.796 0 50 IFAA CC(=O)N1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C2CC2)CC1 12279279 UXIADNREDYJVDE-UHFFFAOYSA-N 436.541 2.881 0 50 IFAA Oc1cc(Br)c(I)nc1I 14400973 JNSGLKJVZRCEHV-UHFFFAOYSA-N 425.789 2.759 0 50 IFAA in-vitro Cc1ccc(CN2CC(=O)N(CCCN3CCCC3=O)C[C@@H](OCc3ccccc3)C2)o1 14746907 XAUANTOKXIKWPJ-QHCPKHFHSA-N 439.556 2.830 0 50 IFAA Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 15000338 PXFXBEXFRKJKBC-RTBURBONSA-N 441.601 2.899 0 50 IFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1=O 15004142 ABZNBOLSWSVRKS-HXUWFJFHSA-N 438.572 2.819 0 50 IFAA CCNC(=S)N(Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 100605972 JGMGNQNGRTYPIJ-SFHVURJKSA-N 425.510 2.502 0 50 IFAA COc1ccc(-c2nn3c(nc2=O)-c2cc(Cl)ccc2N2C(=O)CC[C@]23C(=O)O)cc1 170620152 BWJTXOORQRHYRM-NRFANRHFSA-N 438.827 2.512 0 50 IFAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCC(=O)N1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 252477340 MIJDJSHUMSGRNQ-PCPGVINSSA-N 429.605 2.816 0 50 IFAA O=C(N[C@H](CO)c1ccccc1)[C@@H]1CC(=O)N(c2[nH]nc3cc(Br)ccc23)C1 252484277 FTOCKSWYRGPOOT-CXAGYDPISA-N 443.301 2.528 0 50 IFAA COc1ccc([C@H]2Cn3nnc(CN4CCN(C(=O)Nc5ccccc5)CC4)c3CO2)cc1 263615201 BCFUIYNNYHGXKQ-HSZRJFAPSA-N 448.527 2.908 0 50 IFAA CN(C(=O)COc1ccc2occ(C(=O)c3ccsc3)c2c1)[C@H]1CCS(=O)(=O)C1 334160401 DBQUFVYAOQAKON-AWEZNQCLSA-N 433.507 2.750 0 50 IFAA O=C(O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NC2(c3ccc(F)cc3)CC2)CC1 485746819 JWRSXMOLKLKQIU-UHFFFAOYSA-N 446.500 2.730 0 50 IFAA O=C(NCCC1=CCNCC1)N1CC[C@@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1 952892305 GSOBJJLSCKXXQA-LJQANCHMSA-N 436.438 2.657 0 50 IFAA CC1(C)Cc2c(cnn2-c2ccccc2Cl)CN(C(=O)[C@H]2CN3CCCN2CC3)C1 952895207 XYQQRKLUXJSOLQ-OAQYLSRUSA-N 427.980 2.827 0 50 IFAA COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nc(Cl)nc3c2CCCC3(C)C)C1 1875330054 KUJKAQGWGSGFRF-CQSZACIVSA-N 431.002 2.621 0 50 IFAA C[C@@](NC/C=C/CN[C@](C)(C(N)=O)c1cccc(Cl)c1)(C(N)=O)c1cccc(Cl)c1 2325707468 MCHWYJWNLAZXJX-JJUPHKBPSA-N 449.382 2.830 0 50 IFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Br)cc2)CC1 2325882152 ASZXWUJNMOPKGB-QGZVFWFLSA-N 434.334 2.803 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(Cl)cc2)cc1 660561 KNZUXAHTPAWYTF-SFHVURJKSA-N 438.933 2.839 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 1157154 AYFALMIJBGFFGM-UHFFFAOYSA-N 441.303 2.625 0 50 IFAA NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCCC2 1195021 NOLYDDMGWPWFNU-UHFFFAOYSA-N 433.555 2.763 0 50 IFAA COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1 13009129 ORAMDQPRPUTERN-UHFFFAOYSA-N 426.908 2.904 0 50 IFAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cnn(Cc3ccccc3)c2)CC1 14956324 CXIXPVWAVVYWLV-DEOSSOPVSA-N 440.588 2.911 0 50 IFAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)Nc1ccccc1C 16447833 KATPDVDZEZMYHX-FQEVSTJZSA-N 425.510 2.978 0 50 IFAA CCC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 100560735 VEYCKQZMUKJGTH-LJQANCHMSA-N 440.496 2.826 0 50 IFAA biogenic CCOCCO[C@@H](C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1 170608596 XKNYOWAZJFBOPO-HNNXBMFYSA-N 428.371 2.577 0 50 IFAA CCOC(=O)c1cn(CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1 253431942 YVFVEBZHGMMRPJ-UHFFFAOYSA-N 425.816 2.711 0 50 IFAA CCc1nsc(N2CCCN(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)n1 464852831 IRKJBAHISRKNEJ-UHFFFAOYSA-N 449.024 2.615 0 50 IFAA CC(C)[C@H](C(=O)O)N1CC[C@@H](NC(=O)CN(Cc2ccccc2)Cc2ccccc2)C1=O 479005879 IAYHNIATANGMPT-FYYLOGMGSA-N 437.540 2.515 0 50 IFAA Cc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)n[nH]4)o3)C2)n[nH]1 1506399010 VVISNMZZOVQNJJ-JTQLQIEISA-N 430.412 2.683 0 50 IFAA COc1cccc2c1OCc1cn(nn1)CCCC(=O)N1CCC3(CCCN(C2)C3)CC1 1704323003 NDNTYLBXFYQSEU-UHFFFAOYSA-N 439.560 2.864 0 50 IFAA O=C(NC[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2O)C1)c1ccncc1Cl 1875253536 DZNPLQFDDOSTFD-ZDUSSCGKSA-N 425.876 2.666 0 50 IFAA CC(C)C[C@@H]1C[C@@H](C(=O)OCCN2c3cccc4cccc(c34)S2(=O)=O)CC(=O)N1 1875259709 YHJCJAXTSNSTMQ-IAGOWNOFSA-N 430.526 2.833 0 50 IFAA Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnn2c1C[C@H](N)CC2 1875324117 IGGBVCXVDFHFJV-OAHLLOKOSA-N 443.511 2.856 0 50 IFAA O=C(NC[C@H]1CC2(CCC2)CN1C(=O)c1ccc2nccnc2c1)c1cncc2nc[nH]c12 1875359712 NJWWPLBXRBYESM-MRXNPFEDSA-N 441.495 2.716 0 50 IFAA Cc1ccc(-n2ncc(-c3ccccc3)c2NC(=O)[C@@H]2CCc3nn(C)c(=O)n3C2)cc1 2356138799 IJWBJMJRTYVTOH-GOSISDBHSA-N 428.496 2.944 0 50 IFAA COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc2c(c1)C(=O)N(C)C2=O 678688 DAVBZOXJWDQUIG-UHFFFAOYSA-N 448.298 2.810 0 50 IFAA COC(=O)c1c(OCCc2ccsc2)cc(=O)n2c1CCN(C(=O)CC(C)C)CC2 11786666 CAYMOPTXYMOUEK-UHFFFAOYSA-N 432.542 2.749 0 50 IFAA COc1cc(CNCc2cccc(Cl)c2)ccc1OC[C@@H](O)CN1CCC(O)CC1 12580457 FKIDTFMHYYBSCD-NRFANRHFSA-N 434.964 2.835 0 50 IFAA CC(C)c1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 14886619 BHIFCPUZTMPTHW-UHFFFAOYSA-N 439.585 2.938 0 50 IFAA O=C(c1cn([C@@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)nn1)N1CCCC1 14990943 KDXYJWDBCVIYHJ-HSZRJFAPSA-N 436.604 2.858 0 50 IFAA CCC[C@]1(C2CCN(C(=O)c3ccoc3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 15007332 UYAIGIUKVULALP-AUSIDOKSSA-N 430.549 2.707 0 50 IFAA Cc1cc2c(=O)n(Cc3cccnc3)c(SCC(=O)Nc3nncs3)nc2s1 17097047 RMEJXFHUBWWJEU-UHFFFAOYSA-N 430.540 2.792 0 50 IFAA O=C(NC1CC1)c1cn(C2CCCCC2)cc(C(=O)N2CCN(C3CCCC3)CC2)c1=O 59322784 WGGXKRQRZYQUAT-UHFFFAOYSA-N 440.588 2.946 0 50 IFAA C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1 170676634 CXYNONVFACWLAY-CYBMUJFWSA-N 429.464 2.760 0 50 IFAA O=C(N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1875313896 WSXOQMVHHNVRRY-DENIHFKCSA-N 446.573 2.783 0 50 IFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2)nc(OC)n1 780112 CHWMIKTXSAVKKI-JXMROGBWSA-N 430.442 2.540 0 50 IFAA CCOC(=O)COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC 1126785 UHBSKFUYXGSFAR-NRFANRHFSA-N 439.468 2.904 0 50 IFAA NS(=O)(=O)c1ccc(N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 1446755 INIBAVFANZKYGZ-OAHLLOKOSA-N 436.748 2.801 0 50 IFAA COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3c[nH]cn3)C2)c1 14533075 ZZQKTVMERAIOGI-JOCHJYFZSA-N 448.523 2.531 0 50 IFAA CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C(=O)CCc3cccc(OC)c3)C2)nn1 14972408 XUUPCUXDYLAEFH-IBGZPJMESA-N 427.549 2.640 0 50 IFAA COc1cccc(OC[C@H](O)CN2C(=O)CC[C@H]2CCNCCOc2ccc(F)cc2)c1 15007733 UOJSKHSLEPVZDC-VQTJNVASSA-N 446.519 2.624 0 50 IFAA CN1CCN(C[C@H](O)COc2ccc(CNCC3C4CC5CC(C4)CC3C5)cc2)CC1 19789607 VWOJONJYXGATPA-OWXPVBEESA-N 427.633 2.836 0 50 IFAA CNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)ccc1OC 241719850 QQCNNOCYOHXPDD-LJQANCHMSA-N 445.585 2.635 0 50 IFAA Cn1cc(CNC2CCN(c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)cn1 299755406 BVPCREGEUYWKQT-UHFFFAOYSA-N 425.558 2.980 0 50 IFAA Oc1ccccc1N1CCN(c2cc(N3CCN(c4ccccc4O)CC3)ncn2)CC1 301782716 JZKXHEYBULHALG-UHFFFAOYSA-N 432.528 2.541 0 50 IFAA Cc1cccc(N2N=C(c3nc(-c4cccc([C@@]5(C)NC(=O)NC5=O)c4)no3)CCC2=O)c1 1321108375 FPIGSMAFMHZWDR-HSZRJFAPSA-N 444.451 2.631 0 50 IFAA O=C(O)[C@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)CC12CCOCC2 1800414512 RIAGKLMQDMARKW-QGZVFWFLSA-N 434.920 2.532 0 50 IFAA O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)CC1 814973 WACIKHRNXPQATL-KRWDZBQOSA-N 432.274 2.520 0 50 IFAA COc1ccc(C)cc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1 880185 CRWWAZNSXZHVHQ-UHFFFAOYSA-N 425.510 2.910 0 50 IFAA Cc1cc(S(=O)(=O)c2ccc(Cl)cc2)c(C)c(S(=O)(=O)N2CCOCC2)c1 1196978 GKXQYROGJMLFDI-UHFFFAOYSA-N 429.947 2.811 0 50 IFAA COc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCCC3)cc1 6924803 GPFDSPMUBJMLOV-AWEZNQCLSA-N 448.566 2.805 0 50 IFAA CSc1ccccc1N1C(=O)CN(C(=O)Cc2ccc(N3CCNC3=O)cc2)C[C@@H]1C 12204990 QKKCQLCMFVVTAL-INIZCTEOSA-N 438.553 2.745 0 50 IFAA CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)c1occc1C)C2 14533155 FTQHPPDWFKTKRB-UHFFFAOYSA-N 447.539 2.965 0 50 IFAA O=C(NCCCN1CCOCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1 19848472 DKMLIFAWYXLFOX-UHFFFAOYSA-N 439.850 2.730 0 50 IFAA CCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@@H](C(F)(F)F)C[C@H]2C)n(C)n1 20606137 ZLAIFHKHIZJRST-IUODEOHRSA-N 426.443 2.949 0 50 IFAA CCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)s1 169772976 QQDWDTIKTOXORH-MRVPVSSYSA-N 435.307 2.731 0 50 IFAA COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(CC1CCC1)[C@H](C)CO 170601842 QKUJQDKFQCPFNT-QGZVFWFLSA-N 438.590 2.883 0 50 IFAA CCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2S(N)(=O)=O)s1 328593963 DXMXNIGBCYORHZ-UHFFFAOYSA-N 425.351 2.521 0 50 IFAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(S(=O)(=O)c3cc(-n4cccn4)ccc3C)C[C@H]12 1857667852 YTICCODHIZMYJW-VKRLORBYSA-N 429.542 2.803 0 50 IFAA C=CC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)CC23CCOCC3)c1 1875372162 YEXWLLRVCMPMHC-INIZCTEOSA-N 445.516 2.805 0 50 IFAA CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)N[C@H](CO)c3ncc[nH]3)c2)c1 2325854198 RUAXJFQGDRMBDM-GOSISDBHSA-N 437.456 2.694 0 50 IFAA Cn1c(=O)c2c(nc3n(C[C@H](O)c4ccccc4)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 720377 SOXULTFYCWMQCJ-SFHVURJKSA-N 449.898 2.740 0 50 IFAA COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc3ncccc3c1)CC2 11786989 JVQXWUFRTKCKGY-OAQYLSRUSA-N 436.560 2.734 0 50 IFAA CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2cnn4cccnc24)C3)cc1 12049548 CAOPDKMWZGCPRZ-KRWDZBQOSA-N 448.504 2.533 0 50 IFAA CC[C@H]1CN(CCC(=O)N2CCC(O)(c3ccccn3)CC2)Cc2cc(OC)ccc2O1 12125949 VWPPRBJYMIHVFC-FQEVSTJZSA-N 439.556 2.964 0 50 IFAA CCOC(=O)CCNC(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 12718404 PSVWTZVDRCJPIX-OAHLLOKOSA-N 425.476 2.736 0 50 IFAA CCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)CCc1cnccn1)CC2 14743347 WGXQHDGUYGGDTH-UHFFFAOYSA-N 433.512 2.610 0 50 IFAA Cc1ccccc1[C@@]1(CC(=O)N2CCN(C)[C@H](C)C2)CC(=O)N(Cc2ccccc2)C1=O 20783086 GTSDPCRDEBZWRX-FQRUVTKNSA-N 433.552 2.745 0 50 IFAA O=C(c1cccs1)[C@@H]1[C@H](c2ccc3c(c2)OCO3)NC(=S)N[C@]1(O)C(F)(F)F 35350886 ZQKUXTFDTKXXLY-HEHGZKQESA-N 430.429 2.746 0 50 IFAA COc1cc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc(OC)c1 65365665 QXURLMUPGVZRLG-UHFFFAOYSA-N 437.504 2.650 0 50 IFAA CCOC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)C(=O)[C@H]1COC(C)(C)CC1=N2 101288363 RRJSXEGKEFQWHH-AWEZNQCLSA-N 441.509 2.972 0 50 IFAA O=C(Cc1cn2ccccc2n1)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 170672821 ZHJLNNDMCAVVCC-KRWDZBQOSA-N 441.285 2.933 0 50 IFAA O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 238900190 HVOCIDAILGPVJB-CTYIDZIISA-N 448.317 2.680 0 50 IFAA CN(C)[S@@](C)(=O)=NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 1875319459 CZSNRCSVFHYCOQ-HKBQPEDESA-N 435.513 2.651 0 50 IFAA CC(C)N(Cc1cncn1C)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 2325840234 UWRZHVYHSPNYCU-UHFFFAOYSA-N 433.578 2.715 0 50 IFAA Cc1cc(C(=O)NC[C@@H]2CC3(CCNCC3)C(=O)O2)c2cc(Br)ccc2n1 2325853759 AFQYVNNUJYSKIY-AWEZNQCLSA-N 432.318 2.721 0 50 IFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(I)ccc1OC 1074620 QCTGLWAKBIXZFT-CQSZACIVSA-N 430.242 2.833 0 50 IFAA CCN(C[C@@H]1CCCO1)C(=S)NC(=O)c1ccc(OC)c(I)c1 1076339 PQLDAXFLQTWNQN-LBPRGKRZSA-N 448.326 2.815 0 50 IFAA O=C(CCSCCC(=O)NCc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 2745064 UGVWZBXMMQZCDQ-UHFFFAOYSA-N 444.509 2.590 0 50 IFAA CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 2875272 SGNPMHSBQUGRLR-UHFFFAOYSA-N 440.949 2.727 0 50 IFAA Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)o1 9273809 PICIDSBJNRYOBS-CQSZACIVSA-N 430.526 2.756 0 50 IFAA C/C(=C\c1ccccc1)CN1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1 11814433 ZEHRIOHCZKWTSO-CAPFRKAQSA-N 431.540 2.935 0 50 IFAA CCOC(=O)[C@H]1CCCCN1Cc1cnc(S(=O)(=O)C2CCCC2)n1CCCOC 55360971 KWONNBIKNRPDLW-LJQANCHMSA-N 441.594 2.554 0 50 IFAA CC(C)[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)O)C(=O)OCc1ccccc1 100816645 HJNYSZOPKBPHFX-DZFGPLHGSA-N 442.512 2.546 0 50 IFAA O=C(CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O)Nc1ccc2c(c1)OCO2 169758053 WSNYUTHXTLLGOO-LJQANCHMSA-N 441.827 2.585 0 50 IFAA COc1ccc(CC(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(OC)cc3)CC2)cc1 169777238 ITFNXGLQKCFTFM-UHFFFAOYSA-N 436.512 2.586 0 50 IFAA O=C(CN1C(=O)c2ccccc2C2(CC2)C1=O)Nc1ccc(I)cc1 170600448 GUYSLXSAUBHKTK-UHFFFAOYSA-N 446.244 2.944 0 50 IFAA CN1CCCc2ccc(S(=O)(=O)Nc3ccc(N4CCCCC4)cc3C(N)=O)cc21 170617458 JDMYNBPZZPILOR-UHFFFAOYSA-N 428.558 2.959 0 50 IFAA Cc1ccc(N2CCC[C@H](N3CCN(CC(=O)NC4CCC(C)CC4)CC3)C2=O)cc1 744395109 RRAHKFUGGOBSQW-IRSIHTCSSA-N 426.605 2.803 0 50 IFAA CN1CC[C@@H](NC(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)[C@@H]1c1ccccc1 1875331532 LTVCEPKMVNQCMR-NMNFXAFOSA-N 434.540 2.650 0 50 IFAA COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC(NC(=O)c4occc4C)CC3)C2)c1 2325739296 NBMNAKJGNDKQBE-FQEVSTJZSA-N 441.484 2.519 0 50 IFAA CCS(=O)(=O)c1cccc(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]3Cc3ccccc3)CC2)c1 2325828220 BGHYYVQKTIFJIO-PZJWPPBQSA-N 440.565 2.738 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 1112509 RHAATXBJMPVOBQ-UHFFFAOYSA-N 425.532 2.523 0 50 IFAA CCCc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)n[nH]1 11819671 KSPPJYLHCRXRIL-QHCPKHFHSA-N 433.556 2.865 0 50 IFAA Cc1ncc2c(c1CNC(=O)CSc1ccccc1)CCN(C(=O)[C@@H]1CCCO1)C2 11913441 GHCQFMOBNJRMGB-NRFANRHFSA-N 425.554 2.862 0 50 IFAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc1 12713556 FPGMCYQOLWIPSG-GOSISDBHSA-N 432.542 2.681 0 50 IFAA CCOC(=O)c1nn(CCc2scnc2C)c2c1CN(Cc1ccc(CO)o1)CC2 14740556 HORLJWOXDFRLJD-UHFFFAOYSA-N 430.530 2.711 0 50 IFAA COc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c2ccccc12 19742435 ILLZHLOFAMVHAF-UHFFFAOYSA-N 442.523 2.823 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C 55035789 AEBCYTQXPLQNOH-OOTRUBSTSA-N 425.573 2.779 0 50 IFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 446389883 ZQHVHAZUFQKSTQ-IIBYNOLFSA-N 426.467 2.888 0 50 IFAA Cc1cc(C[C@H](C)NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)n(-c2ccccc2)n1 448447941 LRZIVYFPAHGIOT-IZHWHUGBSA-N 431.496 2.596 0 50 IFAA Cc1nc(C)c(C(=O)N2CCC3(CCC[C@@H]3NC(=O)c3cccn(C)c3=O)CC2)s1 1857680850 WVBQYSYMIHIREY-KRWDZBQOSA-N 428.558 2.664 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Br 869421 PCCNFFMFNCIMJY-UHFFFAOYSA-N 427.276 2.583 0 50 IFAA CCOc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)cc1 876958 ZUHLMKZTSUVUGD-UHFFFAOYSA-N 425.510 2.992 0 50 IFAA O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 11813029 ICNIUMHYNXWPIZ-UHFFFAOYSA-N 443.473 2.655 0 50 IFAA COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(C/C=C/c1ccc(OC)cc1)CC2 12034468 TWKDMDRFLQEBCD-YAQIIAKESA-N 441.576 2.708 0 50 IFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N2CCNC(=O)C2(C)C)c1 12458397 BGWPNEZBVBXWFD-UHFFFAOYSA-N 429.561 2.832 0 50 IFAA COc1cccc(CCC(=O)N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)c1 12710709 MVIAVDQSCPKDAH-GOSISDBHSA-N 426.517 2.663 0 50 IFAA CC(C)n1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(=O)c(C(=O)NC(C)(C)C)c1 14986717 DRVXLFARQFTRBL-IBGZPJMESA-N 438.572 2.962 0 50 IFAA COc1ccc(C(=O)N[C@H](C)Cn2nc(C)cc2C)cc1OC1CCN(C(C)=O)CC1 15069813 UDDGDFRIQYMUSW-MRXNPFEDSA-N 428.533 2.717 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1 16521513 KKHGQYZLBSUVLR-UHFFFAOYSA-N 439.537 2.793 0 50 IFAA COc1ccc(OC)c(NC(=O)c2c(NC(=O)COCC(=O)O)sc3c2CCC3)c1 17098790 YEFHYEINHKDWAA-UHFFFAOYSA-N 434.470 2.546 0 50 IFAA O=C(c1nc2ccccn2c1CN1CCCC[C@@H]1CO)N1CCN(C2CCCCC2)CC1 19225587 NFQSOHVIKVWLIU-OAQYLSRUSA-N 439.604 2.772 0 50 IFAA CC(=O)N1CCCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC1 20782229 OEQLFTDFUXSQQR-UHFFFAOYSA-N 436.622 2.701 0 50 IFAA COc1ccc(CNCCc2cnn(C)c2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 23339480 DQBNKCOBUYZTIW-QHCPKHFHSA-N 438.572 2.633 0 50 IFAA O=C(Cc1ccc(F)cc1)N[C@@H](O)C(Br)(Br)Br 71770028 GZVYHATUMCSMNO-VIFPVBQESA-N 433.897 2.641 0 50 IFAA CCNC(=O)/N=c1/[nH]c2cc(-c3cnc(C(C)(C)O)nc3)c(F)c([C@H]3CCCO3)c2[nH]1 95566004 BKUISYCLLXCBJV-CQSZACIVSA-N 428.468 2.801 0 50 IFAA O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 170593275 HIKKGFIMHHXXDQ-OAQYLSRUSA-N 436.537 2.869 0 50 IFAA Cc1nccn1-c1ccc(NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)cn1 729839248 COXOLTRBYLZCDO-UHFFFAOYSA-N 433.440 2.547 0 50 IFAA C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)C1CC(c2ccc(OC(F)(F)F)cc2)C1 1875263315 YHMIDFMNKDKMRN-IGHZYHEGSA-N 434.480 2.865 0 50 IFAA Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1 1146808 VZTUWEIJDFZTBR-YVLHZVERSA-N 425.466 2.534 0 50 IFAA COc1ccc(/C=C/C(=O)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1OC 2900239 DVJJMJZAFIXLCG-JXMROGBWSA-N 430.526 2.968 0 50 IFAA CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)Cc2ccsc2)C3)n(C)n1 12036709 OOJBJAAKNOOADR-UHFFFAOYSA-N 437.569 2.805 0 50 IFAA CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621343 XNADVQOUEDFBQY-UHFFFAOYSA-N 430.464 2.700 0 50 IFAA biogenic CC1(C)Cc2c(cnn2-c2ccccc2Cl)CN(C(=O)[C@@H]2CN3CCCN2CC3)C1 952895203 XYQQRKLUXJSOLQ-NRFANRHFSA-N 427.980 2.827 0 50 IFAA COc1cc(Cn2c(-c3cccc(C)n3)nnc2N2CCOCC2)cc(OC)c1OC 1768305029 YIGJDPKSIBEMAB-UHFFFAOYSA-N 425.489 2.559 0 50 IFAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(C(=O)C2Cc3ccccc3C2)CCCN1 1875242377 PIKZZCURGOJOLV-NRFANRHFSA-N 447.579 2.820 0 50 IFAA O=C(NCCc1nnnn1-c1ccccc1)NCc1cccc(OCc2ccccn2)c1 1875252496 NFGPMPQROLVDOB-UHFFFAOYSA-N 429.484 2.678 0 50 IFAA Cc1cn2c(n1)C[C@H](C(=O)NCC[C@H]1CN(c3ncnc4n[nH]cc34)c3ccccc31)CC2 1875287814 AKRITRPICKZASD-SJORKVTESA-N 442.527 2.862 0 50 IFAA Cc1noc([C@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)n1 1875334101 YHBTWMRGLHDHEW-KBPBESRZSA-N 444.410 2.812 0 50 IFAA C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC([S@@](C)(=O)=NC(=O)c3ccc4nonc4c3)CC2)[C@@H]1C 2332238637 GFVUORNONMOQGP-FZLRQNRDSA-N 448.545 2.511 0 50 IFAA NS(=O)(=O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 754373 UGRNAMCLIKFIJF-LIKPIUCQSA-N 430.485 2.731 0 50 IFAA O=C(O)c1cc(C(=C2CCC(=O)[C@@H](C(=O)O)C2)c2ccc(O)c(C(=O)O)c2)ccc1O 4529298 BWIVUOSTPYEJJO-HNNXBMFYSA-N 426.377 2.750 0 50 IFAA CCNC(=O)C[C@H]1C(=O)N(c2ccccc2)C(=O)N1CCc1ccc(OC)c(OC)c1 5027798 YENAODGBHTUOJX-SFHVURJKSA-N 425.485 2.610 0 50 IFAA COc1cccc(OC)c1CN1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1 12040602 BVKTUHZDWRPODL-UHFFFAOYSA-N 449.555 2.635 0 50 IFAA Cc1cc(C)n(CCNC(=O)[C@H]2CC(=O)c3sc(NC(=O)c4ccsc4)nc3C2)n1 12456721 JZOPYUIJYUCSMJ-CQSZACIVSA-N 443.554 2.832 0 50 IFAA COc1cc(CO[C@H]2CN(C(=O)c3ccccc3)CC(=O)N(C(C)C)C2)cc(OC)c1 14533164 ZDXOWBIUZFFQCD-QFIPXVFZSA-N 426.513 2.982 0 50 IFAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCC(N3CCC[C@H](O)C3)CC2)cc1 15004572 GCAMTECWBGQFFQ-QFIPXVFZSA-N 437.540 2.771 0 50 IFAA CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 16606950 DUSRDYBPHTWTMM-HOTGVXAUSA-N 428.876 2.690 0 50 IFAA CCOc1ccccc1CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCc1ccccc1Cl 64157729 DCTPRWDKKJYZQO-QUCCMNQESA-N 440.935 2.857 0 50 IFAA O=C(Cc1cccc(I)c1)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 434055395 XEZSPUBPERYVME-SMDDNHRTSA-N 427.204 2.996 0 50 IFAA COc1nc(Br)ccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 788760665 JIZPACXNONEOAF-UHFFFAOYSA-N 426.292 2.883 0 50 IFAA Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CCN(Cc3cccs3)CC2)c1 827801713 RRVCTPHUOICFAO-QFIPXVFZSA-N 440.613 2.528 0 50 IFAA CCCCNC(=O)[C@@H](c1cnc(N(C)C)nc1)N(C(=O)c1ccccc1)c1nn(C)cc1C 2325827039 SVMKZAKWVKPTEX-HXUWFJFHSA-N 449.559 2.889 0 50 IFAA COc1cncc(C(=O)N2CCC([S@](C)(=O)=NC(=O)c3coc(C4CC4)n3)CC2)c1C 2332238930 QDBSXDSSVMTWSL-HKBQPEDESA-N 446.529 2.807 0 50 IFAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 9226889 YVMPTTNVINBGAI-MRXNPFEDSA-N 440.525 2.598 0 50 IFAA CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cnsn2)CC1 14956321 UWYPIKSDZAFZJC-FQEVSTJZSA-N 438.557 2.507 0 50 IFAA O=C(c1cn([C@H]2CCCN(C3CCN(CCc4ccccc4)CC3)C2)nn1)N1CCCC1 14990946 KDXYJWDBCVIYHJ-QHCPKHFHSA-N 436.604 2.858 0 50 IFAA CCCS(=O)(=O)c1ncc(CN2CCN(C3CCCCC3)CC2)n1C[C@H]1CCCO1 19787907 XSXHTIHHQMVHJY-OAQYLSRUSA-N 438.638 2.696 0 50 IFAA O=C(COc1ccc(CNC23C[C@@H]4C[C@H](C2)CC(n2ncnn2)(C4)C3)cc1)N1CCCC1 952971158 IUWQGYGODKGOTN-TUUBTQOTSA-N 436.560 2.512 0 50 IFAA Cc1nnc(N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c2ccccc12 1857717288 PMIUPSMZNILJGY-UHFFFAOYSA-N 432.528 2.755 0 50 IFAA CN(CCCn1c(-c2ccccc2)cs/c1=N/c1ccc(C(N)=O)cc1)S(C)(=O)=O 1875252837 WKXKMGJXETYGNL-XTQSDGFTSA-N 444.582 2.829 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1CCc2nc[nH]c2C1 1875287846 CDNYSRXOAJCICC-LSDHHAIUSA-N 428.500 2.623 0 50 IFAA O=C(c1ccc(C(=O)N2CCC3(CC2)OCCc2sccc23)cc1)N1CCOCC1 2356169699 WJYNAKYQEKLNLC-UHFFFAOYSA-N 426.538 2.925 0 50 IFAA CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)NC(Nc3nc4ccccc4s3)=N2)cc1 2259893 RUXOKVRJTBEULL-OAHLLOKOSA-N 437.481 2.768 0 50 IFAA COCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 2961008 TXOLNYKLZBYKGL-UHFFFAOYSA-N 441.347 2.715 0 50 IFAA Cc1cccc(-c2cccc(C(=O)NCCCn3cc(C(=O)N4CCOCC4)nn3)c2)c1 11784393 KDYIPZHNYRJUHC-UHFFFAOYSA-N 433.512 2.546 0 50 IFAA COCCn1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)NC2CCCCCCC2)c1 11872163 RWTPJUPSIZEBMH-UHFFFAOYSA-N 429.517 2.860 0 50 IFAA O=C(c1cccc(F)c1)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 15005580 BSAQOKCAVPLMDN-UHFFFAOYSA-N 444.466 2.979 0 50 IFAA CCOC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@@H]1c1cccs1 20029412 OGSIYSLYFZJQBT-HXUWFJFHSA-N 444.532 2.881 0 50 IFAA CC(C)Cc1ccc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 20783481 RDOKXPBQCDIMRU-OAQYLSRUSA-N 433.622 2.781 0 50 IFAA O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(Cl)cc1 100041738 NPPXRFMWYOCJIN-GOSISDBHSA-N 427.888 2.518 0 50 IFAA C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCC[C@@H](C)[C@@H]2C)C1)C(=O)Nc1ccc2c(c1)OCO2 229417297 MBEKJHUHBKSWHB-QYXWGXCQSA-N 430.501 2.959 0 50 IFAA Cc1nocc1CNc1ccc(S(=O)(=O)N[C@H]2CCCC23OCCO3)c(Cl)c1 1875342781 GWEAZCQZGAJXNL-KRWDZBQOSA-N 427.910 2.822 0 50 IFAA CC1(C)CC[C@H]1C(=O)N1Cc2ccccc2OC2(CCN(C(=O)c3cncc(N)n3)CC2)C1 1875361697 ZAONDYWAQTUFPI-SFHVURJKSA-N 449.555 2.891 0 50 IFAA CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccc(NC(C)=O)s2)CC3)CC1 11908951 FJGLIWIHDITADB-SFHVURJKSA-N 448.589 2.609 0 50 IFAA COc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)C[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 12420957 PJRAYPJPBFRIPC-IYBDPMFKSA-N 446.525 2.722 0 50 IFAA CCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccco3)C(=O)CCC(=O)O)C2=O)cc1 13154678 ZISDUUZIUAZXNF-SFHVURJKSA-N 428.441 2.594 0 50 IFAA CN(Cc1ccncn1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 13637076 XKQITKLRHUFZTL-QHCPKHFHSA-N 445.523 2.618 0 50 IFAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1ccc(Cl)cc1 14944988 UMWHVBTZIYRUQL-FBAVSBLXSA-N 425.847 2.910 0 50 IFAA COc1cccc(CNC(=O)c2cn(C(C)C)cc(C(=O)NCC(C)C)c2=O)c1OC 14987982 LECZCNXHNBHNFS-UHFFFAOYSA-N 429.517 2.762 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(Cc4ccccc4)CC3)CC2)cc1 44910463 NPAJMXBAYRLOLH-UHFFFAOYSA-N 441.597 2.740 0 50 IFAA COC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1 101547598 WCRQSCXWTPREOC-RNDWMSIDSA-N 432.476 2.837 0 50 IFAA CCN(C1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1)S(C)(=O)=O 482931881 XQSHUTKBGCJJIW-QGZVFWFLSA-N 427.542 2.883 0 50 IFAA COc1ccnc(CN2C[C@@H]3[C@H](CNC(=O)c4cccs4)[C@H]4CC[C@]3(C2)O4)c1OC 1704329228 OUXMDNGKLYPYOF-FBGZYWISSA-N 429.542 2.570 0 50 IFAA O=C(CCNS(=O)(=O)C(F)(F)F)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 1875256759 HXWSJOHKPLOEFY-QGZVFWFLSA-N 430.448 2.578 0 50 IFAA NS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccc(Cl)c2)co1 1875258449 AGTVKTOHQTWRMQ-GOSISDBHSA-N 434.901 2.956 0 50 IFAA COc1ccc(Sc2ccc(NC(=O)C(=O)N3[C@H]4CC[C@H]3C(=O)NC4)cc2Cl)cc1 2325819169 YCUIYWSAZIOYTP-GUYCJALGSA-N 445.928 2.928 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)C2CC(c3ccccc3)C2)CC1=O 2325819921 VCCAIGUDQNUHKQ-GXVGGZGZSA-N 426.538 2.988 0 50 IFAA O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 20745408 XPRLADBFCKHGEL-UHFFFAOYSA-N 434.378 2.727 0 50 IFAA Cc1cc(C)cc(-n2ncc([C@@H]3NC(=N)Nc4nc5cc6c(cc5n43)OCCCO6)n2)c1 781102637 IGJBKHPSGUFZRE-HXUWFJFHSA-N 430.472 2.892 0 50 IFAA O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)N1CC[C@@H](N2CCCC2=O)C1 792217240 LRRCWLYVCXLQJU-GOSISDBHSA-N 441.557 2.875 0 50 IFAA COc1cccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccc(Cl)s4)C[C@]3(CO)C2)c1 1772808400 PCHDEYDISGTNAL-BEFAXECRSA-N 442.990 2.525 0 50 IFAA O=C(COc1cccc(-n2cnnc2)c1)N[C@H]1CC[C@H](CN2Cc3ccccc3C2=O)CC1 1775942528 YCDZYPQZMCFTMT-KESTWPANSA-N 445.523 2.977 0 50 IFAA COC(=O)c1n[nH]c2c1CN(C(=O)[C@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2 1857724274 SKHDRUPDJDBWFJ-LBPRGKRZSA-N 443.891 2.792 0 50 IFAA O=C(COc1cccc2ccccc12)N1CCN(C(=O)Cn2c(O)nc3ccccc32)CC1 1875253209 WIPFYJBPCRVDSG-UHFFFAOYSA-N 444.491 2.645 0 50 IFAA O=C([C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1)N1CCc2c(O)ncnc2C1 1875259274 CTXFZUZOWFWZLF-NRFANRHFSA-N 430.464 2.835 0 50 IFAA CC(=O)N1CCN(c2cccc(NC(=O)NC[C@@H](O)c3cccc(OC(F)F)c3)c2)CC1 1875265099 YDLXHMDIRCARHM-HXUWFJFHSA-N 448.470 2.812 0 50 IFAA COc1cc(CNCCN2CCOCC2)cc(Br)c1OCc1cccnc1 19872459 MLKDZVOLWNDBFM-UHFFFAOYSA-N 436.350 2.854 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(F)cc2F)CC3)cc1 20780468 RWLQRZBQDNQHAC-UHFFFAOYSA-N 441.482 2.596 0 50 IFAA CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3ccccc3OC)c2)CC1 23359007 OVVWXEUCAJSMTO-HSZRJFAPSA-N 427.589 2.704 0 50 IFAA COc1ccc([C@H](CN2C(=O)CN(Cc3cc(OC)cc(OC)c3)C2=O)N(C)C)cc1 225450765 LGGMJXNIXUVFQH-NRFANRHFSA-N 427.501 2.780 0 50 IFAA CCOc1ccc(OC(C)(C)C(=O)N=[S@@]2(=O)CCCN(C(=O)c3cnco3)CC2)cc1 2332238429 UZEJAZNGAFDBPX-WJOKGBTCSA-N 449.529 2.771 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccc2c(c1)OCO2 2871354 KJGBSGRJFUGHSI-UHFFFAOYSA-N 445.266 2.722 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cc(F)ccc2C)c(C)c1C 12571172 XSLXVMCGLHNQMN-NRFANRHFSA-N 427.520 2.766 0 50 IFAA COc1cc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)ccc1OC(C)=O 16321839 IPUXBPKMNJWTQR-UUASQNMZSA-N 446.282 2.548 0 50 IFAA COc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c(OC)n1 61969829 ABZBQIFXTFJTAK-GOSISDBHSA-N 440.544 2.534 0 50 IFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)(c2ccccc2)CC1 1295282837 UEOZWYQBTPQULY-OAQYLSRUSA-N 434.540 2.730 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1CCc2nccn2C1 1875287939 HBDNNXKNUYNLNR-CVEARBPZSA-N 428.500 2.554 0 50 IFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(I)c2)cc1 2849267 PDQOODODCNIKOB-UHFFFAOYSA-N 444.294 2.859 0 50 IFAA CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 170603265 DWKSDJRENMWCDE-YYWHXJBOSA-N 427.545 2.729 0 50 IFAA CCCCNC(=O)c1c(NS(=O)(=O)c2ccc(C(=O)OCCC)cc2)nc(C)n1C 170617393 CTXWGPAPBGQGOI-UHFFFAOYSA-N 436.534 2.626 0 50 IFAA CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 225767931 SWQLGKBVXBXXBE-TZIWHRDSSA-N 446.592 2.682 0 50 IFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)cc2)nc(C)n1 239287378 CRDFRHIEYSAUMV-YXUGBTPSSA-N 444.513 2.580 0 50 IFAA CCOc1ccc2nc(N3CCC[C@@H](C(=O)N4CCCN(C(C)=O)CC4)C3)nc(C)c2c1 299784263 HMAKAFPATWOYMX-LJQANCHMSA-N 439.560 2.634 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)nc4cc(F)ccc34)CC2)cc1 824684237 CSECLCGNNDKCOK-UHFFFAOYSA-N 443.500 2.838 0 50 IFAA CSCC[C@H](C(=O)Nc1n[nH]c(-c2ccccc2)n1)n1c(O)nc2ccccc2c1=O 888089256 RAMGMMNEIZVHSQ-MRXNPFEDSA-N 436.497 2.820 0 50 IFAA COC(=O)c1nc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)sc1-c1cccc(F)c1 888105466 NJPALVFGZMJKAS-UHFFFAOYSA-N 446.460 2.539 0 50 IFAA CCCOc1cccc(CCNC(=O)[C@H]2CC(=O)N(c3nnc(COCC)s3)C2)c1 1857739100 JOPOEMWMVSATNO-INIZCTEOSA-N 432.546 2.575 0 50 IFAA CCN1CCN(Cc2cnc(N(C(C)=O)c3ncc(Br)s3)nc2)CC1 1875350200 FBGPCQQHSZQQJU-UHFFFAOYSA-N 425.356 2.518 0 50 IFAA CCO[C@@H](C)C(=O)N1CCC[S@@](=O)(=NC(=O)c2csc(-c3ccc(C)o3)n2)CC1 2332238806 MFBHNTLRHNJEPX-MMEWPQADSA-N 439.559 2.977 0 50 IFAA COC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 1134486 SFKLALXWWKEJGD-UHFFFAOYSA-N 431.251 2.660 0 50 IFAA COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 2873875 RYSCWEDJPWGBOT-SFHVURJKSA-N 432.542 2.729 0 50 IFAA COc1ccc(CCC(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)cc1 12278870 HHKUXFLUYLKFNE-IBGZPJMESA-N 427.549 2.829 0 50 IFAA COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnsn2)cc1OCC1(C)COC1 14878861 LMGGRSSWTXTUOM-MRXNPFEDSA-N 433.530 2.783 0 50 IFAA Cc1csc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(F)cc3)n2C)n1 16474904 IIPHUVFMJFTILD-NSHDSACASA-N 434.522 2.941 0 50 IFAA O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32097464 TVCXBDMLTUEIAL-CQSZACIVSA-N 436.413 2.858 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)NCc1cc2cc(Cl)ccc2[nH]1 55576291 WJDCNFUGDJIRSY-FQEVSTJZSA-N 428.895 2.967 0 50 IFAA O=C(CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O)NCc1ccc(F)cc1 169764769 NZZVFCYIRYXWHQ-LJQANCHMSA-N 429.835 2.673 0 50 IFAA CCOc1ccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 239310418 IKBUZJDGSJVNQY-SJUNHDGSSA-N 434.414 2.991 0 50 IFAA C[C@@H](CCS(=O)(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 253534392 IFQRFKVUXUJKEV-WMCLFOKHSA-N 444.634 2.862 0 50 IFAA COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)cc1 832108 GGVOYBFRCISHRE-UHFFFAOYSA-N 425.510 2.910 0 50 IFAA CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccco3)cc2)s1 2374726 AGAPERQTGWWUNK-UHFFFAOYSA-N 437.528 2.621 0 50 IFAA O=S(=O)(NC[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1)c1ccccc1 4343200 JACCPGIJNMWQBX-JOCHJYFZSA-N 442.562 2.953 0 50 IFAA COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1nccs1)CC2 14539640 LFQQKXMYVYDIHC-UHFFFAOYSA-N 428.558 2.631 0 50 IFAA COc1ccc(CN2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)cc1 20451475 WASWVGQVHMDEHR-UHFFFAOYSA-N 427.455 2.553 0 50 IFAA CC(C)Cc1ccc(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1 20600817 UCSRESDSMBLWFB-UHFFFAOYSA-N 432.572 2.902 0 50 IFAA COCCCn1cnc2sc3c(c2c1=O)CC[C@H](N(CCO)Cc1ccccc1)C3 20601397 RSVYKPBBHHRQSE-SFHVURJKSA-N 427.570 2.846 0 50 IFAA O=C1N[C@@H](CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)C(=O)N1c1ccccc1 263585887 NOCPZPCCBWYKOU-SFKIGLBJSA-N 448.567 2.923 0 50 IFAA biogenic CN(C)C(=O)COc1ccc(NC(=O)NCc2cccc(N3CCC3=O)c2)cc1Cl 441623980 IUWQOIPVAXLPBB-UHFFFAOYSA-N 430.892 2.865 0 50 IFAA O=C1CC[C@H]2CN(C(=O)[C@H]3CN(Cc4nc(O)c5ccccc5n4)CCO3)c3cccc1c32 468637510 JAXINQPFTWFDDI-YCRPNKLZSA-N 444.491 2.643 0 50 IFAA Cc1nc2ccc(Cl)cn2c1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1301562200 UEZVAMBNRNZSSW-WBVHZDCISA-N 430.867 2.578 0 50 IFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)Cc2cn(C)c3ccccc23)cn1 1857715419 QRUXBCSVJMOZIF-ZCYQVOJMSA-N 435.572 2.909 0 50 IFAA CCN1C[C@H](C)[C@H](NC(=O)c2cc(F)c(-c3cn(CCCCC(=O)O)nn3)cc2F)C1 1875356300 SUSYKUXUDZGMHD-SCLBCKFNSA-N 435.475 2.548 0 50 IFAA Cc1cc(C)nc(N2CCC[S@@](=O)(=NC(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)CC2)n1 2332238653 GXVNUALAYSKVEA-OKXSDPAFSA-N 449.621 2.725 0 50 IFAA CCOc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(C)cc1 889089 RYZGWZYAAJCICU-SFHVURJKSA-N 432.542 2.884 0 50 IFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)nc(C)n1 913114 XFPNCNJHKVRVAA-LJQANCHMSA-N 440.481 2.673 0 50 IFAA COCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 2910890 LVBGSUYTNXKFCJ-UHFFFAOYSA-N 431.341 2.947 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 9892634 UIUWPRUVZJUPDH-UHFFFAOYSA-N 445.560 2.884 0 50 IFAA CO[C@H]1CCCN(C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)C1 12150534 CKQWAJMSWBLIBI-LAUBAEHRSA-N 438.446 2.892 0 50 IFAA O=C(CC[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1)NCc1ccccc1F 12477787 HCALFGJSZALDTO-QGZVFWFLSA-N 436.487 2.782 0 50 IFAA CN1CCC[C@@H](CNC(=O)c2cc(NC3CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 14541992 COCQXLWIPXLPHT-INIZCTEOSA-N 436.622 2.799 0 50 IFAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cnn(Cc3ccccc3)c2)CC1 14956330 CXIXPVWAVVYWLV-XMMPIXPASA-N 440.588 2.911 0 50 IFAA COc1ccc(CCN2C[C@H](C(=O)N3CCC(O)(c4ccccc4)CC3)CCC2=O)cc1 15063642 TUQRYJWSNCZJCS-OAQYLSRUSA-N 436.552 2.987 0 50 IFAA Cc1cc(S(=O)(=O)N2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)c(C)s1 15071928 ZTLOVOBRLGJRBU-SFHVURJKSA-N 442.628 2.885 0 50 IFAA COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(Cc1ccsc1)CC2 20166497 VSSFOQHICOVRSZ-UHFFFAOYSA-N 425.510 2.729 0 50 IFAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)CC1 35913015 MFIBEKFYSPVTCF-UHFFFAOYSA-N 444.376 2.699 0 50 IFAA COc1ccc(Nc2nc(N)nc(CN3CCN(c4ccc(F)cc4)CC3)n2)c(OC)c1 54274391 XQFIHQSTMOYOTR-UHFFFAOYSA-N 439.495 2.676 0 50 IFAA Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)C1 110355158 DMPBUOXTILSTEM-HNNXBMFYSA-N 446.960 2.956 0 50 IFAA Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCN3C3CCCCC3)C2=O)cc1 252510530 ZMXUHZICUKVDSH-HYBUGGRVSA-N 426.561 2.675 0 50 IFAA CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 252668982 GCHTWIYCYACSIH-RTBURBONSA-N 438.613 2.521 0 50 IFAA Cc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC(F)F)CC4)c3CO2)cc1 263617885 QFBNQRGIDLWYPG-SFHVURJKSA-N 432.471 2.697 0 50 IFAA Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)[C@@H]2CC(=O)OC24CCCCC4)CC3)n1 299776250 MDOZHIMOVUIPBW-PMACEKPBSA-N 439.556 2.901 0 50 IFAA Cn1c(C(F)(F)F)nc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21 409413978 MHUAFCJFLUDWII-AWEZNQCLSA-N 431.374 2.671 0 50 IFAA O=C(O)C[C@H]1CN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCO1 486395921 DXILGLYTQDOHEG-LPHOPBHVSA-N 430.888 2.903 0 50 IFAA COC(=O)c1cccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1C 2856981 SVVMWOUIGIVHEH-UHFFFAOYSA-N 440.905 2.848 0 50 IFAA CCOc1cc(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)O 2902396 BNDTVJOMIWSCLL-YBEGLDIGSA-N 428.466 2.820 0 50 IFAA COCCCNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 3463419 OBYICCKVTAKRDD-UHFFFAOYSA-N 428.913 2.823 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)NCc2ccc(OC)cc2)(c2ccccc2C)C1=O 11814337 SEYGYDNGULNPDN-RUZDIDTESA-N 438.524 2.743 0 50 IFAA CC[C@H](C)[C@H](NC1CCN(c2ccc(C(=O)N3CCN(CC)CC3)cc2)CC1)C(=O)OC 14994497 GAQVPNZQWIHBIW-CVDCTZTESA-N 444.620 2.610 0 50 IFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H](OCc2csc(C)n2)C1 170599088 ZOACDGPORQIKFI-RXVVDRJESA-N 426.542 2.798 0 50 IFAA CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C(C)=O)N4c5ccc(C)cc5C=C[C@@H]4[C@@H]3C2=O)cc1 245256514 QFOXYBRIWZFRPC-WZYRSQIMSA-N 430.460 2.899 0 50 IFAA COCCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCCO2)C[C@H]1C 252503482 VDKDZQUEIAPUKF-IFMALSPDSA-N 443.592 2.810 0 50 IFAA Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc4ccccc42)C1=O)CC3 779032434 FAPCGRXUURHRCA-WGDIFIGCSA-N 442.519 2.843 0 50 IFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(CC2=Cc3ccccc3OC2)CC1 2100556714 QFDOOWIOGSIFJV-UHFFFAOYSA-N 434.540 2.775 0 50 IFAA Cc1c(NC(=O)[C@H](C)N2CCCc3cc(CCN)ccc32)c(=O)n(-c2ccccc2)n1C 2325850934 LIABMOLWRZCFEB-SFHVURJKSA-N 433.556 2.765 0 50 IFAA CO[C@H](C(=O)N1CCC([S@](C)(=O)=NC(=O)[C@H]2CCC[C@H](C)C2)CC1)c1cnn(C)c1 2332239118 XIYDOPQAQIYABX-IOOCYUTQSA-N 438.594 2.549 0 50 IFAA COc1ccccc1-c1cc(C(=O)NC[C@@H]2COc3ccccc3O2)cc(-n2cnnn2)c1 11813724 NTISYFKYAGXHFV-LJQANCHMSA-N 443.463 2.908 0 50 IFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCN(C)C[C@@H]2C(C)C)c1 11816228 ZSTRAYGVVFPMEB-JOCHJYFZSA-N 443.588 2.887 0 50 IFAA O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 13465451 FEERXLCCEREQFW-FZKCQIBNSA-N 425.312 2.802 0 50 IFAA COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cccnc1)c(=O)n2-c1ccccc1 20220712 KOLHFWCBBHZHCU-UHFFFAOYSA-N 428.448 2.655 0 50 IFAA O=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 170599773 HFADDIHBYMWSNE-UHFFFAOYSA-N 443.382 2.693 0 50 IFAA CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(O[C@H]4CCCC[C@H]4O)cc3)ccc21 225440423 VROWYJDNUSLDEY-RTWAWAEBSA-N 430.526 2.943 0 50 IFAA CCOc1c(Br)cc(C(=O)NCc2ncccc2S(C)(=O)=O)cc1OC 225611178 LJXWYFOSLPKQBO-UHFFFAOYSA-N 443.319 2.585 0 50 IFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]16CCN(Cc1ccccc1)CC[C@]56[C@@H]2[C@@H]43 253616567 CKKYAHQBURBLEC-SBFAAXLPSA-N 438.531 2.685 0 50 IFAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[C@H](c4nc(C)no4)C3)cc2)cc1 1857798860 DFKHEWXIQIGEEF-INIZCTEOSA-N 442.497 2.817 0 50 IFAA COc1ccccc1OCc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 2764546 HDJZRXGBQYTBTB-UHFFFAOYSA-N 426.494 2.852 0 50 IFAA Cc1csc(SCC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)n1 12759387 ZCEYBGHROVQTMY-ZDUSSCGKSA-N 431.630 2.822 0 50 IFAA COCCCNC(=O)c1cn(C[C@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O 14956046 JILBBQMLBZDBJN-LJQANCHMSA-N 447.576 2.636 0 50 IFAA Cn1ccnc1[C@@H](O)C1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)CC1 19228593 HMTGCNFXAKJEFQ-IBGZPJMESA-N 442.589 2.701 0 50 IFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1ccc(OC(C)C)cc1)CC2 19744214 MZPFGNFPZDHDIZ-UHFFFAOYSA-N 439.556 2.938 0 50 IFAA CCCN1CCC(N2CCC(N3CCC(C(=O)NCc4cccnc4)CC3)CC2)CC1 20119072 QPIQEPNCLNOBEA-UHFFFAOYSA-N 427.637 2.749 0 50 IFAA CCc1ccc(OC[C@H](O)CN2CCN(C[C@@H](O)COc3ccc(CC)cc3)CC2)cc1 22942667 BOLVXGMIEUNXPG-DNQXCXABSA-N 442.600 2.609 0 50 IFAA CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(O[C@H]4CCCC[C@@H]4O)cc3)ccc21 170631709 VROWYJDNUSLDEY-SFTDATJTSA-N 430.526 2.943 0 50 IFAA Cc1nnc(-c2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)o1 740712461 QSALARIHBWGNJQ-UHFFFAOYSA-N 426.498 2.528 0 50 IFAA Cc1cc(C[C@@H]2CN(C(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)C[C@H]2O)on1 1704357382 RLTHOQZTLFSBFG-OXQOHEQNSA-N 431.920 2.551 0 50 IFAA Cc1ccn2ncc(C(=O)NC[C@H]3CCCN(C(=O)c4cnn5ccc(C)cc45)C3)c2c1 2325810104 PAAFAAZPCMJXAX-GOSISDBHSA-N 430.512 2.881 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2ccc(F)c3ncccc23)CC1=O 2325819989 XDCFFHNCOQOEHA-GDBMZVCRSA-N 441.484 2.789 0 50 IFAA CCOC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H]1C(=O)Nc1nc2ccccc2s1 2325850180 OJHPLVAGLCTWNN-KGLIPLIRSA-N 434.543 2.757 0 50 IFAA CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1893963 MICRODNJZKNSMX-LEWJYISDSA-N 436.508 2.988 0 50 IFAA Cc1csc(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)n1 9273679 STJAVCFSBPLMCP-UHFFFAOYSA-N 443.558 2.948 0 50 IFAA CCC[C@]1(C2CCN(C(=O)c3cccc(F)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 11783140 XHIVVLNTZSVKJR-AUSIDOKSSA-N 431.508 2.948 0 50 IFAA O=C(CC[C@H]1CCCN(C(=O)c2cnn3cccnc23)C1)NCc1ccc(F)c(F)c1 12026820 XCMJYDGBNVTZSL-OAHLLOKOSA-N 427.455 2.956 0 50 IFAA CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CN[C@H]1CCOC(C)(C)C1 14993779 ZYRCANUQBHWAHB-INIZCTEOSA-N 438.528 2.948 0 50 IFAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 15070069 CNMOOTOEQRAOAL-FQEVSTJZSA-N 439.965 2.959 0 50 IFAA CN(C)C(=O)c1cccc(NS(=O)(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1 328595994 MRACSAZTDIRMRW-IBGZPJMESA-N 431.514 2.541 0 50 IFAA C[C@@H]1CCc2nc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc3ccccc3)sc2C1 1323069371 XFINIKPWQULEDI-CZUORRHYSA-N 430.530 2.767 0 50 IFAA Cn1c(=O)n(C)c2cc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)ccc21 641915 WXCKQKJOHABGKO-OQLLNIDSSA-N 441.285 2.732 0 50 IFAA Cc1nc(C(=O)NC[C@H]2CCC3(CCN(Cc4cccc(OCCO)c4)CC3)O2)cs1 14879529 JLBAFJTVMLMLDP-HXUWFJFHSA-N 445.585 2.766 0 50 IFAA O=C1Nc2c(-c3ccccc3)cnn2C[C@@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 16625703 KOCZDCUJCQQHBQ-NRFANRHFSA-N 429.524 2.853 0 50 IFAA COc1cc(O)c(C(=O)CCC(=O)O)cc1-c1cc(C(=O)CCC(=O)O)c(O)cc1OC 71770737 UPLCMDHVVRCWBK-UHFFFAOYSA-N 446.408 2.877 0 50 IFAA Cc1ccc(S(=O)(=O)N2C[C@H]3[C@@H]2[C@H]2C=C[C@H]3[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 247998221 CIJNUGYMNLRZJV-HJEMKOJISA-N 434.517 2.606 0 50 IFAA O=C(CC[C@H]1N=C(O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@@H](c2ccccc2)C1 252537273 KVSHUPBYHDXQIB-WOJBJXKFSA-N 425.460 2.831 0 50 IFAA O=C(C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)N1CCN(c2ccccn2)CC1 263617944 QNWPGVJQEUNQBR-UHFFFAOYSA-N 445.571 2.568 0 50 IFAA COc1ccc([C@@H](C(=O)O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1OC 1529145360 HVRSLUZYZARJTP-ZDUSSCGKSA-N 432.424 2.522 0 50 IFAA CCOC(=O)c1c(NC(=O)Cn2ncnc2-c2ccccc2Cl)sc(C(N)=O)c1C 2325726330 ATYGGUYUNKKDJD-UHFFFAOYSA-N 447.904 2.883 0 50 IFAA CCCN1CCC[C@H](C(=O)N2C[C@@H]3C[C@H](C2)CS(=O)(=NC(=O)c2ccc(C)o2)C3)C1 2332238351 OARWMHKWBXGFNJ-JFCSOBAPSA-N 435.590 2.797 0 50 IFAA CO[C@@H]1CCC[C@@H]1C(=O)N1CCC([S@](C)(=O)=NC(=O)c2cnn(C(C)(C)C)c2)CC1 2332239185 ZQFWCGMDPULTFA-LHQHVEIWSA-N 438.594 2.682 0 50 IFAA O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1ccccc1)c1ccccn1 1128556 XEPRICLMQFTMDI-UHFFFAOYSA-N 437.521 2.950 0 50 IFAA COc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCC(C)C)CC3=O)cc2)c1 4196736 LMBNBFSQOZZNQY-QGZVFWFLSA-N 439.512 2.838 0 50 IFAA CCc1cc(C(=O)NCc2cc(NC(=O)Cc3ccccc3)cc(C(=O)OC)c2)n(C)n1 12053276 NCNGCOTZCVTHCY-UHFFFAOYSA-N 434.496 2.880 0 50 IFAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)C1CC(C)(C)NC(C)(C)C1 12466993 IGIAOOGFSIDIQN-FQEVSTJZSA-N 444.620 2.543 0 50 IFAA CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCOC)cc1 13152807 BCTZOMOTXNNNQW-HXUWFJFHSA-N 441.484 2.906 0 50 IFAA CCN(Cc1ccccc1)Cc1cc(OC)ccc1OC[C@@H](O)CN1CCC(O)CC1 15064073 HODHGCDOSWMVGT-QHCPKHFHSA-N 428.573 2.914 0 50 IFAA CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCCC(=O)OC(C)C)CC1 168023895 OZGCOCDJOSUQAM-LJQANCHMSA-N 439.940 2.613 0 50 IFAA O=C1C[C@@H](Cc2ccc(NC(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)cc2)C(=O)N1 170635444 IPJULFGCTBZTNR-RDTXWAMCSA-N 425.872 2.537 0 50 IFAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 225808845 QSVNYBQVWHEDAZ-KRWDZBQOSA-N 438.557 2.740 0 50 IFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(Cc1ccc3c(c1)CCO3)C2 1857687844 HXYZBXJIYGQRLC-OTNCWRBYSA-N 428.573 2.878 0 50 IFAA C[C@H]1CC[C@@H](S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 1875355020 XPTSDFWLWQLDQS-WMLDXEAASA-N 444.395 2.524 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CC1=O 2325819406 DFBNMNUPRDLBSX-UKRRQHHQSA-N 438.452 2.703 0 50 IFAA O=C(c1cc2ccccc2o1)N1CC[C@H]2CCN(C(=O)C3(C(=O)NC4CC4)CC3)C[C@@H]2C1 2325825006 YZZRYIXVJOWCMY-WMZOPIPTSA-N 435.524 2.802 0 50 IFAA C[S@](=O)(=NC(=O)[C@@H]1CCC[C@@H](F)C1)C1CCN(C(=O)Cn2ccc(C(F)F)n2)CC1 2332239062 UXNPAMKMORBVMY-PWRODJMOSA-N 448.511 2.964 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccccc1 625764 KWWOHFKDLUFRGW-PHJXOXRPSA-N 434.517 2.807 0 50 IFAA CCN1C(=O)N[C@@H](c2ccccc2I)C(C(=O)OCCOC)=C1C 2062508 WIGZMOMYISHOEW-HNNXBMFYSA-N 444.269 2.841 0 50 IFAA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCN(C(=O)c2ccco2)CC1 2781490 YTYLPLIFYMBQAB-UHFFFAOYSA-N 449.227 2.550 0 50 IFAA COc1ccc2c(c1)O[C@H](C)CN(CC(=O)N(C)CCc1nc3cc(F)ccc3[nH]1)C2 12242391 IBIDMDXOSUHESY-OAHLLOKOSA-N 426.492 2.995 0 50 IFAA CCc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)on1 12575448 KCVIPSIRSRZWCK-HSZRJFAPSA-N 432.524 2.911 0 50 IFAA CC(=O)N1CCC[C@H]1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14538242 PFIMKUDILQVTCA-PKTZIBPZSA-N 441.572 2.586 0 50 IFAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCc1ccc(C(F)(F)F)cc1)C2 14541816 IHJKRQPHHSGNNT-SFHVURJKSA-N 449.521 2.957 0 50 IFAA C[C@@H](CCc1ccccc1)NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 263618395 STLFIMGSQKDUKH-SFHVURJKSA-N 430.508 2.793 0 50 IFAA Cc1ccc(-c2[nH]nc(NC(=O)Nc3ccc(F)c(S(=O)(=O)NC4CC4)c3)c2C)o1 408518837 DQFPIOMECCCMDD-UHFFFAOYSA-N 433.465 3.510 0 50 IFAA C[C@@H]1CC[C@H](S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 1875355018 XPTSDFWLWQLDQS-PBHICJAKSA-N 444.395 2.524 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4Cc5ccccc5C5(CC5)C4)ccc3C2=O)C(=O)N1 2325898261 YPKSOCNPSKZTNJ-HXUWFJFHSA-N 444.491 2.527 0 50 IFAA COc1ccc(S(=O)(=O)N=[S@@](C)(=O)C2CCN(C(=O)C34CC(C3)C4)CC2)c(C)c1 2332238506 BBFVWTZDNHGERW-YIEQBRCPSA-N 440.587 2.581 0 50 IFAA COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)N[C@H](CCSC)C(=O)O)cc1 8666475 KUVSQUVCMQLLFT-GXYBQNOFSA-N 428.510 2.789 0 50 IFAA biogenic Cc1cc(C)cc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)c1 8673295 QWXWIZSDBLRJQU-UHFFFAOYSA-N 433.555 2.631 0 50 IFAA CCn1c(SCC(=O)N2CCCCC2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 11404458 NZSMMOIGOPVIPJ-OAHLLOKOSA-N 431.562 2.902 0 50 IFAA COCCCn1c(CN(C)Cc2c(C)nn(C)c2C)cnc1S(=O)(=O)C1CCCC1 11664872 CJTLLUQPBWMAIC-UHFFFAOYSA-N 437.610 2.618 0 50 IFAA CCC[C@@]1(C2CCN(C(=O)Cc3c(C)noc3C)CC2)NC(=O)N(Cc2ccco2)C1=O 11788783 PRYKLAFIPUVQPG-QHCPKHFHSA-N 442.516 2.956 0 50 IFAA COc1cccc(CCNc2ncnc3sc(C(=O)NCCNC(C)=O)c(C)c23)c1 14984386 WZGKMOJDNUJPLG-UHFFFAOYSA-N 427.530 2.529 0 50 IFAA Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)cc1Cl 17096252 UVQOCQAQHZWVQO-UHFFFAOYSA-N 428.963 2.652 0 50 IFAA O=C(NCCN1CCOCC1)c1ccc2c(=O)n(CCC3=CCCCC3)c(S)nc2c1 20135840 YMEVOAOCNUMWQS-UHFFFAOYSA-N 442.585 2.638 0 50 IFAA Cc1ccc(CN2CCc3c(c(C(=O)N4CCOCC4)nn3Cc3ccccn3)C2)c(C)c1 20204367 LYMCMQORVZMPMK-UHFFFAOYSA-N 445.567 2.974 0 50 IFAA Cc1nn(C)cc1CN1CCN(C(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)CC1 20607242 VRANMZQQXLEUNJ-UHFFFAOYSA-N 426.468 2.654 0 50 IFAA Cn1ccc(N2CCC[C@H](NC(=O)C3(c4ccc(Br)cc4)CCC3)C2=O)n1 460447114 XBHKGVISEXJVPF-INIZCTEOSA-N 431.334 2.916 0 50 IFAA CNS(=O)(=O)c1cc(C(=O)N2CCc3c(Br)cc(C)cc3C2)c(C)o1 490036630 RIQNVXVAVQUWMY-UHFFFAOYSA-N 427.320 2.766 0 50 IFAA CC(C)NC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 1875259831 DDPLMECWPFRFIB-MGPUTAFESA-N 443.525 2.588 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1ccc(F)cc1 8399143 AOLOQUAMUKJSGU-BXBHGGAKSA-N 428.510 2.999 0 50 IFAA O=C(Nc1cnn(CC(=O)N2CCC[C@H](OCc3ccccn3)C2)c1)c1ccccc1F 11785497 XWMFMZIQIBHBHS-IBGZPJMESA-N 437.475 2.877 0 50 IFAA COC[C@H]1CCCCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 12149684 USDNIOXSVMPXSC-ATIYNZHBSA-N 449.551 2.739 0 50 IFAA COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NCCn3cccn3)c21 12152079 YHKJCMARUAOJQW-UHFFFAOYSA-N 438.532 2.828 0 50 IFAA Cc1ccccc1[C@@]1(CC(=O)N(C)C2CCN(C)CC2)CC(=O)N(Cc2ccncc2)C1=O 12247721 AOAPGZIYAHZHRA-AREMUKBSSA-N 448.567 2.530 0 50 IFAA CCOC(=O)c1sc(NC(=S)NCCCN2CCCC2=O)c(C(=O)OCC)c1C 16361153 NAMFMUXGMSIGRU-UHFFFAOYSA-N 441.575 2.709 0 50 IFAA O=C(c1cc(S(=O)(=O)N2CCOCC2)cs1)N1CCC(Cc2ccccc2)CC1 16649254 SSCXHHGHMMJLGU-UHFFFAOYSA-N 434.583 2.864 0 50 IFAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)c2c1 20177478 SMWGUPOTXSQWEL-SFHVURJKSA-N 427.545 2.710 0 50 IFAA COCC(=O)Nc1cnn(-c2ccc(C(=O)N3CCN(C)[C@@H](c4ccccc4)C3)cc2)c1 20992722 PWFKBCKIHLCBAF-JOCHJYFZSA-N 433.512 2.586 0 50 IFAA CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1 143683854 PDGKHKMBHVFCMG-UHFFFAOYSA-N 446.559 2.725 0 50 IFAA in-vitro CCOc1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 169752424 VKHCTKZIEAPACE-UHFFFAOYSA-N 436.443 2.832 0 50 IFAA COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(Br)c(O)c2)c1 170610512 CPNXYKHEYVTOKD-UHFFFAOYSA-N 444.259 2.529 0 50 IFAA C[C@H](NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(S(C)(=O)=O)c(F)c1 170640639 IKFUBWXGKKFPRJ-BTDLBPIBSA-N 426.416 2.878 0 50 IFAA O=C(CC[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O)NCCc1ccc(O)cc1 252550549 SSAPRFVHKODNEE-OAQYLSRUSA-N 434.496 2.680 0 50 IFAA CN(C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(C(=O)C(C)(C)C)CC2)C1=O 299763097 GQDHWLADYCGUTI-RUZDIDTESA-N 442.604 2.756 0 50 IFAA O=S(=O)(c1cnc2nc(O)nc(O)c2c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 437203164 RPNQVYZCAWVQNU-KRWDZBQOSA-N 425.470 2.833 0 50 IFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 805257058 OTTRGAHXQPCOST-NMMYMHLASA-N 445.519 2.986 0 50 IFAA CCOC(=O)[C@@H](NC(=O)[C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1875306236 YDXICBDXBACRHR-WBVHZDCISA-N 440.924 2.944 0 50 IFAA COc1cc(C(=O)N[C@H](C)C(=O)Nc2ncc(C[C@H]3CCOC3)s2)cc(OC)c1OC 2325854762 SYIQHEFHJNMGDY-CHWSQXEVSA-N 449.529 2.505 0 50 IFAA C[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)NS(=O)(=O)c1ccc(Cl)s1 2735471 GYNBNKKPOMXNPB-ZETCQYMHSA-N 435.401 2.762 0 50 IFAA CC[C@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1c(=O)[nH]c2ccccc2c1=O 9487355 BCGDBAMRJVSOMS-LJQANCHMSA-N 426.904 2.643 0 50 IFAA CCOC(=O)N1CCC(NC(=O)c2sc3ncnc(NC[C@H]4CCCO4)c3c2C)CC1 11966124 MCENZKJADTZQLJ-OAHLLOKOSA-N 447.561 2.941 0 50 IFAA COc1ccc(F)c(CN2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1 11976809 UFQAZDRZKASSBP-IBGZPJMESA-N 430.524 2.820 0 50 IFAA O=C(NCc1ccccc1F)c1ccc(N2CCC(N[C@H]3CCCCNC3=O)CC2)cc1 12217743 SNASRZYSYBRWBU-QHCPKHFHSA-N 438.547 2.983 0 50 IFAA CCOC(=O)C(=O)Nc1sc(C(=O)NCCc2ccccc2)c(C)c1C(=O)OCC 16426295 IREZMTGWMMMRAI-UHFFFAOYSA-N 432.498 2.707 0 50 IFAA O=C(CCCC(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 19648026 ADAKNPVXJKBRJF-UHFFFAOYSA-N 448.611 2.846 0 50 IFAA O=C(NCCNc1ccc2ccccc2n1)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 469725847 QHQXPEYTIALOPV-IBGZPJMESA-N 442.523 3.192 0 50 IFAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 670453107 XOFLJZPGGOBOLZ-QGZVFWFLSA-N 430.448 2.532 0 50 IFAA O=C1CCCc2cc(S(=O)(=O)NC(=O)Cc3ccc(Br)cc3)ccc2N1 787000297 HQKZCFKPRVDICE-UHFFFAOYSA-N 437.315 2.772 0 50 IFAA Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCC4(CC3)C[C@](C)(O)[C@@H](O)CO4)cc12 1704298392 GBNXPZDXGOIRJK-UGKGYDQZSA-N 441.553 2.902 0 50 IFAA Cc1nn(C)cc1CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 2325825316 MDPYMRXAWFDHPA-LPHOPBHVSA-N 447.461 2.962 0 50 IFAA O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 2885362 GYMOHLLSORTKSX-ZDUSSCGKSA-N 427.320 2.759 0 50 IFAA COC(=O)c1ccc(CNC(=O)CC[C@@]2(Cc3ccc(F)c(OC)c3)CCC(=O)N2)cc1 12185004 OHYZCUJUIVUBCR-DEOSSOPVSA-N 442.487 2.909 0 50 IFAA O=C(c1cncs1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H]1CCCO1 19813030 HNDOIVBGLMOPBM-FQEVSTJZSA-N 431.558 2.676 0 50 IFAA CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 19880895 GVINMWYBWOGXFB-SFTDATJTSA-N 436.512 2.776 0 50 IFAA COCc1ccc(C(=O)N2CCOc3c(cc(-c4ccc(OC)nn4)cc3OC)C2)o1 20774606 XDMMUYRZXNJOCB-UHFFFAOYSA-N 425.441 2.935 0 50 IFAA CCOC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)OC(C)(C)C 114846063 YSLASSAESKIUFG-ZDUSSCGKSA-N 441.424 2.914 0 50 IFAA C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 221951719 ORNKGMGINKCJMU-SJTCNUARSA-N 440.949 2.782 0 50 IFAA Cn1cc(C(=O)OCc2ccc(Br)cc2COC(=O)c2cnn(C)c2)cn1 225466085 WGXRDSULKUQKGU-UHFFFAOYSA-N 433.262 2.630 0 50 IFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2ccccc2OC(F)F)C1 495246554 GEUCVVNFQNJCCY-AIKDOCFDSA-N 445.510 2.675 0 50 IFAA C[C@@]1(c2cccc(-c3noc([C@@H]4CC(c5cc(F)ccc5F)=NO4)n3)c2)NC(=O)NC1=O 761936744 WKRBZMSORJPACW-KKSFZXQISA-N 439.378 2.935 0 50 IFAA C[C@@]1(c2cccc(CNC(=O)N3CCC(c4nc5ccccc5o4)CC3)c2)NC(=O)NC1=O 1318202995 OGULXYZAWOFISA-DEOSSOPVSA-N 447.495 2.972 0 50 IFAA O=C(c1cc(O)nc2ccccc12)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857715599 ZDWGNGFXLCCCIK-ZCYQVOJMSA-N 447.535 2.979 0 50 IFAA CC(=O)N1CCSc2ccc(NS(=O)(=O)c3ccc4c(c3)C[C@@H](C(=O)O)CO4)cc21 1875257127 QLKBYIOOCBLHCF-CQSZACIVSA-N 448.522 2.582 0 50 IFAA O=C(O)Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)s1 1875365092 XWCRYGPTNMLPQH-UHFFFAOYSA-N 434.539 2.621 0 50 IFAA CNC(=O)c1nn(C)cc1NC(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 2325828970 XAMOTTWNLAIOPZ-NRFANRHFSA-N 438.576 2.934 0 50 IFAA NS(=O)(=O)c1ccc(N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 1446754 INIBAVFANZKYGZ-HNNXBMFYSA-N 436.748 2.801 0 50 IFAA COC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 14538317 DCBWURWTCFEVHQ-FQEVSTJZSA-N 436.556 2.958 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)N2C[C@H]3CCC[C@H]2C3)(c2ccccc2OC)C1=O 104331659 MUVQXUQKSNIKCT-LLJLJFOGSA-N 428.529 2.520 0 50 IFAA Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 145814743 VCGRFBXVSFAGGA-UHFFFAOYSA-N 445.472 2.634 0 50 IFAA investigational C[C@@H](C(=O)N1CCc2ccccc21)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 170593426 UIQYFFPKDCLTGM-SQJMNOBHSA-N 446.595 2.773 0 50 IFAA CC(C)N(CCNS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)C 240333505 FDRGRBVDYWWUNQ-HXUWFJFHSA-N 425.595 2.683 0 50 IFAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cnc4c(c3)c(C)nn4C)C2)cc1 261404540 ZSSHUQKGPAOEEL-SFHVURJKSA-N 427.574 2.776 0 50 IFAA COc1ccc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@H]2CCS(=O)(=O)C2)cc1OC 334158658 ZRSJBLRRPXTWBW-KRWDZBQOSA-N 441.509 2.601 0 50 IFAA CN(C)CCn1ccc(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1 477600957 XECQXSKECQBTMI-OAHLLOKOSA-N 425.320 2.679 0 50 IFAA Cc1cnc(CN2C[C@@H]3CN(C(=O)CSCc4ccccc4Cl)C[C@@]3(CO)C2)[nH]1 1772810190 IYALUQFUGSLLOE-DYESRHJHSA-N 434.993 2.558 0 50 IFAA O=C(c1ccccc1)N1CC[C@@H]2C[C@H](N3CCOCC3)CC[C@@]2(C(=O)NC2CCC2)C1 1857700458 UYWXCHZUJYKQKW-QFZWGZQFSA-N 425.573 2.689 0 50 IFAA O=C([C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1)N1CCC(c2cc[nH]n2)CC1 1857737055 VISXELBDLKMLEV-KRWDZBQOSA-N 436.541 2.611 0 50 IFAA NC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)C1 1875331867 XNTQLCFNYQHOQX-QESAQDPVSA-N 434.540 2.882 0 50 IFAA O=C(CN1C(=O)N[C@@](c2cccs2)(C2CC2)C1=O)NC1(COc2ccccc2)CC1 1875346889 DEROWYZPIQFKMR-JOCHJYFZSA-N 425.510 2.633 0 50 IFAA CCOCCO[C@H](C)C(=O)N[C@@H](c1cn(-c2cnccc2C(=O)O)nn1)C1CCCCC1 1875356376 UVKVOUKPJMAAGL-FOIQADDNSA-N 445.520 2.540 0 50 IFAA COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)cc1OC 880132 LHNOACUSZZXWBV-UHFFFAOYSA-N 430.482 2.809 0 50 IFAA COc1cc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(OC)c1OC 893000 QIXDXOOPXMVAKN-UHFFFAOYSA-N 448.903 2.729 0 50 IFAA Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N(C)Cc3cnn(C)c3C)c2n1 2781721 XXTVRTFNHVUORB-UHFFFAOYSA-N 446.437 2.771 0 50 IFAA CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2c(cc1Br)OCO2 8443450 CBUOVBLYVDWZGQ-CQSZACIVSA-N 429.292 2.712 0 50 IFAA COC(=O)c1cc(CNC(=O)Cn2nc(C)nc2C)cc(NC(=O)C2CCCCC2)c1 12038819 JTYBNXWZQKITEP-UHFFFAOYSA-N 427.505 2.517 0 50 IFAA COC(=O)CCCC(=O)N1CCC(n2nccc2NC(=O)[C@H](OC)c2ccccc2)CC1 12455261 AEVITCLHXBUSMR-JOCHJYFZSA-N 442.516 2.716 0 50 IFAA CCn1nc(C)cc1C(=O)N1CC(=O)N(CC(C)C)C[C@H](OCc2ccccc2F)C1 14533469 BPDXTODPSIZKIO-IBGZPJMESA-N 430.524 2.876 0 50 IFAA O=C(NC[C@H]1CCC2(CCN(Cc3ccc4nsnc4c3)CC2)O1)C1CCOCC1 14888906 GFJATGMDYYYFLA-GOSISDBHSA-N 430.574 2.748 0 50 IFAA Cc1ccc(-c2nnc(SCC(=O)Nc3nc(C)c(C(=O)N(C)C)s3)n2C)cc1 17097078 LZFSVRSWYVHNLJ-UHFFFAOYSA-N 430.559 2.988 0 50 IFAA CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17100616 KQQPTGAMJWINKN-PMACEKPBSA-N 436.574 2.609 0 50 IFAA O=C(/C=C/c1ccccn1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20908682 XJNUEAOLGQGLFU-GLJAUCNMSA-N 434.540 2.632 0 50 IFAA O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 23119700 CLNSSYSGSRQJEL-JTHBVZDNSA-N 427.932 2.716 0 50 IFAA NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C(F)(F)F)cc1 225497555 SURHQXOOSCSLFD-OAHLLOKOSA-N 427.810 2.649 0 50 IFAA O=C(NS(=O)(=O)C1=Cc2ccccc2CC1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 746424709 MZFGDDMNRPLQSG-HXUWFJFHSA-N 436.533 2.962 0 50 IFAA Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CC(=O)N1CCN(c2ncccn2)CC1 1875261426 AOHISWGMBHZDGV-SFHVURJKSA-N 445.999 2.777 0 50 IFAA Cc1cc(O)cc(C(=O)N2CC3(CCC3)C[C@H]2CNC(=O)c2cc3nn[nH]c3cc2F)c1 1875360246 CJHVWMOHRKXNTG-HNNXBMFYSA-N 437.475 2.926 0 50 IFAA N=c1[nH]n(C(=O)c2cccc(C(=O)n3[nH]c(=N)c4cc(F)ccc43)c2)c2ccc(F)cc12 2325870250 PDKOBYWUQWLPPP-UHFFFAOYSA-N 432.390 2.866 0 50 IFAA O=S(=O)(NC[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1)c1ccccc1 4343201 JACCPGIJNMWQBX-QFIPXVFZSA-N 442.562 2.953 0 50 IFAA COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccncc2)cc1 6244750 MHFKEBLZEYIVMT-UHFFFAOYSA-N 439.537 2.640 0 50 IFAA CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC 6821419 DNMISKGVNCVSCQ-ORYQWCPZSA-N 442.512 2.934 0 50 IFAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1 11817962 PBIVLDKADGOLPZ-IBGZPJMESA-N 434.544 2.546 0 50 IFAA O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N[C@H]1CCN(Cc2ccccc2)C1 11820347 WORYKARJQBKPCQ-NRFANRHFSA-N 449.599 2.922 0 50 IFAA Cc1cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc(N2CCCCC2)n1 65364178 RUOPJEPAUYKHEE-UHFFFAOYSA-N 435.981 2.940 0 50 IFAA O=C(Nc1ccc(-c2csnn2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 116575411 AXVCSUDWZILVFM-UHFFFAOYSA-N 428.539 2.688 0 50 IFAA Cc1ccc(-n2ncc(C(=O)NCc3nc4nc(C)cc(O)n4n3)c2C(F)(F)F)cc1 170601752 PAQAWZQTCOGQSF-UHFFFAOYSA-N 431.378 2.581 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nc3c(C)cccc3o2)C1 1857687222 RYPSAICSOKFZFC-OHUGHZGNSA-N 440.588 2.965 0 50 IFAA CC(C)N1CCN(CCCC(=O)Nc2ccc(Oc3ccccc3C(N)=O)nc2)CC1 1875349781 MLHPQWRWLSIMMU-UHFFFAOYSA-N 425.533 2.718 0 50 IFAA COC(=O)[C@@H](CNC(=O)[C@@H](O)c1ccccc1I)CC1CCCC1 2325823247 LITLIWJPPCYRCD-CJNGLKHVSA-N 445.297 2.810 0 50 IFAA Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1C 4197362 LKFWENGQKZGIHS-UHFFFAOYSA-N 445.589 2.668 0 50 IFAA COc1ccc(-c2nc(C[S@](=O)CC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)cc1 6578082 MMTDYDNWJBDSJB-WJOKGBTCSA-N 442.493 2.952 0 50 IFAA COc1cccc(CNCc2cc(NS(C)(=O)=O)cc(C(=O)N3CCCCC3)c2)c1 11785302 RUPYRIPLXRANNW-UHFFFAOYSA-N 431.558 2.983 0 50 IFAA Cn1c(=O)n(C)c2cc(CNCc3c(C(=O)N4CCCCC4)nc4sccn34)ccc21 19957501 YHLZILOALJZTQF-UHFFFAOYSA-N 438.557 2.502 0 50 IFAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(OCc3ccccc3)cc2)CN1C(C)C 23360194 OWACGOURLLOLAO-UPVQGACJSA-N 425.573 2.969 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccncc1 23380026 VPZAKHQRVFRPHC-XMMPIXPASA-N 428.536 2.720 0 50 IFAA CCOc1ccccc1CN1CCN(Cc2ccc(N3CCNC3=O)cc2)C[C@@H]1CCO 76837367 XZVGROKWGSROOG-QHCPKHFHSA-N 438.572 2.684 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)C[C@H](O)C4)CC2)cc1C 170618101 MGMQUITYGWOQSS-OAQYLSRUSA-N 428.554 2.802 0 50 IFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1cc(NC(C)C)ncn1)C2 1857705153 VGIGDCYLJJETCF-SELNLUPBSA-N 431.581 2.557 0 50 IFAA Cc1cccc(OCC(=O)N[C@H](CNC(=O)C[C@H]2CCCNC(=O)C2)C2CCCCC2)c1 1875344202 HDHJBNAOQUPMHC-SIKLNZKXSA-N 443.588 2.862 0 50 IFAA COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)C1CN(C(=O)OCc2ccccc2)C1 1875358330 RFZJNNCHMGYTQV-QHCPKHFHSA-N 428.460 2.685 0 50 IFAA COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(OC)cc3)n2C)c1 1122761 MAMYMLAFRSQENJ-UHFFFAOYSA-N 442.497 2.920 0 50 IFAA Cc1ncsc1CCn1nc(C(=O)NC2CC2)c2c1CCN(C(=O)c1ccccc1)C2 14531411 PHZCAGOANMKPNY-UHFFFAOYSA-N 435.553 2.981 0 50 IFAA CC(C)N1CCC(N2CCN(Cc3cnn(-c4cccc(F)c4)c3)C[C@@H]2CCO)CC1 20453756 OBXHTDVNGCVLDW-DEOSSOPVSA-N 429.584 2.753 0 50 IFAA CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc([C@H]4CCCO4)s3)n2)cc1 71283596 MUUSLZVWHUSCKU-OAHLLOKOSA-N 429.527 2.974 0 50 IFAA Cc1cc(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)n2nc(C(F)(F)F)nc2n1 170596617 RHPVWXHIIHEOCM-AWEZNQCLSA-N 432.406 2.719 0 50 IFAA Cn1ccnc1C(=O)[C@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C 261361177 XNXPFPGYTGDSCF-QGZVFWFLSA-N 428.489 2.861 0 50 IFAA COc1cccc([C@H]2[C@H](C(=O)NCCN3CCc4ccccc4C3=O)CC(=O)N2C2CC2)c1 466642420 TXMYVMZFYLKUCL-VWNXMTODSA-N 447.535 2.562 0 50 IFAA CC[C@@H]1Oc2cc([C@H](C)NS(=O)(=O)CCc3ccc4c(c3)CCO4)ccc2NC1=O 477597642 FBJDJVIQAZAGMP-LIRRHRJNSA-N 430.526 2.954 0 50 IFAA COc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cc1CN(C)C 1529173436 VWNKVZBUKIOTLL-DNQXCXABSA-N 430.545 2.708 0 50 IFAA O=C([C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1)N1CCC(c2cc[nH]n2)CC1 1857737056 VISXELBDLKMLEV-QGZVFWFLSA-N 436.541 2.611 0 50 IFAA C[C@H](O)c1cn(CC(=O)Nc2ccc(Cc3nnc4ccc(C(F)(F)F)cn34)cc2)nn1 2325740743 RYVHXDQOEOCGDW-LBPRGKRZSA-N 445.405 2.622 0 50 IFAA Cc1ccc(N2C(=O)CC[C@H](C(=O)N3Cc4[nH]c(=N)nc(O)c4C3)[C@@H]2c2cccs2)cc1 2325825757 AEIDGSOYMQCGHJ-MGPUTAFESA-N 449.536 2.991 0 50 IFAA Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3ccc(F)cc3Cl)c(=O)n(C)c2n1 12445586 RPSWPAMROUGIML-UHFFFAOYSA-N 444.894 2.871 0 50 IFAA O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(Cc1cn[nH]c1)CC2 14752904 HOAHUTBVEIJBOS-UHFFFAOYSA-N 433.541 2.599 0 50 IFAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CN2C(=O)CSC2=O)cc1 19336355 ZMEFBADLAVEONH-MRXNPFEDSA-N 428.514 2.706 0 50 IFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2cccc(C(C)=O)c2)C2=C1C(=O)OC2 169758164 YZSATJXVBITRPN-JOCHJYFZSA-N 449.463 2.804 0 50 IFAA C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 252539453 NZXOREWKYIFEQI-KJBBBAAKSA-N 440.632 2.879 0 50 IFAA C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C 253417221 NWIYNSDJAWCBFM-WBVHZDCISA-N 440.562 2.636 0 50 IFAA NC(=O)c1ncc(C(F)(F)F)cc1-n1nc2c(Cl)cc(C(F)(F)F)cn2c1=O 261494907 RTJWBKZKYUIXRK-UHFFFAOYSA-N 425.676 2.670 0 50 IFAA CC(C)[C@@H](C(=O)O)N1CC[C@@H](NC(=O)CN(Cc2ccccc2)Cc2ccccc2)C1=O 479005880 IAYHNIATANGMPT-GGAORHGYSA-N 437.540 2.515 0 50 IFAA C[C@@H](OC(=O)C1(Cc2ccc(Cl)cc2)CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 771170510 IHERJOORLOPAEB-CYBMUJFWSA-N 436.917 2.881 0 50 IFAA CCN1C(=O)c2ccc(C(=O)N3CCc4ccc(OC)cc4[C@H](C)C3)cc2S1(=O)=O 2325701000 BKAHVWGXKDVWDD-CQSZACIVSA-N 428.510 2.662 0 50 IFAA C[S@](=O)(=NC(=O)[C@H]1CCC[C@@H](F)C1)C1CCN(C(=O)Cn2ccc(C(F)F)n2)CC1 2332239063 UXNPAMKMORBVMY-YNMHVIMOSA-N 448.511 2.964 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1cccs1 687955 SUIMLJWQUUJXNR-RXBGNRNISA-N 443.550 2.519 0 50 IFAA COc1ccc(CNS(=O)(=O)c2ccc(OC)c(I)c2)cc1 16448890 ASOCIPYKULPAEL-UHFFFAOYSA-N 433.267 2.787 0 50 IFAA CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N2CCN(Cc3cccs3)CC2)c1 20906940 SBIQPCBSOFZWCL-UHFFFAOYSA-N 444.601 2.662 0 50 IFAA COc1cccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)c1OC 67620894 BCBOUSNWWTYDTQ-UHFFFAOYSA-N 436.516 2.567 0 50 IFAA O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1cc2cc(Br)ccc2[nH]1 170596937 QBPDALYOLULUNK-UHFFFAOYSA-N 430.258 2.705 0 50 IFAA CS(=O)(=O)N1CCCN(C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)CC1 466116360 KJUVKJXSYJZAMG-UHFFFAOYSA-N 439.484 2.934 0 50 IFAA Cc1ccc(N2CCN(C(=O)Nc3cccc(CCN4CCN(C)CC4)c3)CC2=O)cc1 1875257766 WBMKMELNVSFJAX-UHFFFAOYSA-N 435.572 2.666 0 50 IFAA CCCN1C[C@H](C(=O)N=[S@@](C)(=O)C2CCN(C(=O)C[C@@H]3CC=CCC3)CC2)CC1=O 2332238462 AFNJVEPTVMLKJL-YUWQIPRYSA-N 437.606 2.607 0 50 IFAA O=C(c1cn(C2CCN(C3CCN(CCc4ccccc4)CC3)CC2)nn1)N1CCCC1 15068798 KOSJUEIZFGBZRH-UHFFFAOYSA-N 436.604 2.858 0 50 IFAA COc1ccc(CNCc2c(F)cccc2F)cc1OC[C@@H](O)CN1CCCN(C)CC1 20999364 HZZZUUSWEOBDGY-IBGZPJMESA-N 449.542 2.640 0 50 IFAA CC[C@H](C)C(=O)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1 23129645 CYHWKDZTWLHOEJ-GHTZIAJQSA-N 443.563 2.714 0 50 IFAA C[C@@H]1CN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@@H](C)O1 138496092 XUFWPLOWDHKXCA-RULNRJAQSA-N 446.139 2.953 0 50 IFAA CC(C)(C)OC(=O)N1CCN(c2nc(NS(=O)(=O)c3ccccc3F)ns2)CC1 225398248 NEBOGCHLHFTHEG-UHFFFAOYSA-N 443.526 2.535 0 50 IFAA O=C(c1nnn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCN(c2ccccc2F)CC1 263615050 AHOQBXFUGNXTDK-FQEVSTJZSA-N 425.439 2.790 0 50 IFAA CCN1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC 299783349 ZRNGVOOQQAICKJ-HNNXBMFYSA-N 426.546 2.751 0 50 IFAA COc1ccc(-c2cc(=NC(=O)Cc3ccccc3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158030 JDRUMYPZPNZFFH-GOSISDBHSA-N 425.510 2.521 0 50 IFAA O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1cc2c(nc1O)CCC[C@@H]2O 1451374261 BWEQEDZRWMQYII-UHOSZYNNSA-N 435.446 2.917 0 50 IFAA COc1cc(Oc2cc(C(=O)N3CCC[C@](C)(C(N)=O)C3)ccc2OC)ccc1CN 1857692623 MWCUCDKIAFOAKE-QHCPKHFHSA-N 427.501 2.682 0 50 IFAA CCc1nc(-c2cccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)c2)no1 1875328523 WUEBGGAKSHBGOR-UHFFFAOYSA-N 440.525 2.782 0 50 IFAA C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)Nc1cnn2cccnc12 2325818511 GQOOPEYYTDVOBQ-TZMCWYRMSA-N 428.290 2.835 0 50 IFAA CCN(Cc1c[nH]c2ccccc12)C(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325896426 YICSQJJOQHZYKS-NRFANRHFSA-N 444.491 2.591 0 50 IFAA CCOC(=O)c1sc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C(=O)OCC)c1C 846883 KFUVWUVAWALCTM-UHFFFAOYSA-N 444.465 2.645 0 50 IFAA C[C@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(-c3nc4c5cnn(C)c5ncn4n3)cc2N1 2802916 IWCFUHRISADRMF-OIBJUYFYSA-N 427.341 2.817 0 50 IFAA C[C@H]1CCc2c(sc(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)c2C(N)=O)C1 17097051 MZJKNLUNFCMKCI-AWEZNQCLSA-N 430.549 2.872 0 50 IFAA CCCc1cc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)no1 20450300 TZIOHGODYDBYKP-LJQANCHMSA-N 440.544 2.778 0 50 IFAA CCCCOCCOCCOCCS(=O)(=O)Nc1cnn(Cc2ccccc2)c1 170595643 METPDFIBSYGRFU-UHFFFAOYSA-N 425.551 2.523 0 50 IFAA CN(CC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F)S(C)(=O)=O 170651310 JRZHZQNDGNOTKP-KRWDZBQOSA-N 429.311 2.685 0 50 IFAA O=C(CCC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)N[C@@H]1CCC[C@H]1Cc1ccco1 252693105 AUDRWADRXKYILE-RCLSDMTESA-N 437.540 2.695 0 50 IFAA Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 328592436 IGBKSJJXRWZNJR-MISYRCLQSA-N 430.574 2.673 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc([C@H]3Cc4ccccc4C(=O)O3)n2)cc1 986579 JQCSNXGCIZXKDN-LJQANCHMSA-N 438.465 2.690 0 50 IFAA Cc1ccc(CNC(=O)Cn2cc3c(n2)-c2c(oc(C(=O)N4CCOCC4)c2C)CC3)cc1 8588870 VKYRDIVKTFZHFH-UHFFFAOYSA-N 448.523 2.647 0 50 IFAA CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1c(C)n(C)c3ccc(O)cc13)CC2 14539578 FPAYFWHEIQCKHJ-UHFFFAOYSA-N 435.528 2.747 0 50 IFAA COC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 14747030 MGKDKRXIEXDZKB-HXUWFJFHSA-N 436.556 2.958 0 50 IFAA COCCCn1c(CN(C)C[C@@H]2CCCCN2C)cnc1S(=O)(=O)C1CCCC1 20256114 SJOXLSYDRHQVRM-SFHVURJKSA-N 426.627 2.552 0 50 IFAA Cc1ccc(CNC(=O)c2nnc(CN[C@H]3CCCC[C@@H]3N3CCOCC3)s2)cc1 170607321 CANHCYARAAUXHR-OALUTQOASA-N 429.590 2.510 0 50 IFAA CC[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 239653996 BMCAAMLCQWKRLN-HZPDHXFCSA-N 430.526 2.898 0 50 IFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 250641347 FGBQNOJFUILOMV-FPOVZHCZSA-N 445.560 2.617 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)c1cc2n(n1)CCCC2=O 1875287830 BNPBLEPXHGQEOE-AWEZNQCLSA-N 442.483 2.581 0 50 IFAA O=C(CSCc1cn(-c2ccccc2C(=O)O)nn1)NC[C@@H]1C[C@@H]2CCCC[C@H]2O1 1875355198 CQDZZGJIZROBSF-URLQWDBASA-N 430.530 2.663 0 50 IFAA O=C(CCC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12)Nc1nncs1 2356155235 CRJHMLDIMWPRMT-UHFFFAOYSA-N 425.514 2.829 0 50 IFAA CN(Cc1ccc2nccnc2c1)C(=O)CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 12150375 OPRGRDHBHYGXER-VWLOTQADSA-N 446.507 2.989 0 50 IFAA CCc1nccn1CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 12445111 DGWRUXIZIAMRQD-HXUWFJFHSA-N 425.577 2.657 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)c(Cl)c1 14155455 IRNFMFQQWVLHSK-UHFFFAOYSA-N 439.940 2.590 0 50 IFAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NC[C@@H]3CCCO3)CN(Cc3ccc(O)cc3)C2)cn1 14536703 AHADZASHLHHQDP-XJUOHMSHSA-N 439.556 2.908 0 50 IFAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1c[nH]c3ccccc13)CC2 14741049 IPYQBVLCTXTINF-UHFFFAOYSA-N 437.544 2.985 0 50 IFAA COc1ccccc1CCNC(=O)[C@@H]1C[C@H](n2cnnn2)CN1Cc1ccc(C(C)C)cc1 14967096 SJIWAGPBLUJPJV-GOTSBHOMSA-N 448.571 2.980 0 50 IFAA Cc1c(C(=O)N2CCC(C(N)=O)CC2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 14989157 UJYIMYSXIQYIDL-VNQPRFMTSA-N 425.558 2.961 0 50 IFAA CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)cc(OC)c2OCC(=O)O)NC(=S)N1 16448541 BBCTUISNVOHJDS-INIZCTEOSA-N 442.921 2.948 0 50 IFAA COc1cc(C)c(-c2nc(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(C)o2)cc1C 20149574 NZDZLUPCDHIENO-GOSISDBHSA-N 433.574 2.580 0 50 IFAA COc1ccc(CN(C)Cc2ccc(C)o2)cc1OC[C@H](O)CN1CCCN(C)CC1 20541341 YWTBWPNFDKRTRW-OAQYLSRUSA-N 431.577 2.606 0 50 IFAA COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCN2CCOCC2)cc1 33636896 FLGWHHBJZHIROP-LTGZKZEYSA-N 443.931 2.568 0 50 IFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1 59759602 BZOKNSWEUBCUBW-GOSISDBHSA-N 430.549 2.708 0 50 IFAA O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 245240743 SGGNUWMCYCOYSD-SPEDKVCISA-N 449.507 2.721 0 50 IFAA O=C(Nc1nccs1)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 253370313 PGUJAMLMEJPJMF-BMFZPTHFSA-N 449.554 2.875 0 50 IFAA O=C(NCCOCC(F)F)N1CC[C@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1 952895025 XIZQVVNDPSGCSF-INIZCTEOSA-N 435.353 2.629 0 50 IFAA CN(C)c1noc([C@H]2CCCN2C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)n1 2325730970 HTYPRGNERZWLJQ-CQSZACIVSA-N 442.545 2.540 0 50 IFAA NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)CC1 752784 RFXXBWKZFOKANN-UHFFFAOYSA-N 435.459 2.601 0 50 IFAA O=C(c1cc[n+]([O-])cc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 11879782 MXMJCGQQPRVKGI-VWLOTQADSA-N 435.568 2.821 0 50 IFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCC[C@H]2CCO)c1 11933789 UPBSWCRRGRPSKK-SFHVURJKSA-N 430.545 2.852 0 50 IFAA CCn1cc(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)cn1 12612742 DNKXDWOTCGLAJN-UHFFFAOYSA-N 433.984 2.891 0 50 IFAA CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)[C@@H]2COc3ccccc3C2)CC1=O 14533098 JDYLOOBSIMBIJG-FCHUYYIVSA-N 437.540 2.545 0 50 IFAA CCOC(=O)C1CCN(C2CCN(Cc3nc(COc4ccccc4)no3)CC2)CC1 14961004 RSIITRWHMRODCH-UHFFFAOYSA-N 428.533 2.888 0 50 IFAA C[C@@H](NC(=O)Cn1cc(NC(=O)COc2ccccc2)cn1)c1cnn(-c2ccccc2)c1 14995906 HNIGLFMWZYYUMY-GOSISDBHSA-N 444.495 2.964 0 50 IFAA CCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 16447855 QZKZZPKRXNEZTQ-UHFFFAOYSA-N 445.541 2.824 0 50 IFAA CC(C)Cc1ncn(CC(=O)N(C)C2CCCCC2)c(=O)c1I 241277658 LHZMILXRGZESRA-UHFFFAOYSA-N 431.318 2.838 0 50 IFAA CN1Cc2ccccc2C[C@@H]1CN(C)S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 952869320 ZVKBWBRGOZHAIG-OAQYLSRUSA-N 427.570 2.881 0 50 IFAA CN1CCOC2(CCN(C(=O)c3ccccc3S(=O)(=O)Cc3ccccc3)CC2)C1 1772804976 VVYLPHVJQAGJPI-UHFFFAOYSA-N 428.554 2.597 0 50 IFAA O=S(=O)(Nc1cc(-c2nc(O)n[nH]2)cc(C(F)(F)F)c1)c1cnn(C2CCC2)c1 1875323105 XDKIXQADRRWRBL-UHFFFAOYSA-N 428.396 2.918 0 50 IFAA COc1ccc(S(=O)(=O)Nc2ccccc2)cc1NS(=O)(=O)N1CCC[C@H](C)C1 2325736867 JGWYKOQXJCSHSQ-HNNXBMFYSA-N 439.559 2.885 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccccc1 759200 ZAJLSEUBSNVJEO-LUDQZLGDSA-N 434.517 2.807 0 50 IFAA O=C(O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc(C(=O)O)c1 2849671 AIPAGWUFZCNDMG-UHFFFAOYSA-N 445.387 2.527 0 50 IFAA CC(C)[C@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 5062880 ZAPMIDFJTRZCNZ-PMACEKPBSA-N 443.569 2.841 0 50 IFAA Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(I)cc2)cc1 10039259 DDBVCNCENWYZJU-GFCCVEGCSA-N 444.294 2.905 0 50 IFAA COc1cc(CNCCc2ccccc2C)ccc1OC[C@H](O)CN1CCC(O)CC1 12385872 CURMYKMEBMAXHJ-HSZRJFAPSA-N 428.573 2.532 0 50 IFAA COCc1ccc(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@@H](OCc3ccccc3)C2)o1 14532611 OMRXAXDPYFNBET-JOCHJYFZSA-N 449.507 2.891 0 50 IFAA Cn1cc(/C=C/C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cn1 20775528 HJRCZXCKCCVNRX-JBOJMBJVSA-N 449.599 2.797 0 50 IFAA O=C(COc1ccccc1)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1C[C@H]3CC[C@H]1C3)C2 107017577 PSXPKFIDVNVQDF-KKUMJFAQSA-N 425.510 2.917 0 50 IFAA CN1CCCC[C@@H]1C(=O)NC[C@@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 299762088 RHVQUPIUFCVEJG-GHTZIAJQSA-N 428.554 2.661 0 50 IFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCCc3nnc4ccccn34)CCSCC2)o1 1776111675 KUCQASPEQBYDSB-UHFFFAOYSA-N 442.541 2.600 0 50 IFAA O=C(NCc1nc(-c2cccnc2)n[nH]1)c1csc(-c2cnn(-c3ccccc3)n2)n1 1875258399 VGFXAPFEODTWLB-UHFFFAOYSA-N 429.469 2.501 0 50 IFAA CC[C@](C)(O)c1cn(Cc2cccc(C(=O)N[C@@H](C(=O)O)c3ccc(F)c(C)c3)c2)nn1 1875354008 OAQMJBWQALXXHN-OFNKIYASSA-N 440.475 2.947 0 50 IFAA Cn1cnnc1CC1CCN(C(=O)c2cc3cc(I)ccc3[nH]2)CC1 2325875163 IUBGEINEZYVDLU-UHFFFAOYSA-N 449.296 2.996 0 50 IFAA COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1Cl 784332 WXSNSXJYODVAPK-UHFFFAOYSA-N 426.878 2.525 0 50 IFAA COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 2881778 QZAJUPNSHJMIKD-QGZVFWFLSA-N 446.525 2.830 0 50 IFAA COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2995417 CCLZTZSONSFBSK-UHFFFAOYSA-N 442.497 2.920 0 50 IFAA COc1ccccc1N1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 4199020 MSVHJJQJXXXSOO-UHFFFAOYSA-N 433.549 2.810 0 50 IFAA COc1ccccc1[C@]1(CC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)CC(=O)N(C)C1=O 12205417 IHCDOGCRNNKROT-NIYFSFCBSA-N 448.519 2.833 0 50 IFAA COc1cccc(CN2CCc3c(c(C(=O)N[C@@H](C)c4ccccc4)nn3CCO)C2)c1 14535860 ZAQKEVMYZYGPNL-SFHVURJKSA-N 434.540 2.933 0 50 IFAA O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccccc1O 19842866 JAZYYPMQMVVBAX-UHFFFAOYSA-N 425.514 2.536 0 50 IFAA O=C1CS[C@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N1c1cccc(Cl)c1 22298975 RZYQIDGBHPZRFI-OAQYLSRUSA-N 429.929 2.909 0 50 IFAA COc1ccc(OC)c(N(CC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)c1 1174648 WSISKQBMHLEPJA-UHFFFAOYSA-N 428.894 2.771 0 50 IFAA CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2ccc(OC)cc2)n1)c1ccccc1Cl 12413246 FQIVGRFJCWFWOQ-SFHVURJKSA-N 443.891 2.813 0 50 IFAA O=C(Cn1nc(C(F)F)c(Br)c1C1CC1)N1N=CC[C@@]1(O)C(F)(F)F 13960182 RAPYNLFGGJDRSE-GFCCVEGCSA-N 431.159 2.930 0 50 IFAA CCN1CCN(C(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 16347271 PKYSNDYYFOPHLI-SFHVURJKSA-N 431.558 2.798 0 50 IFAA O=C(NCc1cccc(Br)c1)NC1(C(=O)NC[C@H]2CCCCN2)CCCC1 236782389 FJCMJCDEJRKRRC-QGZVFWFLSA-N 437.382 2.819 0 50 IFAA C[C@H](NC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1ccc2c(c1)OCCO2 241897178 TWIMERKDCUROMU-CWFSZBLJSA-N 447.491 2.909 0 50 IFAA COC(=O)[C@@H](CNC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1)Oc1ccc(F)cc1 759929116 UOVGKIRNVXAVTQ-APWZRJJASA-N 429.366 2.789 0 50 IFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 805257060 OTTRGAHXQPCOST-ROKPMTFOSA-N 445.519 2.986 0 50 IFAA O=C(/C=C/c1ccc2c(c1)OCO2)NCCCCNC(=O)/C=C/c1ccc2c(c1)OCO2 2086271 XOJDPDUKYKQGLY-NXZHAISVSA-N 436.464 2.883 0 50 IFAA COC(=O)c1cc(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)ccc1Cl 2856078 PTSNVALSTMYJII-UHFFFAOYSA-N 426.878 2.540 0 50 IFAA COc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1 2871361 NOWFVFAMMOMOLZ-GOSISDBHSA-N 431.558 2.507 0 50 IFAA COCCNC(=O)c1cnn2c1N[C@H](c1ccc(OC)c(OC)c1)C[C@@H]2C(F)(F)F 8926502 HEYBVVWRKFIYPB-XJKSGUPXSA-N 428.411 2.937 0 50 IFAA Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccccn1 13494704 AHUGSRSMOUCUGP-UHFFFAOYSA-N 425.510 2.564 0 50 IFAA COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN([C@@H](C)CSC)CC2 14540045 OAWUTYLKJFKPKS-KRWDZBQOSA-N 431.602 2.651 0 50 IFAA O=C(c1ccccc1F)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23358486 ULTCKAFSQYGLIX-LJQANCHMSA-N 425.504 2.977 0 50 IFAA CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)[nH]1 225416238 XCAICDXDKFOJKO-OLZOCXBDSA-N 437.566 2.895 0 50 IFAA COC(=O)C1(C(=O)N2CC[C@@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)CC1 952891609 AUHNSYVWIZQYKV-GOSISDBHSA-N 427.354 2.861 0 50 IFAA CS(=O)(=O)c1cc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)c(Cl)s1 1475482560 HLZVSHJGVISDPH-CQSZACIVSA-N 445.971 2.970 0 50 IFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)s1 1506415597 PPEXTDBHMSRQIQ-LSDHHAIUSA-N 431.539 2.990 0 50 IFAA COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H](C)C(=O)NCc1ccco1 1875254935 YUXYVHSMXULWPK-GFCCVEGCSA-N 436.390 2.927 0 50 IFAA CC[C@@H]1c2ccccc2CN1C(=O)Nc1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896684 DLBWPODTDRWUBU-WOJBJXKFSA-N 432.480 2.946 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1cc(C(F)(F)F)ccc1Cl 2813794 QTLDETMJSDRDIN-UHFFFAOYSA-N 449.838 2.862 0 50 IFAA COCCCNC(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C1CC1 12131297 DUZDZWWQYBAEPP-UHFFFAOYSA-N 437.500 2.990 0 50 IFAA COc1cccc(CO[C@@H]2CN(C(=O)Cc3cccnc3)CC(=O)N(CC(C)C)C2)c1 14534744 FKFQNVPEWKCEBK-QFIPXVFZSA-N 425.529 2.545 0 50 IFAA Cc1cnc(-n2ncc(C(=O)NCCN3CCOCC3)c2C2CC2)nc1-c1cccs1 20168254 HMCBUQAHLABNKP-UHFFFAOYSA-N 438.557 2.639 0 50 IFAA COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(CC1CCC1)[C@@H](C)CO 170601841 QKUJQDKFQCPFNT-KRWDZBQOSA-N 438.590 2.883 0 50 IFAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)CC1=O 1875263775 OOZBCSDVQCGHGQ-BJZITVGISA-N 441.557 2.778 0 50 IFAA O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCCc1nc(C(F)(F)F)no1 2325824235 VOCKDKXVUJCBJZ-UHFFFAOYSA-N 449.414 2.886 0 50 IFAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 2332237329 JDGXZKLSGHMTSY-MOPGFXCFSA-N 430.595 2.970 0 50 IFAA O=C1C[C@H](c2ccccc2)NCCCN(C(=O)CN2CCc3ccccc3C2)CCCCN1 2356163147 ZMBQYQUCPJLTNE-RUZDIDTESA-N 448.611 2.894 0 50 IFAA O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1 1059475 QQXUXJPOZYBWBX-GOSISDBHSA-N 431.533 2.575 0 50 IFAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 11933362 RSDNVJPXOIQMOT-IBGZPJMESA-N 448.567 2.866 0 50 IFAA O=C(CC[C@@H]1CCCN(C(=O)CN2CCCCCC2)C1)N1CCN(c2ccccn2)CC1 12094319 WVZGCZOGPAQJRX-QFIPXVFZSA-N 441.620 2.625 0 50 IFAA CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nn1 12455072 OMSNMIJCSALMKX-IBGZPJMESA-N 427.549 2.640 0 50 IFAA CN(CCOc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 55132272 UWCGAWCPBZEFQN-HXUWFJFHSA-N 449.473 2.933 0 50 IFAA CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NC(=O)NCc2ccco2)[C@@H]2CCCC[C@H]12 241587904 OYBLANNHSRRSGN-ORFRNNEJSA-N 432.565 2.789 0 50 IFAA O=C1N[C@]2(C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)C(=O)N1CN1CCC(c2nnc3ccccn23)CC1 799127576 CEPYNXXPNRDTIV-PIHRHBHTSA-N 434.544 2.613 0 50 IFAA CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4cccc(Br)c4)nn23)C1 820312983 NWXNLBZFHKLVKJ-NSHDSACASA-N 442.364 2.754 0 50 IFAA Cc1c(C)n(Cc2ccccn2)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 9422270 MDQJBVQLHMBYSS-UHFFFAOYSA-N 437.463 2.935 0 50 IFAA COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(Cl)c1OC 14987738 KFUYKECETQSVBD-AWEZNQCLSA-N 435.956 2.840 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCCCc3ccccc3)cc2OC)CC1 20451024 SHMBHYGNTOTIPJ-XMMPIXPASA-N 441.616 2.795 0 50 IFAA Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1C 20775080 STJYJDIHYUHFIX-UNMCSNQZSA-N 425.577 2.803 0 50 IFAA COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2 20996333 MTVFDCINFSEEGX-SFHVURJKSA-N 437.947 2.979 0 50 IFAA C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(-n3ccnc3)c(F)c1)C2=O 303059802 XCOISHTYDVRACY-CMJOXMDJSA-N 441.507 2.764 0 50 IFAA CC[C@H]1CCc2nc(NC(=O)C(=O)N3CCN([C@H](C)c4cccnc4)CC3)sc2C1 434598669 VISAOYJXLRKUEA-CVEARBPZSA-N 427.574 2.897 0 50 IFAA COCCCn1c(C)cc(O)c([C@H](CC(=O)OC)c2c[nH]nc2-c2ccccc2)c1=O 824396582 SPGFKUOPTJIVAZ-QGZVFWFLSA-N 425.485 2.984 0 50 IFAA COc1ccc2cc(S(=O)(=O)N(Cc3cccnc3)C[C@@H]3CCC(=O)N3)ccc2c1 952982106 ZJNWLSJRXHHNSM-IBGZPJMESA-N 425.510 2.713 0 50 IFAA CC(=O)N1CCN(c2cccc(NC(=O)N[C@@H](C)[C@@H](O)c3ccc(F)c(F)c3)c2)CC1 1875265088 MHQPXSLYKCNVPB-LHSJRXKWSA-N 432.471 2.877 0 50 IFAA COCCCN[C@@H](C)[C@@H](O)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1875316296 HCCKEJZHMVZLHO-VWKPWSFCSA-N 431.508 2.631 0 50 IFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)Cc2cccc3cccnc23)CC1=O 2325819478 GBXANQJQGWMXHM-UZLBHIALSA-N 437.521 2.791 0 50 IFAA O=C1c2ccccc2C(=O)N1C[C@@H]1CN(C(=O)C2(c3cccc(F)c3F)CC2)CCO1 2325828849 SUFLKLRQKVKRFR-AWEZNQCLSA-N 426.419 2.520 0 50 IFAA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 8396099 DJJJYBSLHSBJDE-MRXNPFEDSA-N 441.278 2.774 0 50 IFAA CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2c(cc1Br)OCO2 8443449 CBUOVBLYVDWZGQ-AWEZNQCLSA-N 429.292 2.712 0 50 IFAA COc1cc(CNCc2cc(C(C)C)no2)ccc1OC[C@@H](O)CN1CCSCC1 12091995 ZHBNVPYDFRFDCD-SFHVURJKSA-N 435.590 2.885 0 50 IFAA O=C(C[C@@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CCC[C@H](CO)C1 12245767 ZGHMUISCBYQPBB-CPJSRVTESA-N 426.557 2.885 0 50 IFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)O)CC2)cc1 17099028 WXCCJTKEOOTJCM-VDGAXYAQSA-N 434.558 2.700 0 50 IFAA CSc1ncc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 20387396 SMPLUGVNMYOXFB-HXUWFJFHSA-N 441.601 2.709 0 50 IFAA CN1CCN(C(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)CC1 22238522 PSZLSBAXDXTRAD-UHFFFAOYSA-N 442.368 2.963 0 50 IFAA COc1ccccc1N1C[C@@H](C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC1=O 195529582 QHQQLPBEIDVEQD-RXVVDRJESA-N 437.540 2.585 0 50 IFAA Cc1cccc2c(=O)n(CCC(=O)N(CCC(=O)O)Cc3ccc(F)c(F)c3)cnc12 237748042 SOGJCJZWMYMKMZ-UHFFFAOYSA-N 429.423 2.877 0 50 IFAA CSCC[C@H](C(=O)N1CCO[C@H](c2ccccc2)C1)n1c(O)nc2ccccc2c1=O 888090452 AGHSABVYKYKRHD-UXHICEINSA-N 439.537 2.996 0 50 IFAA CC[C@@H](Cc1cn(C[C@@H](C)NC(=O)Cc2ccc(F)cc2Br)nn1)C(=O)O 1875355190 CNTJURUGQUBCQH-NEPJUHHUSA-N 441.301 2.580 0 50 IFAA O=C(N[C@@H]1CCCN(C(=O)c2c[nH]nc2C2CCCCC2)C1)[C@H]1CCC2(CCOCC2)O1 2325829964 XCAUQWDWKFARRE-UYAOXDASSA-N 444.576 2.906 0 50 IFAA COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 954849 CYYNOOKHCRKFDV-UHFFFAOYSA-N 433.511 2.578 0 50 IFAA COc1cc(CN2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc2c1OCO2 12080311 IKZRJCLGCBJLJF-KRWDZBQOSA-N 427.505 2.525 0 50 IFAA O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1cccnc1 12374793 HTJCLEVCLFPZGN-OAHLLOKOSA-N 448.279 2.725 0 50 IFAA COc1cc(C(=O)N2CCCN(C=O)CC2)ccc1OC1CCN(C2CCCC2)CC1 12455387 CSXKNYGQGKEIPN-UHFFFAOYSA-N 429.561 2.785 0 50 IFAA O=C1CN(C(=O)c2cn[nH]c2)C[C@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14747351 NUXQZJZGQITZEY-JOCHJYFZSA-N 436.487 2.661 0 50 IFAA CSc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1C(=O)N1CCOCC1 16647427 ZQIXWVYXIRNARM-UHFFFAOYSA-N 428.482 2.960 0 50 IFAA CCS(=O)(=O)Nc1cccc(N2CCC(NCCCn3nnc4ccccc43)CC2)c1 55244649 HQISIOYEUHZSBC-UHFFFAOYSA-N 442.589 2.842 0 50 IFAA O=C(Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O)NCCc1ccc(Cl)cc1 169752526 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O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9226877 DQPRUUTYNMSENA-UHFFFAOYSA-N 429.498 2.798 0 50 IFAA CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)CCc2nc3ccccc3[nH]2)CC1=O 14532799 WEGHFQZDGLMORT-HXUWFJFHSA-N 449.555 2.803 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cc(F)cc(F)c1)C2 14534682 BPWLWBFXKYAPHJ-IBGZPJMESA-N 432.515 2.937 0 50 IFAA CCN1CCC(N2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)CC1 15073320 WGLKWQWGRKCITB-UHFFFAOYSA-N 425.533 2.985 0 50 IFAA Cc1nc(CCNCc2c(C(=O)N(C)C)nc3ccc(Cl)cn23)nc2c1CCCC2 19111162 PXSPOMHUVYNQAC-UHFFFAOYSA-N 426.952 2.999 0 50 IFAA COc1cc(OC)c(OC)cc1CN1CCN(Cc2cc(OC)c3c(c2)OCO3)CC1 19781738 DVGMYJLDWVVHDT-UHFFFAOYSA-N 430.501 2.768 0 50 IFAA COc1ccc(CCNC(=O)C[C@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 252552894 VEUMCIOHQGZIIT-OAQYLSRUSA-N 434.496 2.593 0 50 IFAA COC(=O)c1cn(-c2ccc3c(c2)nc(CO)n3CCc2ccccc2)cc2c(=O)[nH]nc1-2 253415002 ZINSMULKOJRFBC-UHFFFAOYSA-N 443.463 2.537 0 50 IFAA O=C(NCC1CC1)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 263619100 WXILUKYLGQZLHV-IBGZPJMESA-N 443.935 2.581 0 50 IFAA CC(C)(NC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1)c1ccccc1 408524969 DLEVSBBIDXYZSN-RNWQKYJXSA-N 440.565 2.742 0 50 IFAA O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H](c1ccccc1)N1CCc2ccccc21 446329199 GCCMANBCTLDTHI-PQMPYMPHSA-N 441.531 2.714 0 50 IFAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1CCc2nc[nH]c2[C@H]1c1ccncc1 1857689554 GXFFLHWGWAYHRO-HXUWFJFHSA-N 435.553 2.806 0 50 IFAA COCc1nnc(N2C[C@H](C(=O)NCc3cc(Cl)ccc3OC(C)C)CC2=O)s1 1857738443 HVPVHTIFXVIWGB-CYBMUJFWSA-N 438.937 2.794 0 50 IFAA COc1cccc(Cn2cccc(NC(=O)[C@H](N)c3cccc(C(F)(F)F)c3)c2=O)n1 1875340561 IQRPXGDJXNUGHD-GOSISDBHSA-N 432.402 2.958 0 50 IFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@H]2CC(=O)N(c3nccs3)C2)CC1 2356163608 KPWMPNQRZUHNCV-INIZCTEOSA-N 427.526 2.595 0 50 IFAA NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 904341 RIDRPGXQZVVDIL-UHFFFAOYSA-N 439.493 2.557 0 50 IFAA O=C1NCCN(Cc2ccccc2F)[C@@H]1CC(=O)N1CCOc2ccc(Cl)cc2C1 11813254 ZPONQFDKKQMRDT-LJQANCHMSA-N 431.895 2.591 0 50 IFAA O=C(CCn1cnc2ccccc21)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 12317853 MAQCKONMUIJWOI-MRXNPFEDSA-N 432.571 2.705 0 50 IFAA COc1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)O)cc(OC)c1OC 16676232 PJBGWQSVHAEITC-AUWJEWJLSA-N 447.440 2.594 0 50 IFAA O=C(NCCc1nnc2n1CCN(Cc1ccc3cccnc3c1)CC2)c1ccc(F)cc1 20783720 ZTUOZIXLZLDVAN-UHFFFAOYSA-N 444.514 2.996 0 50 IFAA Cc1ccc(C2(c3noc(CN4CCN([C@H]5CCS(=O)(=O)C5)CC4)n3)CCCC2)cc1 23373683 QTTGJBFGYYZGFT-FQEVSTJZSA-N 444.601 2.543 0 50 IFAA COc1ccccc1N1CCN(C(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1 61721720 HATWMZPNLIDFFF-UHFFFAOYSA-N 438.915 2.921 0 50 IFAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(-n3ccc(C)n3)nn2)CC1 72437488 UTCHQWTXVMYIRP-UHFFFAOYSA-N 427.896 2.987 0 50 IFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H](OCc2csc(C)n2)C1 170599086 ZOACDGPORQIKFI-GHTZIAJQSA-N 426.542 2.798 0 50 IFAA COc1cc(OC)c(OC)cc1CN[C@H]1CC[C@@H](n2cc(C(=O)NC(C)C)nn2)CC1 244678463 IDNKBJZRHYJNNF-CALCHBBNSA-N 431.537 2.716 0 50 IFAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 248169023 ULILOMLGLZPIPS-FUHIMQAGSA-N 436.574 2.571 0 50 IFAA COC(=O)c1nc(NC(=O)CCN2C=Cc3cc(OC)c(OC)cc3CC2=O)sc1C 253410260 NBSZTELXBDLLFH-UHFFFAOYSA-N 445.497 2.640 0 50 IFAA biogenic COc1ccc(-n2cccn2)c(CN2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)c1 1529181858 QSLVMGQDFABXSL-DNQXCXABSA-N 439.512 2.833 0 50 IFAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CCCN(CC1CC1)CCCNC2=O 1940195467 FTKJTWINOWOWCS-IBGZPJMESA-N 429.609 2.528 0 50 IFAA Cc1nccc2c(S(=O)(=O)NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cccc12 2325819513 HPURNXSTQDAYSV-FUHWJXTLSA-N 437.521 2.958 0 50 IFAA Cc1cccc(C(C)(C)CNC(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)c1 2325898110 SLBSJLDOEHUTAD-FQEVSTJZSA-N 448.523 2.855 0 50 IFAA COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)cc1OC 844471 ZJDBVOMWHHMFEY-FQEVSTJZSA-N 426.425 2.804 0 50 IFAA COC(=O)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 14996303 SUEZCSAYQPEORH-UHFFFAOYSA-N 431.496 2.988 0 50 IFAA O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 19902775 HDCVTGMPTXIULD-JOCHJYFZSA-N 427.570 2.574 0 50 IFAA COCC(=O)Nc1cnn(-c2ccc(C(=O)N3CCN(C)[C@H](c4ccccc4)C3)cc2)c1 20992726 PWFKBCKIHLCBAF-QFIPXVFZSA-N 433.512 2.586 0 50 IFAA CCc1ccc(CN(C)Cc2cnc(S(=O)(=O)CCOC)n2Cc2ccccc2)nc1 55211911 QOEJCPMOWIAMJU-UHFFFAOYSA-N 442.585 2.941 0 50 IFAA CN1C[C@H](CNC(=O)CN2C(=O)COc3cc(Br)ccc32)Cc2ccccc21 170602413 FIJLXKUYQLMJMM-AWEZNQCLSA-N 444.329 2.599 0 50 IFAA COC1CCN(C(=O)NC[C@@H](NC(=O)N2CCC(OC)CC2)[C@@H](C)c2ccccc2)CC1 225829225 MIZYQKAFJUCSOU-PGRDOPGGSA-N 446.592 2.800 0 50 IFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(C)o2)CC(=O)N(CCc2ccccc2)C1 299795038 LQBPRXSNPGSANU-HSZRJFAPSA-N 441.572 2.729 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC(NC(=O)C2CC2)CC1 475460511 GVSAKXSJZINTKE-UHFFFAOYSA-N 447.601 2.691 0 50 IFAA CN1CCN(c2ccccc2CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1321554053 UOUCYJWOWGBTPF-UHFFFAOYSA-N 447.988 2.715 0 50 IFAA CCc1nc(C)cc(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 1857666897 ODYVDGNRDYELOP-FQEVSTJZSA-N 428.508 2.762 0 50 IFAA CC[C@H](NC(=O)[C@H](NC(=O)C1CCCC1)[C@H](C)O)[C@H](O)c1ccc(C(F)(F)F)cc1 1875258138 BGBWUQTVTQJHDV-DUOKCRBOSA-N 430.467 2.689 0 50 IFAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 1940196945 GVWMFQSOTZREQH-UHFFFAOYSA-N 438.915 2.975 0 50 IFAA C[C@@H]1CCCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H](C1)CS(=O)(=NC(=O)[C@@]1(F)CCOC1)C2 2332238323 LDNSQROSRBCTOV-JQDIVOBZSA-N 428.570 2.804 0 50 IFAA COc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OC 857918 RXMMSAYQQKTEOS-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA O=C(Nc1cnn(CC(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c1)c1ccccc1F 11785878 VPOOHZPCKMMSQU-IBGZPJMESA-N 437.475 2.877 0 50 IFAA CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@]12C(=O)N(C)c1ccccc12 15016871 KHFTVYPLENXFQP-XMMPIXPASA-N 430.464 2.569 0 50 IFAA c1ccc(N2CCN(Cc3nnc4sc(-c5ccc6c(c5)OCCO6)nn34)CC2)cc1 65362865 KDFSAEHFDPINLV-UHFFFAOYSA-N 434.525 2.946 0 50 IFAA O=C(O)[C@H]1CC2(CCSCC2)CN1C(=O)[C@@H]1Cc2cc(Br)cnc2C1 2325877217 MPAMENIAHALVJQ-IUODEOHRSA-N 425.348 2.758 0 50 IFAA CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(I)cc1 705220 UNYRCQYKEAODQZ-CHWSQXEVSA-N 432.258 2.600 0 50 IFAA Cc1c(C(=O)N2CCN(c3ccccc3O)CC2)sc2ncnc(N[C@@H]3CCOC3)c12 12190274 MOIXYIJYAXZCKW-OAHLLOKOSA-N 439.541 2.869 0 50 IFAA COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cccc3cccnc13)CC2 14884877 KQNNUVJIKMXBQR-HXUWFJFHSA-N 436.560 2.734 0 50 IFAA CCC(=O)[C@@H]1CCCN(Cc2cnc(S(=O)(=O)CCOC)n2Cc2ccccc2)C1 15073573 DKOSAOSGOWRZLU-LJQANCHMSA-N 433.574 2.543 0 50 IFAA CSc1ncc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1 23368769 QQSOMGKOUKOWPN-LJQANCHMSA-N 440.617 2.935 0 50 IFAA COc1cc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc(OC)c1 38528697 DQDASFJOUALNLM-UHFFFAOYSA-N 426.521 2.838 0 50 IFAA COc1ccc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)c(OC)c1 82230687 WNDMYFBWCUTGLN-UHFFFAOYSA-N 437.504 2.650 0 50 IFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1 170676629 CXYNONVFACWLAY-ZDUSSCGKSA-N 429.464 2.760 0 50 IFAA COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)ccc1OC 209311681 RTRXCFVUOVPMQV-XLIONFOSSA-N 430.505 2.672 0 50 IFAA CCN1CCN(CCOc2ccc(CN3CCC[C@]4(CC3)CN(C)C(=O)O4)cc2)CC1 823116361 CEFSYMVVVUVPPW-DEOSSOPVSA-N 430.593 2.510 0 50 IFAA O=C(CN1CCCC1=O)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857688922 MGQVSFJYLPJXPN-NRFANRHFSA-N 441.572 2.624 0 50 IFAA C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC([S@@](C)(=O)=NC(=O)c3ccc4nonc4c3)CC2)[C@H]1C 2332238639 GFVUORNONMOQGP-WQCHHINASA-N 448.545 2.511 0 50 IFAA O=C(COc1ccc(Cl)cc1Cl)OCCNC1=NS(=O)(=O)c2ccccc21 2995637 BPYLNEDFACXPLO-UHFFFAOYSA-N 429.281 2.654 0 50 IFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCCc3cccnc3)cc2)CC1 11938250 CEGBNEDEMLOSBW-UHFFFAOYSA-N 425.529 2.851 0 50 IFAA CN(C(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)C1CCOCC1 12582637 HLZWZSCPUHAHRU-XMMPIXPASA-N 435.568 2.646 0 50 IFAA O=S(=O)(c1cccc(Cl)c1)c1nnn2c1nc(N1CCOCC1)c1sccc12 20922267 IVYGCCAQEONGJR-UHFFFAOYSA-N 435.918 2.662 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2sccc2C)CC3)cc1 20999871 AFXLDHYCAAHZMR-UHFFFAOYSA-N 425.558 2.687 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)CC1 55226481 MOBOEDSOHFDGLQ-GOSISDBHSA-N 433.549 2.810 0 50 IFAA C[C@H]1CCCC[C@@H]1NC(=O)C[C@H]1CS(=O)(=O)C[C@H]1CC(=O)N[C@H]1CCCC[C@H]1C 238899988 HNRQDGHEHSFNCZ-ROMHJBHXSA-N 426.623 2.817 0 50 IFAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5OC)CC4)c3CO2)cc1 263615266 BNIZBGSIPXXHJI-JOCHJYFZSA-N 449.511 2.529 0 50 IFAA O=C(C[C@H]1CCCCCN1S(=O)(=O)c1cnc2nc(O)nc(O)c2c1)c1ccccc1 467086532 SJARJPYLIDRQSR-OAHLLOKOSA-N 442.497 2.642 0 50 IFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3cccc([C@]4(C)NC(=O)NC4=O)c3)[nH]c2c1 1330905132 XYHORHJOFCMZJE-CYFREDJKSA-N 446.511 2.973 0 50 IFAA CCCCCc1nnc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccn4)C[C@]34C=C[C@H]2O4)s1 1529139282 OMSNUQMCTQAJNG-OQYZPLRDSA-N 439.541 2.587 0 50 IFAA O=C(N=c1cc2n([nH]1)CCCN(Cc1ccccc1)C2)c1ccc2[nH]nc(C(=O)O)c2c1 1875302081 ZDIJBCKQGJXDAA-UHFFFAOYSA-N 430.468 2.538 0 50 IFAA Cc1ccc(CC(=O)N2CCCN(Cc3cn(-c4ccccc4C(=O)O)nn3)CC2)cc1C 1875357002 XOGDFLHMYATVRN-UHFFFAOYSA-N 447.539 2.859 0 50 IFAA COC(=O)c1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 2856090 JWGPPGVOLGCQQH-NSHDSACASA-N 441.303 2.541 0 50 IFAA COc1ccccc1OCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)COc1ccccc1OC 8399637 PMWWFSYEZJHEKA-QZTJIDSGSA-N 442.512 2.705 0 50 IFAA CN(CCCN1CCOCC1)Cc1cccc(OC[C@H](O)CN(C)C2CCCCC2)c1 11945561 CEFSCUIRMBTITG-XMMPIXPASA-N 433.637 2.845 0 50 IFAA CCN(Cc1ccccc1)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O 11973611 JDPZOYIDCSZLPQ-XMMPIXPASA-N 426.488 2.908 0 50 IFAA Cc1occc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc3c(c1)OCCO3)CC2 11996088 RJHIFDDCOIEWJL-OAHLLOKOSA-N 437.500 2.500 0 50 IFAA C/C(=C\c1ccccc1)CN1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCOCC1 12246531 IJXJBBLXEOGSJY-OXUVQOAGSA-N 426.586 2.917 0 50 IFAA Cc1c(C(=O)N(CCO)CCO)sc2ncnc(N[C@@H]3CCCc4ccccc43)c12 14956850 ZKPVJDVRCIQUCE-QGZVFWFLSA-N 426.542 2.916 0 50 IFAA Cc1cccc(OC[C@H](O)CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 19228397 GKUUCMDQERQBLE-LJQANCHMSA-N 433.346 2.955 0 50 IFAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 61718943 XJOPWEZHWPXUGQ-VMPITWQZSA-N 444.535 2.777 0 50 IFAA O=C(CC[C@@H]1N=C(O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CC[C@]2(O)CCCC[C@H]2C1 252478930 AXODCLCWOALDCX-LBJGKRIESA-N 439.434 2.667 0 50 IFAA COc1cccc(S(N)(=O)=O)c1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 253415862 WZUBJVZBBDJISW-UHFFFAOYSA-N 444.840 2.816 0 50 IFAA C[C@@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(CN(C)Cc2cnn(C)c2)c1 299777178 ASEKPHRMVXBXLY-KRWDZBQOSA-N 436.512 2.978 0 50 IFAA COCCCn1c(C)cc(O)c([C@@H](CC(=O)OC)c2cc(OC)c(OC)c(OC)c2)c1=O 824396628 YFXFYTDIYOPIPW-INIZCTEOSA-N 449.500 2.620 0 50 IFAA Nc1cc(O)nc(C2CN(C(=O)NCc3cccc(NC(=O)Nc4ccccc4)c3)C2)n1 2325878289 KEKUCLCLIFNZHO-UHFFFAOYSA-N 433.472 2.717 0 50 IFAA CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1cc(C(C)C)n(-c2ccncc2)n1 2332239304 FSRFUBQJEBKGSD-UGKGYDQZSA-N 433.512 2.799 0 50 IFAA COCCNC(=O)c1cnn2c1N[C@@H](c1ccc(OC)c(OC)c1)C[C@@H]2C(F)(F)F 8926503 HEYBVVWRKFIYPB-CZUORRHYSA-N 428.411 2.937 0 50 IFAA COc1ccc(C(=O)N2CCC([C@@]3(CCC(C)C)NC(=O)NC3=O)CC2)c(OC)c1OC 11839356 PCFAGKUIMXKFOB-HSZRJFAPSA-N 447.532 2.579 0 50 IFAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 11874867 WBQAXPIRNJUNHU-FQEVSTJZSA-N 434.496 2.710 0 50 IFAA COCC(=O)NC[C@H]1CCC2(CCN(Cc3cccn3-c3ccc(Cl)cn3)CC2)O1 12212806 ZAGIVMAYQIGDCZ-LJQANCHMSA-N 432.952 2.802 0 50 IFAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)C2=NNC(=O)CC2)CC1 12320792 PIWSMKMVGHSPOC-UHFFFAOYSA-N 433.556 2.897 0 50 IFAA O=C(CCC1CCN(C(=O)CN2CCOC2=O)CC1)NCc1cccc(C(F)(F)F)c1 12458479 URJUAXNAXUQIGP-UHFFFAOYSA-N 441.450 2.793 0 50 IFAA Cc1nc2ccccc2n1CCC(=O)N1CCc2c(c(C(=O)NC3CCCC3)nn2C)C1 14733871 PZXOAVFBNBNNDU-UHFFFAOYSA-N 434.544 2.726 0 50 IFAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCN1CCCCO1 14961393 TTXRMXLUZCZXSI-OAQYLSRUSA-N 434.600 2.845 0 50 IFAA O=C(N[C@@H](C(=O)NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2)C1CCCCC1 20389986 DZFPLIIZILEVQH-LFCNWEHWSA-N 431.621 2.716 0 50 IFAA CCOc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccc(OC)cc3)n2CC1 20598421 LFXRZIHZVWOFAO-UHFFFAOYSA-N 449.555 2.716 0 50 IFAA COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)n2cc(Br)ccc2nc1=O 205960752 FLPMSRWOUSMVMP-LBPRGKRZSA-N 449.257 2.572 0 50 IFAA CCOC(=O)[C@@H]1[C@@H]2c3ccccc3C=NN2[C@@H](C(=O)OCC)[C@@H]2c3ccccc3C=NN12 226814966 UEGOQIIYBYDIQE-MYGLTJDJSA-N 432.480 2.645 0 50 IFAA O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1cc(F)cc(Br)c1O 436849354 SEYHHMBUAUGZCE-UHFFFAOYSA-N 437.265 2.696 0 50 IFAA Cc1ccc(-c2cc(C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)c3c(C)noc3n2)cc1 465385278 DLLGJYVEENBXIF-CMJOXMDJSA-N 433.468 2.615 0 50 IFAA CC(C)Cn1ccc(=NC(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)[nH]1 1875301838 SJCWNLBGHSDSJZ-HNNXBMFYSA-N 425.411 2.787 0 50 IFAA CCN1CCN(c2ncc3c(n2)C[C@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)CC1 2199979 LFCXGNKMUFQVTH-HNNXBMFYSA-N 426.517 2.557 0 50 IFAA C[C@@]1(C2CCN(C(=O)c3cccc(F)c3F)CC2)NC(=O)N(Cc2ccncc2)C1=O 11787583 GJQIFARGOXESMM-QFIPXVFZSA-N 428.439 2.723 0 50 IFAA Cc1cc(C)n(CC(=O)NCc2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)n1 12160757 AMSGVMHTWHWCIP-LJQANCHMSA-N 440.573 2.727 0 50 IFAA O=C1CN(C(=O)c2cn[nH]c2)C[C@@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14747352 NUXQZJZGQITZEY-QFIPXVFZSA-N 436.487 2.661 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(OC)c1)c(=O)n2-c1ccccc1 20345177 BCWVFYPZSFDVAA-UHFFFAOYSA-N 431.448 2.699 0 50 IFAA CN(C)C(=O)c1cccc(NS(=O)(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1 328595995 MRACSAZTDIRMRW-LJQANCHMSA-N 431.514 2.541 0 50 IFAA Cc1ccccc1[C@H]1CCN(C(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1 468853525 FMYIZXZBYIORKA-PGRDOPGGSA-N 432.524 2.861 0 50 IFAA FC(F)Cn1ncnc1CN1CC[C@@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1 952893496 MUBUZBMWPUZOFK-MRXNPFEDSA-N 429.353 2.694 0 50 IFAA C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1nc(C(F)(F)F)cs1 1467522728 ALFZZZFQZCEKDV-VHRBIJSZSA-N 445.438 2.683 0 50 IFAA CCOc1ccc2nc(N3C[C@H](C(=O)N(C)Cc4nccn4CC)CC3=O)sc2c1 1857699200 RGCDWCXZUQFVOR-CQSZACIVSA-N 427.530 2.923 0 50 IFAA Cc1cc(N2CCN([C@H]3CCCN(CC(F)(F)F)C3=O)CC2)nc(-c2ccncc2)n1 1875258230 KIXITQDZBDWTGJ-KRWDZBQOSA-N 434.466 2.522 0 50 IFAA Cc1ccc(OCC(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c2c1[C@H](C)CC2=O 2325748266 MRQBDRGVEMQYBK-LLVKDONJSA-N 442.415 2.983 0 50 IFAA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NC[C@@H]1CCCO1 4196219 RNCYDAXJMHNPDJ-HNNXBMFYSA-N 430.954 2.625 0 50 IFAA COc1ccccc1CCN[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 14540015 RVXGMBTUXMIBPS-FQEVSTJZSA-N 440.588 2.710 0 50 IFAA CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 53537255 VHSYKTWXCYMHSE-LJQANCHMSA-N 443.910 2.705 0 50 IFAA CC(C)c1nc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)n[nH]1 253410690 NPFNUHFGFLLRRP-VIFPVBQESA-N 432.282 2.559 0 50 IFAA COc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1C(N)=O 1114802 NVSLDLNDYLUYNX-UHFFFAOYSA-N 428.448 2.960 0 50 IFAA COc1ccc(CCNC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1OC 2071961 WWPSCZQUGZCHOI-UHFFFAOYSA-N 440.949 2.791 0 50 IFAA Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1nc(-c2ccccc2)cs1 13608959 FYCPYYCJSZZFNB-UHFFFAOYSA-N 430.559 2.502 0 50 IFAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NC[C@H]3CCCO3)CN(Cc3ccc(O)cc3)C2)cn1 14536704 AHADZASHLHHQDP-QZNHQXDQSA-N 439.556 2.908 0 50 IFAA CC[C@H](C)C(=O)Nc1c(C(=O)OC)n(C[C@@H]2CCCO2)c2ncc(N[C@@H](C)CO)cc12 14749412 VEEDIMUKVLRSTN-DZKIICNBSA-N 432.521 2.779 0 50 IFAA CC(=O)O[C@@H]1CC[C@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@]1(C)CC[C@H]43 254702321 IRJWPUOTLSQRFN-WGACJMISSA-N 444.524 2.835 0 50 IFAA CCn1cnc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1 2325727433 SEDUMJNKJVKVGQ-UHFFFAOYSA-N 446.982 2.922 0 50 IFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4Cc5ccccc5C5(CC5)C4)ccc3C2=O)C(=O)N1 2325898260 YPKSOCNPSKZTNJ-FQEVSTJZSA-N 444.491 2.527 0 50 IFAA CCCOC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)sc2c1CCCC2 2803877 HWHFGVGALNOCTG-UHFFFAOYSA-N 428.576 2.804 0 50 IFAA CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)NC2Cc3ccccc3C2)c1=O 14987689 QAIHZNXQNSMRCG-UHFFFAOYSA-N 429.520 2.932 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2c(CC)n(Cc3ccccc3OC)c(C)cc2=O)CC1 15072691 QEWWLLRTVQSGIO-UHFFFAOYSA-N 441.528 2.690 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)CC1 15919265 VVFAHEHDKGTQMO-UHFFFAOYSA-N 431.514 2.710 0 50 IFAA O=C(NCCc1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2)C1CCC1 19836937 CYSKYHWFPINNHH-UHFFFAOYSA-N 437.466 2.694 0 50 IFAA COc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NC(C)C)CC4)c3CO2)cc1 169758860 DGTUFDINQACKCG-HXUWFJFHSA-N 426.517 2.540 0 50 IFAA CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 170596855 MBRLCTOYRQEFIV-NVXWUHKLSA-N 439.478 2.960 0 50 IFAA CC(C)OCCOC[C@H](O)CN(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 229681302 QCYAKHFZJSIUPG-JENIJYKNSA-N 441.544 2.706 0 50 IFAA O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1COCCN1CC(F)(F)F 239760991 CJBNZFGRTWQWCB-JKSUJKDBSA-N 437.865 2.995 0 50 IFAA O=C(NCCc1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253425166 BDQUILWEWSSRLK-QGZVFWFLSA-N 443.352 2.742 0 50 IFAA O=C(CN1CCCCCC1)Nc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 499988999 JMGWISJKBPHGDW-UHFFFAOYSA-N 433.512 2.850 0 50 IFAA CCOC(CC(=O)N1CC[C@@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1)OCC 952892321 GTNBHRDJIVMMAP-GOSISDBHSA-N 428.411 2.953 0 50 IFAA CC[C@H](C)[C@H](NC(=O)Cc1c(-c2ccc(OC)cc2)oc2cc(C)oc(=O)c12)C(N)=O 1857526355 CGESWIWKQORKHL-YUNKPMOVSA-N 426.469 2.929 0 50 IFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2nc3ncccc3o2)CC1 1857684679 XYGTUYAPOMDRTC-LJQANCHMSA-N 440.475 2.633 0 50 IFAA COc1cc(C(C)=O)ccc1OCC(=O)NS(=O)(=O)c1csc(-c2ccccc2)n1 2325717724 LKUFIWFAGJCUBY-UHFFFAOYSA-N 446.506 2.905 0 50 IFAA C[C@@]1(c2ccccc2)CCCCN1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896010 OPHIMELVRUMALI-RLWLMLJZSA-N 445.519 2.989 0 50 IFAA Cc1cc(CC(=O)N=S2(=O)CCC3(CC2)C[C@H](NC(=O)[C@]2(C)C=CCC2)CCO3)no1 2332238330 LJNYOGBZXMHTIL-TWJIEOFCSA-N 449.573 2.704 0 50 IFAA CCn1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)n1 2794316 FMDSZDSBYKLFKN-UHFFFAOYSA-N 431.345 2.924 0 50 IFAA COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)c1 2870411 OWPWRZPWJMBYDS-UHFFFAOYSA-N 438.889 2.734 0 50 IFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N[C@H]2CCCCNC2=O)c1 11661632 RPIIHGNUEYUPGP-NRFANRHFSA-N 429.561 2.880 0 50 IFAA CCOC(=O)c1cnn(-c2ccc3c(c2)OCCO3)c1CN1CCC[C@H](C(=O)OCC)C1 11963358 FALIGUGTOAGAMN-INIZCTEOSA-N 443.500 2.595 0 50 IFAA COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 20201163 MZUBTKQYPAMZED-HWKANZROSA-N 449.530 2.856 0 50 IFAA O=C(O)C/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1 43772296 JJUBZOCIDPWZFS-PZDWYUOLSA-N 430.419 2.780 0 50 IFAA in-vitro COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCCn3ccc4ccccc43)C2=O)cc1 206243066 IKFBTFOWLOXBPK-HXUWFJFHSA-N 434.496 2.667 0 50 IFAA O=C(N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 225484413 VBSGCWJXXCJWGM-IIBYNOLFSA-N 437.471 2.971 0 50 IFAA CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CCCc3ccccc32)o1 239351896 AAKJHFCIDJEPLO-ROUUACIJSA-N 446.525 2.803 0 50 IFAA COc1ccc([C@@H]2Cn3nnc(CN4CCN(C(=O)c5ccccc5)CC4)c3CO2)cc1 263616303 HZMSCDSKFDPSDU-QHCPKHFHSA-N 433.512 2.516 0 50 IFAA Cc1cccc(CNC(=O)[C@@H]2CC23CCN(C(=O)[C@H]2CC(=O)OC24CCCCC4)CC3)n1 299776252 MDOZHIMOVUIPBW-UXHICEINSA-N 439.556 2.901 0 50 IFAA CC(=O)Nc1cc(NC(=O)C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)ccc1F 441933836 MPAFAOVUNXKEDS-AUUYWEPGSA-N 432.521 2.983 0 50 IFAA Cc1c(C(=O)N[C@H]2CCCN(c3ccnn3C)C2=O)cnn1-c1cccc(C(F)(F)F)c1 481834596 JSWPTHGPIGLIMZ-KRWDZBQOSA-N 446.433 2.858 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)c1ccc2nc(O)[nH]c2c1 1875288278 VJDRXLVAIVXKBO-CQSZACIVSA-N 440.467 2.990 0 50 IFAA CC(C)(C)OC(=O)N1CC2(CCC2)CC[C@@H]1C(=O)N1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1 1875325643 RFWLJHKZQUBDEX-CRAIPNDOSA-N 445.564 2.784 0 50 IFAA CCC(CC)C(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(N)c(Cl)c2)C12CCC2 1875362407 CYKFTXWYSGZPDU-ROUUACIJSA-N 434.968 2.632 0 50 IFAA O=C1C[C@H]2CCCCN2CCCN(C(=O)c2ccc(Cn3ccnc3)o2)CCCCN1 2100532840 DEIVCJIPGXQESQ-LJQANCHMSA-N 427.549 2.511 0 50 IFAA COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 814612 CKDGKTJXIZTQFR-UHFFFAOYSA-N 432.542 2.729 0 50 IFAA COc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc(Cl)c2Cl)cc1 2204655 HNNRTIDAWRBQQD-INIZCTEOSA-N 436.295 2.971 0 50 IFAA COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)Nc2cccc(Cl)c2)c1 8690203 IJTPCSBOHGJHDM-KRWDZBQOSA-N 446.891 2.718 0 50 IFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)c1cc(OC)c(OC)c(OC)c1 11878585 PLZYMSMVZVZVRX-UHFFFAOYSA-N 433.593 2.981 0 50 IFAA COc1ccccc1/C=C/CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 11908909 WGWIJXFYTCHYLD-YRNVUSSQSA-N 431.540 2.717 0 50 IFAA COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 14291874 VPADYJFEIPBBKP-UHFFFAOYSA-N 444.431 2.987 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccc(F)c(F)c1)C2 14732720 OQPKINVPLFMZFK-QGZVFWFLSA-N 432.515 2.937 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)CC1 15075038 MILHGCYBTUIFDQ-XMMPIXPASA-N 448.611 2.867 0 50 IFAA COc1ccc(CN2CC(=O)N(CCCN3CCCC3=O)C[C@H](OC)C2)c2ccccc12 19939600 GHFWHBNFJOMARG-HXUWFJFHSA-N 439.556 2.520 0 50 IFAA Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)Cc2ccccc2)c(C)c1 20236046 YDXZJEVWXIIMLR-UHFFFAOYSA-N 429.586 2.577 0 50 IFAA CSc1ncc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 20387403 SMPLUGVNMYOXFB-FQEVSTJZSA-N 441.601 2.709 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NC1Cc2ccccc2C1 55384249 CZEMFYGASQRCAP-HXUWFJFHSA-N 431.458 2.680 0 50 IFAA CC(C)Cc1ncnc(N2CCC[C@@H](c3nncn3C)C2)c1I 225650489 GHSVBOWPEREFIT-GFCCVEGCSA-N 426.306 2.792 0 50 IFAA Cc1ccc(F)c(N2CCC[C@H](NC(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)C2)c1 1875263522 NZYGUKOFQPCSOU-CCFZPGPVSA-N 425.548 2.911 0 50 IFAA Cc1cncc(CC(=O)N2CC[C@@H]([C@H]3CCCN3C(=O)Cc3ccc4c[nH]nc4c3)C2)c1 1875359908 SRRYKVLELJMFSE-FYYLOGMGSA-N 431.540 2.891 0 50 IFAA O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc2ccccc2n1CCc1ccccn1 2325742002 XBBCZRAXDRTQBN-RTBURBONSA-N 443.507 2.954 0 50 IFAA CN(c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 2873684 HVFXHABTZQIIKC-UHFFFAOYSA-N 435.933 2.503 0 50 IFAA Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)[C@H](C)CS4(=O)=O)c3)CC2)c1C 11859434 LWUUVNHHLHDJSU-QGZVFWFLSA-N 441.553 2.578 0 50 IFAA O=C(Cn1cnc2cc(I)ccc2c1=O)c1ccc2c(c1)OCCO2 12375057 OJQBHLHOXCDDRT-UHFFFAOYSA-N 448.216 2.655 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1NC(C)=O 12379581 PQTRKVLNFSZBTM-RMKNXTFCSA-N 429.542 2.673 0 50 IFAA COc1ccccc1CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 15075492 NLYSDEKDTJPIOX-QHCPKHFHSA-N 431.536 2.898 0 50 IFAA CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC 19894137 JKKTTWYHKIQCJE-VQTJNVASSA-N 428.485 2.688 0 50 IFAA Cc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1Cl 95531928 FESAVINAIRTZJW-LJQANCHMSA-N 441.915 2.827 0 50 IFAA CC1(C)O[C@@H]2[C@H](COC(=O)c3ccccc3)OCO[C@H](COC(=O)c3ccccc3)[C@H]2O1 100970505 PWLCYBVEONJDMJ-PLACYPQZSA-N 442.464 2.962 0 50 IFAA CCOC(=O)[C@@H](NC(=O)CNC(=O)CC(C)(C)C)c1c(C)nn(Cc2ccccc2)c1C 170614372 AKCBXIKAYYCPGG-QFIPXVFZSA-N 442.560 2.821 0 50 IFAA CCOc1ccc(C(=O)NCCc2csc(NC(=O)c3ccc(OCC)nc3)n2)cn1 170615891 IZCOGJCQBTYHPZ-UHFFFAOYSA-N 441.513 2.955 0 50 IFAA CC(=O)N(CC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)Nc2ccc(F)c(F)c2)CC1 170616783 PXCWTDLZWXMPBO-KRWDZBQOSA-N 439.503 2.948 0 50 IFAA CN1CCN(CCCNC(=O)c2nc(N3CCCC3)ncc2Cl)[C@@H](c2ccccc2)C1 229785258 ODUWBHODAFGELK-HXUWFJFHSA-N 442.995 2.839 0 50 IFAA COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@H](C)O)N[C@@]23C(=O)Nc2ccc(Cl)cc23)c1 253386478 WWVKMMNZJNDWBR-DKTCFHKXSA-N 445.903 2.502 0 50 IFAA COc1ccc(CN2CCc3c(C(=O)NCCC(C)C)c(OC)cc(=O)n3CC2)cc1 299769145 JXOUWYVLVZKYMM-UHFFFAOYSA-N 427.545 2.700 0 50 IFAA Cc1cc(CN2CC3(CCN(C(=O)CCCCc4cccnc4)CC3)OCCC2=O)on1 1857719727 UATOAZHDKYFQES-UHFFFAOYSA-N 440.544 2.901 0 50 IFAA O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 2325732285 KRFIXBXWRRINLP-WJFTUGDTSA-N 440.462 2.661 0 50 IFAA COc1ccccc1NC(=O)Cn1cnc2ccc(I)cc2c1=O 638850 ZKNYPZSJTQUIQB-UHFFFAOYSA-N 435.221 2.648 0 50 IFAA O=C(CCC1CCN(C(=O)C(=O)c2ccco2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 11753949 XVJNSJNRIGVDLZ-OAQYLSRUSA-N 437.540 2.872 0 50 IFAA C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2 12077910 IUJOJONQZIJUMV-ZDUSSCGKSA-N 443.891 2.803 0 50 IFAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(n2cc(C(=O)N3CCCC3)nn2)CC1 12097239 ZWMAHQUNLMDLIG-HNNXBMFYSA-N 431.924 2.799 0 50 IFAA C[C@H](C(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1)N1CCCC1=O 12466220 ICHCDGCMTJLBSA-GOSISDBHSA-N 437.544 2.629 0 50 IFAA CCN1C(=O)C[C@@](CC(=O)N2CCC(OC)CC2)(c2cccc(C(F)(F)F)c2)C1=O 14887734 CGQGLEGAHMRKSR-FQEVSTJZSA-N 426.435 2.750 0 50 IFAA CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3ccc(CO)o3)CC2)[C@H]1OCCOC 14977047 CNVWRQGZZNFFLI-RPWUZVMVSA-N 442.556 2.918 0 50 IFAA CCOC(=O)N1CCC(NC(=O)c2c(CC)n(CCN3CCCCC3)c(C)cc2=O)CC1 14995796 NDGXPCHXQBKMSW-UHFFFAOYSA-N 446.592 2.556 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2-c1ccccc1OC 20345169 HWFMDXHHQMYDGF-UHFFFAOYSA-N 449.438 2.838 0 50 IFAA Cc1cccc(-c2noc(C(=O)NCCNC(=O)COc3ccc(Cl)c(C)c3)n2)c1 20417620 JPJOLOJZWJGCMK-UHFFFAOYSA-N 428.876 2.932 0 50 IFAA O=S(=O)(c1cc(Br)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2 230533713 OKHHAMNFYOIYFP-UHFFFAOYSA-N 446.241 2.875 0 50 IFAA CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NC(=O)NCc2ccco2)[C@H]2CCCC[C@H]21 241587903 OYBLANNHSRRSGN-HNULKUCHSA-N 432.565 2.789 0 50 IFAA C[C@H](CCc1ccccc1)NC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 252346982 ODIVOGBZXBNPLY-CQWBOUOSSA-N 446.503 2.839 0 50 IFAA Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]3CN3CCC[C@H]3CO)c2c1C 252676223 WKNMYJDJDRXGTD-MOPGFXCFSA-N 445.633 2.566 0 50 IFAA CC(C)n1c(CCNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)nc2ccccc21 736220626 ODCANTSJOBRLSO-XMMPIXPASA-N 433.512 2.743 0 50 IFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cn1c(C(C)C)nc2ccccc21 1506418246 VZDLDXDVWUXVEN-INIZCTEOSA-N 429.546 2.971 0 50 IFAA COc1cccc(CNC(=O)Cc2ccc(-n3cc(C[C@H](C(=O)O)C4CC4)nn3)cc2)c1 1875353676 BUAGNHGNXPVONM-QFIPXVFZSA-N 434.496 2.788 0 50 IFAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CC5(CCC5)c5ccccc54)ccc3C2=O)C(=O)N1 2325896176 SKPNTWXZWIXGBH-FQEVSTJZSA-N 429.476 2.530 0 50 IFAA CC[C@@H]1c2ccccc2CN1C(=O)Nc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896682 DLBWPODTDRWUBU-UXHICEINSA-N 432.480 2.946 0 50 IFAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)c1 811710 OAUVGBRRHWKVEM-UHFFFAOYSA-N 446.525 2.946 0 50 IFAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)CC1 8588829 DECOKUQXIVJHPY-UHFFFAOYSA-N 436.965 2.723 0 50 IFAA C[C@H](c1ccon1)N(C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 12453870 IZSPKQKCGBJNPN-IQGLISFBSA-N 446.507 2.919 0 50 IFAA COc1ccc(CN(C)Cc2nnc(C)o2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12588140 LMFZCJNTIZKKBH-NRFANRHFSA-N 440.544 2.890 0 50 IFAA COc1cc(CN2CCN(Cc3cnn(-c4ccccc4)c3)C[C@H]2CCO)cc(OC)c1 104364839 ACISBRXQWDUEGH-HSZRJFAPSA-N 436.556 2.958 0 50 IFAA CC(C)N1CCC(N2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)CC1 104633817 RDFIFFDQLWHNHH-HSZRJFAPSA-N 429.584 2.957 0 50 IFAA C[C@H](CCC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C 225496635 YJTLVQVMOJLAEW-HIFRSBDPSA-N 440.566 2.752 0 50 IFAA O=C(O)[C@@H]1CN(C(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC12CCOCC2 1775983553 NHGIQHVKEZNNRJ-SFHVURJKSA-N 434.920 2.532 0 50 IFAA COC(=O)c1cc(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc23)cn1Cc1ccccc1 1875261653 FZFGPONOAUKSBK-OAHLLOKOSA-N 445.479 2.956 0 50 IFAA Cc1c(C(=O)N2CCCCN3CCCC[C@@H]3CC(=O)NCCC2)cnn1-c1ccccn1 2100533115 ASQDDKVHCPQWFY-HXUWFJFHSA-N 438.576 2.563 0 50 IFAA Cn1ccnc1[C@@H]1CCCN1C(=O)CCSCCC(=O)N1CCC[C@@H]1c1nccn1C 2325730265 HYBZXOTUYDJWMO-HDICACEKSA-N 444.605 2.694 0 50 IFAA Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)c(C)c1 1108524 JFHYAXCBWCVISB-UHFFFAOYSA-N 429.542 2.750 0 50 IFAA CCN1C(=O)N[C@H](c2ccccc2I)C(C(=O)OCCOC)=C1C 2062507 WIGZMOMYISHOEW-OAHLLOKOSA-N 444.269 2.841 0 50 IFAA CCc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)cc2OC)cc1 11661354 MAUYCWFYZWMJSL-QFIPXVFZSA-N 439.556 2.615 0 50 IFAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCc4cccnc4)c3C)n2)c1 11785886 LUIUEWDBVZNQJG-UHFFFAOYSA-N 430.468 2.980 0 50 IFAA CO[C@@H]1CCCN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)C1 12150531 CKQWAJMSWBLIBI-UTKZUKDTSA-N 438.446 2.892 0 50 IFAA COc1cc(CNCc2ccc(Cl)s2)ccc1OC[C@H](O)CN1CCOCC1 12706950 CAAQCHRDIVXRPM-MRXNPFEDSA-N 426.966 2.772 0 50 IFAA CN(Cc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)c(=O)[nH]1)Cc1cccs1 14879716 WPDHTRBNFKGMSS-INIZCTEOSA-N 425.510 2.638 0 50 IFAA Cc1cc(C)n(CCNC(=O)c2coc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)n1 20599418 UNIMIGQMNOYDAC-RMKNXTFCSA-N 448.571 2.749 0 50 IFAA CCn1ccc(CN(CCc2c[nH]c3ccccc23)S(=O)(=O)c2cn(C)nc2C)n1 20608070 DOSZSYMGEUGONU-UHFFFAOYSA-N 426.546 2.860 0 50 IFAA CCOc1cc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)ccc1OC 20906231 HBRGXOJXNGBYBE-INIZCTEOSA-N 439.516 2.828 0 50 IFAA CCOC(=O)[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1c(C)nn(-c2ccccc2)c1C 225668202 FTVYTCPPWLJDCC-FUHWJXTLSA-N 438.450 2.846 0 50 IFAA Cn1c(=O)c2c(nc(Oc3ccc4c(c3)OCO4)n2Cc2ccc(Cl)cc2)n(C)c1=O 1133149 MGCHPUBURHMNSG-UHFFFAOYSA-N 440.843 2.656 0 50 IFAA biogenic CC(C)Oc1ccc(CCNCc2cccc(OC[C@H](O)CN3CCOCC3)c2)cc1 11874375 MLFXWGHUAYLBSJ-HSZRJFAPSA-N 428.573 2.878 0 50 IFAA O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 11909122 YOFVGDDASWXDSH-UHFFFAOYSA-N 429.446 2.613 0 50 IFAA Cc1cc(S(=O)(=O)N2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c(C)s1 14964912 FCAFQXPCCTXPBV-HNNXBMFYSA-N 436.555 2.924 0 50 IFAA Cc1ccc(S(=O)(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)O)cc1 15721273 XSWGRGGVKUEBSE-IBGZPJMESA-N 434.514 2.823 0 50 IFAA in-vitro COc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 19832210 HYSUHQPOGZONNW-UHFFFAOYSA-N 430.501 2.688 0 50 IFAA COC(=O)c1cccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1 55042291 OEZORHIDWPQFMX-OAQYLSRUSA-N 437.540 2.909 0 50 IFAA COc1cccc(C(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2)c1F 170610483 YNIQFQQSSRPDMG-UHFFFAOYSA-N 431.468 2.934 0 50 IFAA CCO[C@@H]1C[C@H](N(C)C(=O)CN2C(=O)COc3cc(Br)ccc32)C1(C)C 170636648 IDUXWCYYBVWUEC-JKSUJKDBSA-N 425.323 2.837 0 50 IFAA O=C(c1n[nH]c2c1CCC2)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(C2CCCCC2)CC1 299767345 QTKAZSRZKVQGOY-HXUWFJFHSA-N 439.604 2.618 0 50 IFAA COC[C@H](C)N(CC(=O)NCCc1ccc(OC)cc1)Cc1cc(OC)cc(OC)c1 1506411306 PTDCOJJZQDWQPL-SFHVURJKSA-N 430.545 2.908 0 50 IFAA Cc1c(NC(=O)/C=C/c2cc3cnn(C(C)C)c3[nH]c2=O)ccc(F)c1N1CCNC1=O 1875264917 JZNNLGSOTPSCLD-QPJJXVBHSA-N 438.463 2.935 0 50 IFAA CN1CCN(C(=O)Cn2cc(NC(=O)/C=C/c3ccc4ccc(Cl)cc4n3)cn2)CC1 2325720735 AEYSJCXPMDMNCM-VOTSOKGWSA-N 438.919 2.511 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)C2CC(c3ccccc3)C2)CC1=O 2325819920 VCCAIGUDQNUHKQ-FZQMEJGWSA-N 426.538 2.988 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cncc(Br)c1 800968 SWXFQIPZBQMJLM-UHFFFAOYSA-N 434.275 2.687 0 50 IFAA COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1OC 8430360 OPMXHRBHOVSRHQ-UHFFFAOYSA-N 448.585 2.930 0 50 IFAA COc1cccc(OC[C@@H](O)CN2C(=O)CC[C@@H]2CCNCCOc2ccc(F)cc2)c1 15007726 UOJSKHSLEPVZDC-UXHICEINSA-N 446.519 2.624 0 50 IFAA Oc1ccc(CN2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)cc1Cl 45167623 CCGFSZVKSQPTHE-UPVQGACJSA-N 429.992 2.841 0 50 IFAA CCOc1ccccc1CN1CCN(Cc2ccc(N3CCNC3=O)cc2)C[C@H]1CCO 107100178 XZVGROKWGSROOG-HSZRJFAPSA-N 438.572 2.684 0 50 IFAA COc1cccc(CC(=O)NCCn2ccn3nc(-c4cccc(OC)c4)cc3c2=O)c1 169777053 RDLLHCYOODKIJK-UHFFFAOYSA-N 432.480 2.539 0 50 IFAA C[C@H](NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(S(C)(=O)=O)c(F)c1 170640642 IKFUBWXGKKFPRJ-DYZYQPBXSA-N 426.416 2.878 0 50 IFAA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1ccccc1OCC(=O)O)CC(=O)O2 218088910 MBZPLSHHTKFPOH-ZDUSSCGKSA-N 438.388 2.914 0 50 IFAA biogenic COc1ccc2cnn(CC(=O)N[C@@H](c3nc4ccccc4n3C)C(C)C)c(=O)c2c1OC 223243346 HCBTVIGUCKYXRP-OAQYLSRUSA-N 449.511 2.814 0 50 IFAA C[C@H]1CN(CC(=O)NC[C@H]2CCS(=O)(=O)C2)c2ccccc2N(Cc2ccccc2)C1 252666094 AMIVIOXLGKSOEE-TZIWHRDSSA-N 441.597 2.700 0 50 IFAA O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCN(CC2CCC2)CC1 328591373 SBLXZLCCKZFAIE-UHFFFAOYSA-N 433.618 2.738 0 50 IFAA C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)C1CC(c2ccc(OC(F)(F)F)cc2)C1 1875263314 YHMIDFMNKDKMRN-CRELMNQXSA-N 434.480 2.865 0 50 IFAA O=C1CCN(C[C@H]2CCN(c3ccccc3)C2)C(=O)N1CCN1C(=O)COc2ccccc21 1875329102 DUJYYPUALBEVAW-IBGZPJMESA-N 448.523 2.593 0 50 IFAA COc1c[nH]c(C(=O)N[C@H](c2ccccc2)[C@H](C)NC(=O)C[C@H]2C[C@H]3C=C[C@H]2C3)cc1=O 2325876507 XYBRCLPJQBIZOG-OLTUSHDRSA-N 435.524 2.962 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 627384 MJWRRXDSLOSKDR-UBXANZILSA-N 434.517 2.725 0 50 IFAA Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1 1115174 TUVPNTQZSRFPDD-UHFFFAOYSA-N 439.940 2.902 0 50 IFAA CCN(CC)CCOC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1 2250426 OBLFBUVDBXPREW-UHFFFAOYSA-N 437.496 2.995 0 50 IFAA CN(Cc1ccon1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 11878863 QXNIIQJGNNXIHY-JOCHJYFZSA-N 434.496 2.816 0 50 IFAA COc1cccc(CN2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1OC 12020244 JVEXKCDWOKLDDX-IBGZPJMESA-N 442.560 2.689 0 50 IFAA O=C1CN(C(=O)c2cn(Cc3cccc(Cl)c3)nn2)CCN1Cc1cccc(F)c1 12028612 KPCXAWXZIYIUCX-UHFFFAOYSA-N 427.867 2.604 0 50 IFAA COc1cccc(CN2C[C@H](C(=O)NCc3ccccc3Cn3cccn3)CCC2=O)c1 12702242 MAUQSFQNXPCTDT-JOCHJYFZSA-N 432.524 2.995 0 50 IFAA COc1cc(CNCCc2ccc(Cl)cc2)ccc1OC[C@@H](O)CN1CCOCC1 14966052 VCWNFTDKGCMVMI-NRFANRHFSA-N 434.964 2.753 0 50 IFAA O=C(C1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1)N1CCCCC1 15066880 XDTZMCSHFLIHRI-SFHVURJKSA-N 425.529 2.691 0 50 IFAA Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 19891041 UYYURNADXNBWIN-UHFFFAOYSA-N 433.516 2.552 0 50 IFAA Nc1nc(CN2CCN(CCc3ccccc3)CC2)nc(N2CCCc3ccccc32)n1 19899220 WQRBWFNKKZYHMM-UHFFFAOYSA-N 429.572 2.898 0 50 IFAA CC(C)c1c(C(=O)NCCCN2CCOCC2)cnn1-c1nccc(-c2cccs2)n1 20271615 OMWHRHXWSLQYBD-UHFFFAOYSA-N 440.573 2.966 0 50 IFAA CCN(Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1 20599137 OHJSXZSTPVUEED-QHCPKHFHSA-N 427.589 2.704 0 50 IFAA O=C(NCc1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2)[C@H]1CCOC1 23129083 NHHBVLYHMUBVMY-QFIPXVFZSA-N 431.540 2.656 0 50 IFAA CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc([C@@H]4CCCO4)s3)n2)cc1 71283595 MUUSLZVWHUSCKU-HNNXBMFYSA-N 429.527 2.974 0 50 IFAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccc(F)cc1F 169752459 TYLDIOVUBXYYTO-UHFFFAOYSA-N 428.370 2.711 0 50 IFAA CC(C)CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 169759033 SJMNJXUPXSGOGP-HXUWFJFHSA-N 428.508 2.918 0 50 IFAA CN(CCCNC(=O)c1cncnc1N1CC(c2ccc(Cl)cn2)C1)CC(F)(F)F 1875360503 BTVMZMJZMCMVMO-UHFFFAOYSA-N 442.873 2.743 0 50 IFAA C=CC(=O)NCc1cn(-c2cccc(CNC(=O)[C@@H]3Cc4cc(C)ccc4S3)c2)nn1 1875383012 BUKPZYARODNHCW-NRFANRHFSA-N 433.537 2.711 0 50 IFAA CCOc1ccc(OC(C)(C)C(=O)N=[S@]2(=O)CCCN(C(=O)c3cnco3)CC2)cc1 2332238428 UZEJAZNGAFDBPX-HKBQPEDESA-N 449.529 2.771 0 50 IFAA Cn1c(=O)c2c(nc(Sc3nc4ccccc4n3Cc3ccccc3)n2C)n(C)c1=O 1093835 RNOKQGHTQBYICH-UHFFFAOYSA-N 432.509 2.520 0 50 IFAA CC[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2745940 XBGFWXZSCFNXAA-HNNXBMFYSA-N 442.526 2.663 0 50 IFAA COc1cc(CN2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)cc(OC)c1OC 14981227 HPPSKAPZUCMKOR-SFHVURJKSA-N 443.548 2.641 0 50 IFAA Cc1c[nH]c(CCNC(=O)C2CCN(C3CCN(c4nc5ccccc5o4)CC3)CC2)n1 20135020 INRKHYBCMZVYES-UHFFFAOYSA-N 436.560 2.899 0 50 IFAA CN(C)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 59759804 PMJJLJOESYLHSL-UHFFFAOYSA-N 436.578 2.583 0 50 IFAA COc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)c(OC)c1 64800109 JDELLHMRDLYPKA-UHFFFAOYSA-N 426.521 2.757 0 50 IFAA CCOC(=O)c1c(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)sc(C)c1C 115195613 YOAUBKJFBMVDLC-UHFFFAOYSA-N 429.454 2.574 0 50 IFAA COc1ccc(Cn2c(C3CCN(C(=O)c4cc(F)ccc4F)CC3)n[nH]c2=O)cc1 169770611 CPZGCUZGZOMBDP-UHFFFAOYSA-N 428.439 2.926 0 50 IFAA O=C(c1cc(Br)c[nH]1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 225564214 NFBPCHCCSLNGCY-LJQANCHMSA-N 445.361 2.726 0 50 IFAA CCCCn1c(N)c(N(C(=O)CN2CCC[C@H]3CCCC[C@H]32)C2CCCC2)c(=O)[nH]c1=O 229980125 KNQIJHJGMGDGQA-IEBWSBKVSA-N 445.608 2.849 0 50 IFAA CN(C(=O)CNC(=O)Cc1cccc2ccccc12)[C@@H]1CCN(Cc2ccccc2)C1=O 789885801 UQVWFQZMSYGNDY-HSZRJFAPSA-N 429.520 2.758 0 50 IFAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)C1 951726956 RMIFTCCZOQDKNQ-QGZVFWFLSA-N 431.587 2.794 0 50 IFAA O=C1c2ccccc2CN1C[C@H]1CC[C@H](C(=O)NCc2nnnn2-c2ccccc2)CC1 1775942342 BISMDWYYDCCBIQ-IYARVYRRSA-N 430.512 2.741 0 50 IFAA N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)C2)C1 1775988980 WTOQATJRSBTDGU-ZSDSOXJFSA-N 430.499 2.998 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cccc(C(=O)O)c1)C2 1857690747 RCWMVODVQLWJGA-PQNGQFLHSA-N 430.545 2.641 0 50 IFAA O=C(Cn1cccnc1=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857705521 KYXLUVNZGPEOIJ-JOCHJYFZSA-N 438.572 2.732 0 50 IFAA CC(=O)N1CCN(c2cccc(NC(=O)N[C@H](C)[C@@H](O)c3ccc(F)c(F)c3)c2)CC1 1875265090 MHQPXSLYKCNVPB-SPLOXXLWSA-N 432.471 2.877 0 50 IFAA C=CC(=O)N1CCC(C(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)(c2ccccc2)CC1 1875369609 YOOQQRUTIWDBGM-HXUWFJFHSA-N 431.536 2.902 0 50 IFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 1875371887 OWYYPFCXNFHMPV-YJBOKZPZSA-N 448.361 2.794 0 50 IFAA CN(C)C/C=C/C(=O)N(Cc1nccn1C)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 1875376068 XWBDGRBVVVRKDH-DVBCCOPCSA-N 431.581 2.656 0 50 IFAA O=C(c1cn2c(n1)CCNCC2)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356161218 LBULNRHKTZMYST-RUZDIDTESA-N 428.540 2.606 0 50 IFAA COc1cccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(C)cc2)c1 889738 RBGQDWSTMWQONR-UHFFFAOYSA-N 425.510 2.910 0 50 IFAA CCNC(=O)C[C@@H]1C(=O)N(Cc2ccccc2)C(=S)N1NC(=O)c1ccc(Cl)cc1 1185733 WPZMGBQHLYNYTR-QGZVFWFLSA-N 444.944 2.509 0 50 IFAA CCOC(=O)N1CCN(C(=O)[C@@H](C)n2cc(NC(=O)c3cc(C)c(C)s3)c(C)n2)CC1 2732215 GOTDSHPCPIGTNZ-OAHLLOKOSA-N 447.561 2.984 0 50 IFAA O=C(CSc1nnnn1-c1ccccc1)Nc1nnc(COc2ccccc2)s1 2751077 XGLOZCHUNGZUFS-UHFFFAOYSA-N 425.499 2.824 0 50 IFAA CC[C@@H](O)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2nc(C)n(CC)c12 11785330 UGPJLHOLTGKYKO-MRXNPFEDSA-N 430.530 2.666 0 50 IFAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1cc(NC(=O)c2ccccn2)cn1)CC3 11869356 PTSKEEFGYARZBL-UHFFFAOYSA-N 430.468 2.605 0 50 IFAA CO[C@@H]1CCCN(C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)C1 12150533 CKQWAJMSWBLIBI-DYESRHJHSA-N 438.446 2.892 0 50 IFAA CCn1nc(C)c(CNC(=O)c2cc(OC)ccc2OC2CCN(C(C)=O)CC2)c1C 12432515 YHLJSAPMOUQVIN-UHFFFAOYSA-N 428.533 2.848 0 50 IFAA COC(=O)CC[C@H]1CN(C2CCN(C)CC2)CC[C@H]1N1CCN(c2ccccc2F)CC1 14973338 XFSNNTPYIFLRCX-NZQKXSOJSA-N 446.611 2.686 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2nc3ccccc3[nH]2)CC1 20450363 LCVSXUKMZQCZJL-UHFFFAOYSA-N 438.528 2.991 0 50 IFAA Cc1cc(C)n2cc(CNCc3c(C(=O)N4CCOCC4)nc4c(C)cccn34)nc2c1 20993326 GTDMNCGXQHYOKO-UHFFFAOYSA-N 432.528 2.669 0 50 IFAA COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCc2nnc(C3CC3)o2)cc1 170601793 JROXSZXZUHAZQN-UHFFFAOYSA-N 442.497 2.711 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)[C@@H]3Sc4[nH]c(=O)sc4[C@](C)(CC)[C@@H]3C2=O)cc1 170612558 XWCNBSANBFCENW-MRRFBWAASA-N 432.523 2.945 0 50 IFAA CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 245247207 RPEYWJZYNISSLF-AYMMHLMVSA-N 425.485 2.504 0 50 IFAA Cn1ccc(N2CCC[C@@H](NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)C2=O)n1 460434184 CSVWLUJBQIYTSX-OAHLLOKOSA-N 432.406 2.550 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)N2CCc3cc(OC)ccc3C2)C1 1857689578 SUGSYCQVDFAMEF-MVERNJQCSA-N 441.616 2.793 0 50 IFAA COC(=O)c1ccc(CC(=O)NS(=O)(=O)c2cc(C(=O)C3CC3)ccc2Cl)cc1 1875342323 LASIIAIWHSIQRV-UHFFFAOYSA-N 435.885 2.767 0 50 IFAA O=C1c2ccccc2C(=O)N1Cc1nc2ccc(I)cc2c(=O)o1 706512 OWPBSWMJHJKKGT-UHFFFAOYSA-N 432.173 2.589 0 50 IFAA C[C@@H]1C[C@@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 1127277 QXDXQVQGJJQEFJ-CHWSQXEVSA-N 433.915 2.757 0 50 IFAA O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 9355824 IMSNPBPYIBCKND-MAUKXSAKSA-N 425.460 2.726 0 50 IFAA CC(=O)c1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2cc(C)[nH]n2)C3)cs1 11970716 XVWFYELHKFXTDD-UHFFFAOYSA-N 437.525 2.814 0 50 IFAA Cc1cc2c(cc1S(=O)(=O)NCCCOC13CC4CC(CC(C4)C1)C3)OCC(=O)N2 12446823 CPHXPBCQMJRVQS-UHFFFAOYSA-N 434.558 2.980 0 50 IFAA Cc1c(C(=O)N(CCO)CCO)sc2ncnc(N[C@H]3CCCc4ccccc43)c12 14956853 ZKPVJDVRCIQUCE-KRWDZBQOSA-N 426.542 2.916 0 50 IFAA CC(=O)N1CCN(c2nc3cc(C)ccc3cc2CN(C(=O)[C@H]2CCCO2)C2CC2)CC1 19229029 FNWGGRKQJSCYQW-HSZRJFAPSA-N 436.556 2.882 0 50 IFAA COCCN(Cc1cc2ccc(SC)cc2nc1N1CCOCC1)C(=O)[C@@H]1CCCO1 19800375 HLYUHZQCEPNEGP-NRFANRHFSA-N 445.585 2.947 0 50 IFAA O=C1C[C@H](C(=O)N2CCN(Cc3coc(-c4ccccc4)n3)CC2)CN1Cc1ccco1 170605907 TWEWTOPRBNFUPJ-IBGZPJMESA-N 434.496 2.628 0 50 IFAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(N5CCCCC5)CC4)c3CO2)cc1 263616113 HDNHYUQFCQUUNY-NRFANRHFSA-N 425.533 2.649 0 50 IFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@]2(Cc3cscn3)C[C@H]3CC[C@@H]2N3)n1 1704331771 UTDQLEQYWXFAOV-UVBSCNOISA-N 425.480 2.672 0 50 IFAA C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccsc1C(=O)NC[C@H]1CCCCN1 1857527110 YSKIILWIVKUNEZ-DOTOQJQBSA-N 433.599 2.928 0 50 IFAA COc1c(Br)c(Br)c([C@H](O)CN)c(Br)c1OC 1857783518 VGUGLMCMURDNND-SCSAIBSYSA-N 433.922 2.983 0 50 IFAA CC(C)C[C@H](NC(=O)c1cc2cncc(Br)c2s1)C(=O)N=c1cc[nH][nH]1 2325839727 CLXYUFKARACSRT-LBPRGKRZSA-N 436.335 2.987 0 50 IFAA Cc1cc(C)nc(N2CCC[S@](=O)(=NC(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)CC2)n1 2332238654 GXVNUALAYSKVEA-WTPASJBYSA-N 449.621 2.725 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc2)cc1 2979014 YVTOLOHBIMUPGM-UHFFFAOYSA-N 439.493 2.628 0 50 IFAA O=C(CC[C@H]1CCCN(C(=O)CN2CCCCCC2)C1)N1CCN(c2ccccn2)CC1 12094322 WVZGCZOGPAQJRX-JOCHJYFZSA-N 441.620 2.625 0 50 IFAA CC(C)OCCCNC(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 12710567 IXNLYLCNPHYHSQ-XMMPIXPASA-N 437.584 2.940 0 50 IFAA O=C(NCCc1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccoc1 19300048 RNBRKYWJKVJLTB-UHFFFAOYSA-N 449.433 2.801 0 50 IFAA COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C12CCCC2 31811101 SPKVMOWZPVJLLG-QHCPKHFHSA-N 448.567 2.929 0 50 IFAA COc1cc(OC)c(NC(=O)[C@H]2CCCN(c3ccc4nnc(C)n4n3)C2)cc1Cl 32101345 BBDMETHWTFAFEZ-ZDUSSCGKSA-N 430.896 2.958 0 50 IFAA Cc1c(OCC(=O)N2CCN(Cc3ccncc3)CC2)ccc2c3c(c(=O)oc12)CCC3 36352965 IUPQUWMIVBRWKZ-UHFFFAOYSA-N 433.508 2.708 0 50 IFAA Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)CC1 55245134 ZCIMBUORWUHLGO-LJQANCHMSA-N 431.540 2.658 0 50 IFAA OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1 95577747 WLLOFQROROXOMO-GOSISDBHSA-N 432.517 2.628 0 50 IFAA investigational Cc1cccc(N2CCN(C(=O)CCn3ccn4nc5c(c4c3=O)CCCC5)CC2)c1C 169760014 VURWTYJVKZFICG-UHFFFAOYSA-N 433.556 2.731 0 50 IFAA CC(=O)NCCCOC(=O)c1cc(I)ccc1Br 170593409 YZFLJXNDVSFQPH-UHFFFAOYSA-N 426.048 2.737 0 50 IFAA CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 170603263 DWKSDJRENMWCDE-WMQCIHAUSA-N 427.545 2.729 0 50 IFAA CS(=O)(=O)NC1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1 828184202 MUEDTEYTMPWJPD-UHFFFAOYSA-N 426.498 2.557 0 50 IFAA COc1ccccc1CN1C[C@H](C(=O)N2CCCN(Cc3cccs3)CC2)CC1=O 1506403754 DFWSNMYSFMCVQD-LJQANCHMSA-N 427.570 2.840 0 50 IFAA O=C(OCc1ccccc1)N1CCC[C@](O)(Cn2cc(I)cn2)C1 1875289176 WCZWQWJAQCOZRZ-QGZVFWFLSA-N 441.269 2.651 0 50 IFAA COc1ccc(Nc2nc(C(=O)NCc3cc4c(nc3O)CCN(C)C4)cs2)cc1 1875329246 MJZZECOVAIIJRO-UHFFFAOYSA-N 425.514 2.914 0 50 IFAA COc1ccc([C@@H](OC)C(=O)N[C@@H]2CCN(C(=O)c3cnn(CC4CCCC4)c3)C2)cc1 2325828755 QLLYUQAESZIVAY-IFMALSPDSA-N 440.544 2.800 0 50 IFAA CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 1061245 QQDSPHGTCOTEJC-UHFFFAOYSA-N 431.297 2.805 0 50 IFAA O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10506418 SHTJZWOZVMKDQE-UHFFFAOYSA-N 448.405 2.769 0 50 IFAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cnc(-c3ccccc3)s1)CC2 11882332 QMTYMBCWQGKURV-MRXNPFEDSA-N 440.573 2.674 0 50 IFAA COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NN3CCN(C)CC3)n2)cc1 12844558 GSKHGVHKTIOLJU-UHFFFAOYSA-N 441.479 2.542 0 50 IFAA CC1CCN(c2ccc(=O)n(CC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)n2)CC1 61718063 SCLRNJPALXRWTE-UHFFFAOYSA-N 444.963 2.643 0 50 IFAA COc1ccc(Cn2c(C3CCN(C(=O)COc4cccc(C)c4)CC3)n[nH]c2=O)cc1 169770675 HZMFIYXEAYGZNX-UHFFFAOYSA-N 436.512 2.722 0 50 IFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)c(OC)c4)ccn3n2)cc1 169775870 IWOWDOAGFSAVJK-UHFFFAOYSA-N 448.479 2.619 0 50 IFAA CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1cc(Br)cnc1Cl 170613211 SUNSFVRJHLZURH-SNAWJCMRSA-N 440.747 2.857 0 50 IFAA O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 218063437 SJJODFDFZORGLF-SFHVURJKSA-N 436.493 2.699 0 50 IFAA biogenic CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3C[C@@H](C)C(=O)C[C@H]3C)c12 245313094 ZXPNTKNDRGETDK-ZIAGYGMSSA-N 429.517 2.910 0 50 IFAA CCOC(=O)N1CCN(C(=O)CC[C@H]2N=C(O)N(c3cccc4ccccc34)C2=O)CC1 252494305 NRPJPARDMLBYHF-GOSISDBHSA-N 438.484 2.550 0 50 IFAA CCC1(C(=O)OCC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)CCC(O)CC1 253428700 KQIPOTKNLVZJRQ-ZGGTZUKQSA-N 425.547 2.522 0 50 IFAA COCCN(Cc1c(C)nn(C)c1C)C(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 824396857 GMIVVWQUCIBNMN-UHFFFAOYSA-N 426.561 2.873 0 50 IFAA NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC3CCN(CCc4ccccc4)CC3)cc2)C1 1317966198 HYRYBBARVDAYKH-JOCHJYFZSA-N 434.584 2.825 0 50 IFAA CC(=O)c1cc(CC(=O)N2CCO[C@@H](CN3CCCCC3)[C@@H]2c2cnn(C)c2)cs1 1857711807 FNYICZLYGKXXFJ-UGKGYDQZSA-N 430.574 2.681 0 50 IFAA Cc1nc(O)cc(C(=O)N2CC[C@H]([C@H]3CCCN3C(=O)c3ccc(Cl)c(O)c3)C2)n1 1875361209 QCZPXPZREWSSSJ-WMLDXEAASA-N 430.892 2.617 0 50 IFAA C[C@H]1Cc2cc(-c3ccc(CNC(=O)c4ccc5c(O)nc(=O)n(C)c5n4)cc3)ccc2O1 2325706642 BWXLRRDHKBCIIQ-AWEZNQCLSA-N 442.475 2.955 0 50 IFAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)/C=C/c1cccc(F)c1)C2 11787812 NSEJDJDVLKUMOZ-BQYQJAHWSA-N 431.533 2.957 0 50 IFAA COc1cc(CNCc2ccc(Cl)s2)ccc1OC[C@H](O)CN1CCC(O)CC1 12197292 VQRFAZPYJDLBTF-QGZVFWFLSA-N 440.993 2.896 0 50 IFAA COc1cccc(-n2cc(CN(C)Cc3cnc(S(C)(=O)=O)n3CC(C)C)cn2)c1 12205147 NNMZVAJBNTVYAD-UHFFFAOYSA-N 431.562 2.769 0 50 IFAA O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCc1nc(-c2ccccc2)no1 12328707 HHXBPDXBVLBXSY-XMMPIXPASA-N 448.479 2.753 0 50 IFAA COc1cccc(CN2CCC3(CC2)C(=O)N(CCN(C)C)C(=O)N3CCC(C)C)c1 14744661 BBZYJSUNODQDFY-UHFFFAOYSA-N 430.593 2.902 0 50 IFAA CC(C)NC(=O)CN1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 19837870 TVAMQSTUHBANCI-UHFFFAOYSA-N 433.556 2.892 0 50 IFAA O=C1N[C@@H]2CCCC[C@H]2N[C@@H]1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 101961982 CXEOPBGOOGVGNI-WXFUMESZSA-N 446.595 2.710 0 50 IFAA C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(C(F)(F)F)cs1 225612982 OJWHGWGNLVJTPG-LLVKDONJSA-N 449.476 2.674 0 50 IFAA C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@@H](NS(C)(=O)=O)C1 229756110 HYTHEVIYSNDMSN-VQIMIIECSA-N 448.614 2.715 0 50 IFAA O=C1C[C@H](c2cccc(NC(=O)N[C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c2)CN1 470396031 CEMCDAIPGMNGMZ-OXJNMPFZSA-N 442.466 2.881 0 50 IFAA CS(=O)(=O)c1cccc([C@@H](NC[C@@H](O)COCC2CC2)c2ccc(F)c(F)c2)c1 490178738 QMUZUZCFSZGVAI-DYESRHJHSA-N 425.497 2.835 0 50 IFAA Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CCN(Cc3cccs3)CC2)c1 827801712 RRVCTPHUOICFAO-JOCHJYFZSA-N 440.613 2.528 0 50 IFAA CCc1cnc(C)nc1N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857702261 GEQPYVOVUJEHAI-OAQYLSRUSA-N 428.508 2.762 0 50 IFAA Cc1c(C(=O)NC2C[C@@H]3CN(C(=O)c4cn5ccnc5s4)C[C@H]3C2)sc2cncn12 2325876335 RIKICVIOYCDGOD-CHWSQXEVSA-N 440.554 2.694 0 50 IFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCCC[C@@H]2CCO)c1 11933788 UPBSWCRRGRPSKK-GOSISDBHSA-N 430.545 2.852 0 50 IFAA COC(=O)c1cc(CNC(=O)c2cccc(OC)c2)cc(NC(=O)c2cc(C)nn2C)c1 12021070 FPBLRCPAFGCYKF-UHFFFAOYSA-N 436.468 2.706 0 50 IFAA COC(=O)c1sccc1S(=O)(=O)NCc1nc(N2CCCC2)c2cccc(C)c2n1 12279159 QVUSQCXXXCOZAB-UHFFFAOYSA-N 446.554 2.865 0 50 IFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2ccc(OC)cc2OC)c1=O 12453810 NPYNCBPRCTYRKU-UHFFFAOYSA-N 427.501 2.660 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCCc1ccccc1F)C2 14751796 YFBLGIJBWRPICZ-IBGZPJMESA-N 428.552 2.840 0 50 IFAA CCC(=O)[C@@H]1CCCN(C(=O)CC[C@@]2(Cc3ccc(OC)c(OC)c3)CCC(=O)N2)C1 14879575 QBVFVJBCVSLFFZ-HOYKHHGWSA-N 430.545 2.893 0 50 IFAA COCc1c(C(=O)NCC(C)(C)CN(C)C)cnn1-c1nccc(-c2ccccc2F)n1 15005435 WTIBLZPARAXBID-UHFFFAOYSA-N 440.523 2.932 0 50 IFAA CCCN1CCC(N[C@H]2C[C@@H](C(=O)NCCOC)N(Cc3ccc(Cl)cc3)C2)CC1 23363146 WFXNHZPBHIIIJX-VXKWHMMOSA-N 437.028 2.510 0 50 IFAA CC(C)(C)c1ccccc1S(=O)(=O)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 170619824 VSZWRJSIPKXVCJ-KRWDZBQOSA-N 427.526 2.857 0 50 IFAA COc1ccc(N2C(=O)N[C@H](CCC(=O)NCCCc3nc4ccccc4[nH]3)C2=O)cc1 248139579 PGWNLBUZXZWGCR-LJQANCHMSA-N 435.484 2.526 0 50 IFAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)Nc3nc(C)c(C)s3)N=C2O)cc1OC 252551904 UKODLASTLTXOLP-OAHLLOKOSA-N 446.529 2.863 0 50 IFAA CCOC(=O)N1CCC(NC(=O)CC2(c3oc(C)cc(=O)c3O)CCSCC2)CC1 1776111488 BKMRAICAXBFHIC-UHFFFAOYSA-N 438.546 2.546 0 50 IFAA COc1ccc(C(=O)[C@@H](NCCCN2CCCCCC2=O)c2oc(C)cc(=O)c2O)cc1 1848442976 QNADPKXENDGETL-OAQYLSRUSA-N 442.512 2.969 0 50 IFAA CC(C)(O)CN1CC[C@@H](NC(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)C1 2325850023 JPNOMMSGHCBLSM-QGZVFWFLSA-N 431.924 2.954 0 50 IFAA CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(CCc1ccccc1)c1ccc(F)cc12 806625 STULAYJAHCBJQE-OAQYLSRUSA-N 426.473 2.570 0 50 IFAA COC[C@H]1CCCCN1C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12579993 QXQYBQQKBYEZEN-MRXNPFEDSA-N 444.981 2.784 0 50 IFAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@H]1CCN1CCOCC1 20453686 FUUMNESYRUQOKS-SFHVURJKSA-N 435.931 2.836 0 50 IFAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCCCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 100630920 FEERXLCCEREQFW-WCVJEAGWSA-N 425.312 2.802 0 50 IFAA CC(C)N1CCC(N2CCN(Cc3cnn(-c4cccc(F)c4)c3)C[C@H]2CCO)CC1 104361103 OBXHTDVNGCVLDW-XMMPIXPASA-N 429.584 2.753 0 50 IFAA COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(O)cc(C)n(CC(=O)O)c1=O 218424740 NDTRZNHOCSFLCR-ZDUSSCGKSA-N 429.347 2.541 0 50 IFAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3ccc(OC)cc3OC)C2=O)cc1 223215889 VBYYLMBVPLLPPK-GOSISDBHSA-N 427.457 2.552 0 50 IFAA CC(C)(C)[C@@H](CNC(=O)Cc1ccc2c(c1)OCO2)NC(=O)Cc1ccc2c(c1)OCO2 225623874 JXRNISPKOJKJFC-OAQYLSRUSA-N 440.496 2.576 0 50 IFAA C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc(F)c2)c1 497150546 UJXKUYMXCOMULX-OAHLLOKOSA-N 433.505 2.757 0 50 IFAA O=C(C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CCc2cccc(F)c2C1 767424626 IFOOMNGSLXKNCN-UHFFFAOYSA-N 427.501 2.572 0 50 IFAA Cc1cc(C)cc(-n2ncc([C@H]3NC(=N)Nc4nc5cc6c(cc5n43)OCCCO6)n2)c1 781102636 IGJBKHPSGUFZRE-FQEVSTJZSA-N 430.472 2.892 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2n[nH]c3c2CCCCC3)C1 1857693201 MMWQJWPVZPKVOX-OHUGHZGNSA-N 443.636 2.508 0 50 IFAA O=C(N[C@@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 1170463 WAMYHPVYOFPIMH-LBPRGKRZSA-N 431.172 2.973 0 50 IFAA CCOC(=O)[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@]1(C)O)OCO3 3053226 LXOGFILEDJYPBT-JTAQYXEDSA-N 446.452 2.853 0 50 IFAA Cn1c(=O)c2c(nc(NC3CCCC3)n2Cc2cccc(Br)c2)n(C)c1=O 8636970 XPIWIIQZULHNLF-UHFFFAOYSA-N 432.322 2.599 0 50 IFAA COc1ccc2ccccc2c1CNC(=O)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12458757 CVDVNXQXKIHSMZ-IBGZPJMESA-N 437.540 2.716 0 50 IFAA COc1cc(CN(Cc2cnn(C)c2)C(C)C)ccc1OC[C@H](O)CN1CCSCC1 12465646 IJXIHXIVZDHBOU-OAQYLSRUSA-N 448.633 2.628 0 50 IFAA O=C(NCCN1CCOC1=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 14949490 AWVHERIFBUTWEE-UHFFFAOYSA-N 437.540 2.955 0 50 IFAA CSc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C(=O)N1CCCC1 16649095 CGAWTNSPDQJYKJ-UHFFFAOYSA-N 431.539 2.792 0 50 IFAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C(=O)NC(C)C 16650350 KKBXJTPDHHGGGV-UHFFFAOYSA-N 445.541 2.870 0 50 IFAA COc1cccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)c1 55153569 DZQOIQBDSCZABI-FQEVSTJZSA-N 449.473 2.763 0 50 IFAA CCN(Cc1ccncc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 55245320 KAQQRBUTKTYQIO-LJQANCHMSA-N 434.462 2.840 0 50 IFAA O=C(COc1ccc(F)cc1)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169778029 RTESRQUJAQACGT-KRWDZBQOSA-N 434.431 2.987 0 50 IFAA CCOC(=O)[C@H](Cc1ccccc1)N(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 170623616 ONIJQSYBOHYJHV-QHCPKHFHSA-N 439.556 2.564 0 50 IFAA C[C@@H](CCC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C 225496674 YJTLVQVMOJLAEW-ZFWWWQNUSA-N 440.566 2.752 0 50 IFAA CN(C)CC(=O)Nc1cccc(CN[C@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 225632400 CDEBJPITIWHFOU-IFMALSPDSA-N 446.592 2.691 0 50 IFAA CNS(=O)(=O)CCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1Cl 242339258 ZGHDRHMYPWPQDD-KRWDZBQOSA-N 431.986 2.873 0 50 IFAA C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 253370890 XOUMAVHDOVUKIT-JVGYHMDPSA-N 442.537 2.877 0 50 IFAA C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@@H](C(F)(F)F)CC2 253496190 SPDQRCUBFSRAFI-IUODEOHRSA-N 443.857 2.858 0 50 IFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 263585423 IJUXQFRPWFPVRR-NXYDZRKXSA-N 427.589 2.946 0 50 IFAA biogenic Cc1ccc(N2C(=O)/C(=C\NNc3nc(O)c4cnn(C)c4n3)c3ccccc3C2=O)cc1 769776716 NUGJDGPULBOOAG-BOPFTXTBSA-N 441.451 2.522 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)N[C@H]1CCc2nc[nH]c2C1 1875288232 SZAUCYDVKNRBEG-GJZGRUSLSA-N 443.515 2.558 0 50 IFAA CCC(CC)C(=O)NCC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccc(N)c(Cl)c2)C12CCC2 1875362406 CYKFTXWYSGZPDU-QZTJIDSGSA-N 434.968 2.632 0 50 IFAA COC(=O)[C@@]1(NC(=O)[C@H](N)Cc2c(F)cccc2Cl)CCCN(Cc2ccccc2)C1 1875383235 MBEPFNPIVKUMJQ-NFBKMPQASA-N 447.938 2.673 0 50 IFAA Cc1cc2ncc(C(=O)N(C)Cc3nc(-c4nnc(-c5ccccc5)o4)no3)c(C)n2n1 2325749852 SLEIRZKRPAMMCV-UHFFFAOYSA-N 430.428 2.718 0 50 IFAA Cc1ccccc1NC(=O)C1(N(Cc2ccco2)C(=O)Cn2nnnc2N)CCCCC1 970331 WTSZLOPEDLZXJT-UHFFFAOYSA-N 437.504 2.527 0 50 IFAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCc2ccc(Cl)s2)c1 11843500 SQGOEPBBLSFNHZ-QGZVFWFLSA-N 440.993 2.896 0 50 IFAA CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 11999975 VEIZUDWVFOQSRA-DEOSSOPVSA-N 445.567 2.789 0 50 IFAA CC[C@@H]1C(=O)NCCN1C(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 12582296 SMIPUCMLHCVXAY-OAQYLSRUSA-N 429.561 2.832 0 50 IFAA C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101146052 XSNLHIWRTQZZSU-ZMPPFODHSA-N 434.286 2.595 0 50 IFAA COc1ccc(S(=O)(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c(C)c1C 170609132 NBSCJJWQNLLZKD-UHFFFAOYSA-N 431.558 2.810 0 50 IFAA CN(C)CCn1cnc2cc(NC(=O)CC[C@H]3NC(=O)c4ccccc4N=C3O)ccc21 252540145 OTZZDDSITCUCDX-GOSISDBHSA-N 434.500 2.717 0 50 IFAA COc1ccc(-c2nn3ccn(Cc4nc(-c5ccsc5)no4)c(=O)c3c2CO)cc1 263616577 JMQBZBBJOKRWCG-UHFFFAOYSA-N 435.465 2.824 0 50 IFAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5C)CC4)c3CO2)cc1 263618031 QYEHMZHVSXLLOU-JOCHJYFZSA-N 433.512 2.829 0 50 IFAA COc1ccccc1N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263618082 RDVHHWVHYONEEP-OAQYLSRUSA-N 437.475 2.660 0 50 IFAA CSCC[C@@H](NC(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 409414842 POXGVPCUSCHJNK-MSOLQXFVSA-N 437.525 2.988 0 50 IFAA Cc1ccc2nc([C@H]3CCCN(C(=O)C4=NN(c5ccccc5)C(=O)[C@H](C)N4)C3)[nH]c2c1 752854478 GKLVOWKICRMOKX-IRXDYDNUSA-N 430.512 2.916 0 50 IFAA CCCCc1ncc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)[nH]1 2100548182 WVARZNBXLXNCTB-UHFFFAOYSA-N 426.565 2.565 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccccc1 759198 ZAJLSEUBSNVJEO-PHJXOXRPSA-N 434.517 2.807 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccc(F)cc1 1179001 ZVFLDMNTYPKGIC-QMJOVRGKSA-N 428.510 2.999 0 50 IFAA COc1ccc(CCN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1OC 1261300 DOWHGGUYVABZHD-KRWDZBQOSA-N 445.516 2.842 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cc4ccccc4[nH]2)CC3)cc1 12157366 ZFWQQLCMPJEFNI-UHFFFAOYSA-N 444.539 2.799 0 50 IFAA O=C1CC[C@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)CN1CCc1ccc(Cl)cc1 12749384 XWDAOAPGOPQLLZ-IBGZPJMESA-N 439.943 2.997 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C)s2)CC3)cc1 14888160 JGSMCGBHGFWKHE-UHFFFAOYSA-N 425.558 2.687 0 50 IFAA Cn1[nH]c(=O)c2c(C(=O)Nc3ccc(Cl)c(CN4CCOCC4)c3)cc(C3CC3)nc21 225490342 PGTXHTARFHGQJG-UHFFFAOYSA-N 441.919 2.877 0 50 IFAA CCn1nccc1CN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 225673261 OZCOWBMZIGWZGF-UHFFFAOYSA-N 425.455 2.829 0 50 IFAA Cc1cc(C)n(Cc2cccc(C(=O)NCC[C@](O)(c3nccn3C)C(F)(F)F)c2)n1 303031361 PUTPERKQMQBYGF-FQEVSTJZSA-N 435.450 2.852 0 50 IFAA O=C(O)CC[C@@]12CCC(=O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 408525831 SPYWAXJVUZUZRL-QFIPXVFZSA-N 438.390 2.909 0 50 IFAA O=C([C@H]1CCc2ccccc21)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857733131 WRMNMLOAFHGQNH-IBGZPJMESA-N 434.540 2.555 0 50 IFAA OC[C@H](Cc1ccc(I)cc1)N=c1ccnc(-c2cccc(O)c2)[nH]1 2325839976 KUSSNVCSHIKYLG-INIZCTEOSA-N 447.276 2.891 0 50 IFAA CO[C@H](C)CC(=O)N1CCC([S@](C)(=O)=NC(=O)C2=Cc3cc(F)ccc3OC2)CC1 2332238709 ISRSAIIUBUPTSJ-WYIRRWHOSA-N 438.521 2.642 0 50 IFAA COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1OC 2064803 VKFIQECAMILXDZ-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA O=C(NCCO)C1CCN(c2cccc3c2C(=O)N(C2CCCCCCC2)C3=O)CC1 12217838 LBCQMVCXPPMVNU-UHFFFAOYSA-N 427.545 2.720 0 50 IFAA COc1ccc(CNCCCOc2cccnc2)cc1OC[C@H](O)CN1CCCCC1 12304008 CJXMBXBURNVITF-OAQYLSRUSA-N 429.561 2.875 0 50 IFAA COc1ccc(C(=O)N[C@@H](C)Cn2nc(C)cc2C)cc1OC1CCN(C(C)=O)CC1 15069811 UDDGDFRIQYMUSW-INIZCTEOSA-N 428.533 2.717 0 50 IFAA c1cc2c(cc1CN1CCN([C@H]3CCCN(Cc4ccc5nonc5c4)C3)CC1)OCO2 19739631 MBPMZHIYLPYXSB-FQEVSTJZSA-N 435.528 2.734 0 50 IFAA O=C1CC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)CN1CCCN1CCOCC1 19839268 BZTNTINBHLKDAR-DEOSSOPVSA-N 441.616 2.819 0 50 IFAA Cc1nnsc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 23338692 ITRWCZAVLOXVDF-FQEVSTJZSA-N 441.601 2.823 0 50 IFAA CN(C(=O)CN1CCCn2nc(C(=O)Nc3ccc(F)cc3)cc2C1=O)c1ccccc1 169759568 MAPCRDNQLGDFLE-UHFFFAOYSA-N 435.459 2.783 0 50 IFAA COc1ccc(-c2nc(CS(=O)(=O)c3nnc(C4CC4)n3Cc3ccco3)no2)cc1 225684551 AZMDDQZRIGBQGY-UHFFFAOYSA-N 441.469 2.829 0 50 IFAA CN1CC[C@H](NCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)[C@H]1c1ccccc1 225845725 HANQKENKIZAUFV-JTHBVZDNSA-N 438.597 2.849 0 50 IFAA COc1ccc(-c2cc(=NC(=O)Cc3cccs3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158569 VMWTUKCGSXRSAW-OAHLLOKOSA-N 431.539 2.583 0 50 IFAA COCC(=O)N1[C@H]2CC[C@@H]1C[C@]2(Cc1cscn1)C(=O)NCc1ccc(F)c(C)c1 1704302990 UVFQKDSWUNGWHJ-LZNRXBQRSA-N 431.533 2.846 0 50 IFAA C[C@H]1Cc2cc(N)ccc2N1Cc1ccoc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 2325899705 RVFYDPGSDPNDKH-ZDUSSCGKSA-N 426.498 2.713 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)cc3OC)CC2)cc1 783992 UHLTYVZBBLUADP-UHFFFAOYSA-N 434.514 2.752 0 50 IFAA CCc1ccc(S(=O)(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)s1 12053179 BYWOKNIJIFYEMX-CYBMUJFWSA-N 434.630 2.751 0 50 IFAA COc1cc(CNCCCN2CCOCC2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12704569 ZGPRANIPTWEGOJ-QHCPKHFHSA-N 449.636 2.511 0 50 IFAA Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)nn2)n1 13009466 UMVIGTFSLYCTER-UHFFFAOYSA-N 440.573 2.715 0 50 IFAA CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cn1 17100294 YQTAJSCDYYAFPZ-UHFFFAOYSA-N 436.515 2.513 0 50 IFAA CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O 229897136 ZTJBMVGUEXXISD-HFZDXXHNSA-N 446.551 2.797 0 50 IFAA COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3ncc[nH]3)[C@H]21 253413315 ULVQQFWVSXICRX-FQEVSTJZSA-N 447.451 2.571 0 50 IFAA biogenic CC(C)OCCN1CCC(NC(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)CC1 475251064 ZJXYCHBIMGDIFA-UHFFFAOYSA-N 437.544 2.960 0 50 IFAA CN1C(=O)CN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c2ccccc21 748684277 ACIUIQKHIXAXLX-RUZDIDTESA-N 442.475 2.616 0 50 IFAA C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC([S@](C)(=O)=NC(=O)c3ccc4nonc4c3)CC2)[C@@H]1C 2332238638 GFVUORNONMOQGP-GDXAMZSQSA-N 448.545 2.511 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2OC)cc1 784217 YOCIOBDZSYKILN-UHFFFAOYSA-N 441.509 2.611 0 50 IFAA O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1 6998329 DJTZFUZXIMUCDL-UHFFFAOYSA-N 425.304 2.722 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1cccs1 8424760 HAAXBSWVXZCUNO-XYSGSMRZSA-N 440.546 2.868 0 50 IFAA COc1ccc(-c2noc(CN3CCC(C(=O)N4CCCCC4)CC3)n2)c(OC)c1OC 11880066 SGXQDAOGISGAEP-UHFFFAOYSA-N 444.532 2.987 0 50 IFAA Cc1nnsc1C(=O)NC[C@@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 12282510 ZYQUBMZZWTUXPL-HNNXBMFYSA-N 429.523 2.651 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3cccc(F)c3)cc2OC)CC1 19741577 UNEMSWZRUHIWCH-JOCHJYFZSA-N 431.552 2.501 0 50 IFAA CCn1cc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c(C)n1 22919871 QAVHRIWBHXVUSU-JOCHJYFZSA-N 425.577 2.722 0 50 IFAA CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCOCC2)nn1 65362582 FJEFZWLWRFZELA-QGZVFWFLSA-N 434.500 2.680 0 50 IFAA COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)c1cnn(-c3ccccc3F)c1C(F)(F)F)C2 252482466 DGIHMTVQNFJEJN-HXPMCKFVSA-N 441.381 2.682 0 50 IFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 426198466 JIOJWPXXGJJMIR-NDGOVFEZSA-N 431.939 2.866 0 50 IFAA C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCOC2(CCS(=O)(=NC(=O)[C@@H]3CCOC(C)(C)C3)CC2)C1 2332238222 HEIKMMFRPDSIPI-HAVXPPCASA-N 440.606 2.670 0 50 IFAA COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1 1079793 SUALEWGUDADCLE-UHFFFAOYSA-N 434.558 2.676 0 50 IFAA Cc1c(Cl)cccc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O 1147594 VMOTXVCWLQVDHQ-UHFFFAOYSA-N 439.940 2.902 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1cccs1 8425299 APNHBUKSBRIQBQ-QIPHDZALSA-N 428.510 2.999 0 50 IFAA CN(CCc1cn[nH]c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 11873084 FVSLTJWPLHNWBI-HSZRJFAPSA-N 447.539 2.594 0 50 IFAA CCOC(=O)[C@@H]1CCCN(C2CCN(Cc3cc4ccc(OC)cc4n(C)c3=O)CC2)C1 12035176 IIPACAUBYLRYOT-LJQANCHMSA-N 441.572 2.787 0 50 IFAA Cc1ccc(CN(C)C(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)o1 12372868 YMNHGEWBGXVKJQ-UHFFFAOYSA-N 435.546 2.510 0 50 IFAA O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1nc(CS(=O)(=O)c2ccccc2)no1 12376823 GZOOGPLRKFPATG-UHFFFAOYSA-N 445.541 2.759 0 50 IFAA Cc1ccn(CCC(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3cccc(F)c3)C2)n1 14534241 GGRCFJUMPJJOFO-OAQYLSRUSA-N 430.524 2.633 0 50 IFAA CCOC(=O)COc1c(Cl)cc([C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 16361710 MQTCEPFFLDPPNK-MRXNPFEDSA-N 442.921 2.646 0 50 IFAA CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 19632044 TVGPHORONINCNX-UHFFFAOYSA-N 440.562 2.818 0 50 IFAA CCC(=O)N(Cc1ccncc1)Cc1cc(OC)c(OCCN2CCOCC2)c(OC)c1 20453879 VFLUPFBDYUUFOO-UHFFFAOYSA-N 443.544 2.749 0 50 IFAA CCCCN(C(=O)CN1CCC[C@@H]2CCC[C@@H](C)[C@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O 230032343 WFTCTBMYTZPMNR-ZIFCJYIRSA-N 433.597 2.563 0 50 IFAA C[C@H](NC(=O)[C@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 253370889 XOUMAVHDOVUKIT-ABXWHYIOSA-N 442.537 2.877 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1CCc2nc[nH]c2C1 1875287843 CDNYSRXOAJCICC-CABCVRRESA-N 428.500 2.623 0 50 IFAA Cn1cccc(C(=O)N2CCC3(CC(NC(=O)c4c(F)ccc(F)c4Cl)C3)C2)c1=O 1875327405 UXNGMXPAEIXKAD-UHFFFAOYSA-N 435.858 2.742 0 50 IFAA Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3cccc(NC(=O)C(F)(F)F)c3)C2)no1 1875332863 OLLOSEDUOVVYEN-GFCCVEGCSA-N 432.424 2.522 0 50 IFAA Cc1nc(N2CCC(N[C@@H]3CCOC(C)(C)C3)CC2)nc2cc(S(C)(=O)=O)ccc12 11840094 ZODVLKARVZDUST-QGZVFWFLSA-N 432.590 2.858 0 50 IFAA CCOC(=O)CCNC(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 12718403 PSVWTZVDRCJPIX-HNNXBMFYSA-N 425.476 2.736 0 50 IFAA CC[C@@H](C)OC(=O)c1c(NC(=O)Cn2cnc3c(cnn3C)c2=O)sc2c1CCCC2 20607112 ZYOXCTQFSOLTLW-GFCCVEGCSA-N 443.529 2.664 0 50 IFAA Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1C 20775074 STJYJDIHYUHFIX-IRLDBZIGSA-N 425.577 2.803 0 50 IFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 229998898 YWBPPUGIRVBOCM-FTIBCMOBSA-N 426.513 2.753 0 50 IFAA COc1ccc(OC)c2c1CN(C(=O)c1cn(-c3cccc(C(F)(F)F)c3)nn1)C[C@H]2O 739495272 WETRSZCNWZDATD-MRXNPFEDSA-N 448.401 2.993 0 50 IFAA CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 918638538 ZUAJMZIVKXEUSJ-QHCPKHFHSA-N 446.551 2.697 0 50 IFAA O=C(NC[C@H]1CCC2(CCN(C(=O)CCn3cnc4ccccc43)CC2)O1)c1ccco1 952987482 DWBYAMJYCOPBAO-GOSISDBHSA-N 436.512 2.990 0 50 IFAA COc1ccc(S(=O)(=O)N=[S@](C)(=O)C2CCN(C(=O)C34CC(C3)C4)CC2)c(C)c1 2332238505 BBFVWTZDNHGERW-BWSFUMISSA-N 440.587 2.581 0 50 IFAA CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O 3806104 COKMIXFXJJXBQG-NRFANRHFSA-N 440.606 2.951 0 50 IFAA fda CCc1ccc(-n2c(-c3cccc(OC)c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9060248 FOZCGKWZGSJAPQ-UHFFFAOYSA-N 429.480 2.914 0 50 IFAA Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCOCC3)c2C)cc1 13678342 QFTUOCXTGHRTKL-UHFFFAOYSA-N 431.558 2.556 0 50 IFAA Cc1ccc(C(=O)N/C(=C/c2sccc2C)C(=O)NCCCN2CCOCC2)cc1 33932241 LOZMLXMNJWVBHE-CAPFRKAQSA-N 427.570 2.974 0 50 IFAA COC(=O)N1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CC1 225517026 WNPNBTPVEZVYHU-UHFFFAOYSA-N 435.477 2.587 0 50 IFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1ccc(N3CCOCC3)c3nonc13)[C@@H]2C(=O)O 225749538 AQSHUXMEBUYNTN-XHSVMWQWSA-N 426.473 2.691 0 50 IFAA COc1cccc2c1OC(=O)[C@@H]1[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@@H]2[C@@H]43)[C@@H]1C(=O)O 239338776 LETQKJKEXLWDSX-LPLNUDOESA-N 431.491 2.553 0 50 IFAA Cc1nnnn1CCC(=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857688942 RSFAEMTYVPIBGG-QFIPXVFZSA-N 440.592 2.860 0 50 IFAA CN1CC2(CCN(S(=O)(=O)c3oc4ccccc4c3Br)CC2)OC1=O 2325818540 IGGMMQNYULAMJO-UHFFFAOYSA-N 429.292 2.801 0 50 IFAA COc1cc(OC)c2cc(C(=O)N[C@H](C)C(=O)Nc3nc(C(C)=O)cs3)[nH]c2c1OC 2325854721 RISOAXLGHXCHOG-SECBINFHSA-N 446.485 2.610 0 50 IFAA COc1ccc([C@H](CC(=O)O)N2CCN(CCCc3ccc4c(n3)NCCC4)C2=O)cn1 1490256 HGFOOLONGOBCMP-IBGZPJMESA-N 439.516 2.730 0 50 IFAA in-vitro COc1ccc(C2=NO[C@@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1OC 6577637 JDTKWGLGXUWTFV-HXUWFJFHSA-N 436.468 2.633 0 50 IFAA O=C1NCCN(Cc2ccc3ccccc3c2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 11821412 DIXFTTKCWIPKRJ-VWLOTQADSA-N 442.563 2.879 0 50 IFAA CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 12123604 HJJAFWWWFZKAOV-IBGZPJMESA-N 433.603 2.797 0 50 IFAA Cc1c(C(=O)NCCc2ccccc2)sc2ncnc(NC[C@H]3CCS(=O)(=O)C3)c12 12332330 SOEDPOTYRQUYDS-MRXNPFEDSA-N 444.582 2.819 0 50 IFAA CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 15943280 ITEDZYPBKAVXRB-MGPUTAFESA-N 434.558 2.871 0 50 IFAA CCCc1cc(C(=O)N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)no1 20450302 TZIOHGODYDBYKP-IBGZPJMESA-N 440.544 2.778 0 50 IFAA COc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)cc1 44069160 WHYAFYRMODYSLP-ZFVIQDPVSA-N 444.480 2.845 0 50 IFAA in-vitro COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Cc3cn4ccsc4n3)C2)CC1 55100093 DAHPYPBXFHVYPC-LJQANCHMSA-N 439.585 2.760 0 50 IFAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)nn2)n1 67629981 ZHLYNHLWSAWGPJ-UHFFFAOYSA-N 442.520 2.882 0 50 IFAA COc1cccc(NC2CCN(c3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)CC2)c1 170624890 PYSFMEBLYJNFSM-UHFFFAOYSA-N 438.571 2.583 0 50 IFAA O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F 170629081 OXPLPESWJYPFFV-SWLSCSKDSA-N 435.224 2.996 0 50 IFAA C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 221951776 ORNKGMGINKCJMU-ZQPHNONSSA-N 440.949 2.782 0 50 IFAA CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@]3(CCCC[C@H]3C)C1=O)O[C@@H](C)C2 229700338 MJKFMUXNDIJRQZ-USGALAMMSA-N 429.517 2.526 0 50 IFAA Cn1nc(CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)c2ccccc2c1=O 299754383 FRVAKXNDVPTLIH-XYOFRCHLSA-N 432.568 2.898 0 50 IFAA biogenic CCN1CCC[C@@H](C(=O)NCc2nc(-c3ccccc3NS(=O)(=O)CC)oc2C)C1 299755990 AZYGBXGRALSQHH-MRXNPFEDSA-N 434.562 2.760 0 50 IFAA Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1 479272777 DFGVHRQGVBKWGE-LJQANCHMSA-N 444.597 2.792 0 50 IFAA COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cc1 846193 WPDOCWCLSKMEDG-OAQYLSRUSA-N 439.512 2.561 0 50 IFAA COC(=O)c1c(NC(=S)N2CCN(c3ncccn3)CC2)sc2c1CC[C@@H](C)C2 1118010 XYERRKCFGODVIM-CYBMUJFWSA-N 431.587 2.969 0 50 IFAA CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)CSc1ncccn1)C2 14732462 MEYMUAKGCXWPKM-UHFFFAOYSA-N 442.589 2.679 0 50 IFAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCO[C@@H](c4ccccc4)C3)n2)cc1OC 44917764 VTSASULZSFKJOP-JOCHJYFZSA-N 435.480 2.528 0 50 IFAA COc1ccc(CN2C=C(C(=O)OCc3ccc(OC)c(F)c3)C(C)=NS2(=O)=O)cc1 169755182 PNNNJQXNKVSQER-UHFFFAOYSA-N 448.472 2.992 0 50 IFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccc4c3ccn4C)C2=O)cc1OC 206230809 ZUWJEYUMBUGFCT-QGZVFWFLSA-N 436.468 2.645 0 50 IFAA CC(=O)N[C@@H]1[C@H](Oc2ccc3ccccc3c2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 250763596 XCMZMJFBJIDKSB-WEJAWSEMSA-N 435.476 2.923 0 50 IFAA O=C(c1ccc2[nH]cnc2c1)N1CCN(c2nc(-c3ccccn3)nc3c2CCC3)CC1 301831188 SLJJLJFQGMOOKW-UHFFFAOYSA-N 425.496 2.866 0 50 IFAA CC[C@@](O)(C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(Cl)c1 800451862 NIRSDJKLXOCGAB-NRFANRHFSA-N 436.961 2.861 0 50 IFAA CC[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1 952972373 VJVKZHNZTXGYJT-QGZVFWFLSA-N 432.528 2.947 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCn2nc(C)c(C)c2C)C1 1857686389 UIOWOJQXCMOULI-GIFXNVAJSA-N 445.652 2.528 0 50 IFAA COC(=O)COc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2OC)c2ccccc12 2325776112 OCSRVVMDNODDLD-UHFFFAOYSA-N 445.449 2.899 0 50 IFAA O=C(c1nnc2n1CCCC2)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356162431 JZTRZSWHWBRMSG-DYXWJJEUSA-N 429.524 2.819 0 50 IFAA CCOc1ccc(CN2C[C@@H](n3cnnn3)C[C@H]2C(=O)NCc2ccccc2Cl)cc1 64045350 JXXBJKZKKJNERR-RXVVDRJESA-N 440.935 2.857 0 50 IFAA C[C@@H]1CN(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C[C@@H]1N1CCOCC1 435104760 HFWHBQTXPMMBFK-XXBNENTESA-N 436.556 2.844 0 50 IFAA COc1cc(OC)cc(N2CC[C@@H](N(C)S(=O)(=O)c3cccc4cnccc34)C2=O)c1 479219650 HSFWYROYSJXPKW-HXUWFJFHSA-N 441.509 2.678 0 50 IFAA COc1cc2c(cc1CN[C@@H]1C3CN4CCN(C3)CC1(c1ccccc1)C4)OCCCO2 952971557 SLGBONOICFUBLO-XXBILOIISA-N 435.568 2.514 0 50 IFAA O=C(CCn1cnnn1)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857688862 RCZQNCYDPNQOSG-OAQYLSRUSA-N 426.565 2.552 0 50 IFAA Cc1nc(-c2cccc(C(=O)N3CC[C@@]45O[C@H](c6ccccc6)CN4C(=O)C[C@@H]35)c2)no1 1857734953 ABUHVPGONLZCIL-ROKPMTFOSA-N 430.464 2.960 0 50 IFAA O=C(O)C[C@]1(NC(=O)CCCn2cc(-c3cccc(C(F)(F)F)c3)nn2)CCCOC1 1875354510 YITQHJZUCHCUEW-LJQANCHMSA-N 440.422 2.884 0 50 IFAA CCc1nn(C)c(CC)c1CC(=O)N=[S@@](C)(=O)C1CCN(C(=O)CC2(C)CC2)CC1 2332238726 JLNWYOKLERHYAX-PMERELPUSA-N 436.622 2.893 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)cc1 1173425 RXOJTGARJCFNTK-UHFFFAOYSA-N 425.304 2.722 0 50 IFAA CCOC(=O)c1sc(NC(=S)N2CCC3(CC2)OCCO3)c(C(=O)OCC)c1C 2850829 FFILFXMWTPYLCR-UHFFFAOYSA-N 442.559 2.946 0 50 IFAA O=C1N[C@](c2ccccn2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1C[C@@H]1CCCO1 11995395 HNDAROMBKCTVHZ-OFVILXPXSA-N 434.540 2.920 0 50 IFAA COc1cccc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)c4ccncc4)CC3)O2)c1OC 12452071 RZXLWVVKILVFIR-SFHVURJKSA-N 439.512 2.683 0 50 IFAA COC(=O)c1c(-c2ccc(OC)cc2OC)csc1NC(=O)CSCC(=O)O 17094422 FMNQBLVKNWAOAR-UHFFFAOYSA-N 425.484 2.975 0 50 IFAA COc1ccc(-n2cc(CN3CCN(CCC(N)=O)CC3)c(-c3cccc(F)c3)n2)cc1 19340514 UPJFJIIPYIOXPJ-UHFFFAOYSA-N 437.519 2.680 0 50 IFAA O=C([C@@H]1CCOC1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 19739927 IDEUQARRUFRYKP-TWGGJPRRSA-N 437.584 2.509 0 50 IFAA Cc1ccc(-c2ccnc(-n3ncc(C(=O)NCCCN4CCOCC4)c3C3CC3)n2)o1 19746025 SKUPKSHWLJDNHA-UHFFFAOYSA-N 436.516 2.560 0 50 IFAA O=C(NCc1ccccn1)C1CCN(C2CCN(Cc3cccc4nonc34)CC2)CC1 55252516 GRHNPDODIGQSRO-UHFFFAOYSA-N 434.544 2.611 0 50 IFAA O=C1O[C@@H](C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)Cc2ccccc21 170626747 YHRRBSVHAGAKDG-DLBZAZTESA-N 434.370 2.588 0 50 IFAA NC(=O)c1cc(CNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)on1 466460696 DNOXTOSGBHRLNC-QGZVFWFLSA-N 426.860 2.605 0 50 IFAA COCc1noc(CN2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(OC(F)(F)F)cc3)CC2)n1 481089795 YXQXIWFINJOIFK-JKSUJKDBSA-N 440.422 2.563 0 50 IFAA C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cccc(-n2[nH]nnc2=N)c1 1298395173 IDJAFSCDPMUNOK-SJCJKPOMSA-N 432.406 2.696 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCOCc2ccccc2)C1 1857690436 CNELJCXSQWQOHT-GIFXNVAJSA-N 429.605 2.532 0 50 IFAA C[C@H](c1ccc(S(=O)(=O)N(C)C)cc1)c1nc(-c2ccc3ncnc(O)c3c2)no1 2325736409 FJVAYOMBUZMWKH-GFCCVEGCSA-N 425.470 2.788 0 50 IFAA O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 2325816945 WICJVXNHAMPPPO-BGYRXZFFSA-N 447.318 2.971 0 50 IFAA Cc1ccccc1-n1c(=O)c2c3c(sc2n2c(SCC(N)=O)nnc12)CCCC3 986176 JBQMYJMBBVCVJJ-UHFFFAOYSA-N 425.539 2.860 0 50 IFAA CCNC(=O)C[C@@H]1C(=O)N(Cc2ccc(F)cc2)C(=S)N1Cc1ccc(OC)cc1 1069922 HZLGFKZURIWAOO-LJQANCHMSA-N 429.517 2.858 0 50 IFAA Cc1cc(C)nc(NC(=N)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)n1 2847030 BFGCJKWVDYHJAJ-UHFFFAOYSA-N 426.506 2.760 0 50 IFAA CCCN1CCC(N2C[C@H](NCc3ccc(SC)cc3)C[C@H]2C(=O)NCCOC)CC1 20272260 GUFWGEYSIOVTRU-OFNKIYASSA-N 448.677 2.578 0 50 IFAA COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 36056657 PRTCGQRTMLEBJQ-FRQCXROJSA-N 438.358 2.528 0 50 IFAA O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1Cc1ccccc1 137969883 RRORDPXZKYSTKN-MTPWMDRRSA-N 437.499 2.850 0 50 IFAA CCOC(=O)[C@H](Cc1ccncc1)NC(=O)COc1cccc(NC(=O)c2ccco2)c1 170608952 POFWGIQXWBXZJE-IBGZPJMESA-N 437.452 2.596 0 50 IFAA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 886025670 RRQSDKQBRNZHRR-WOJBJXKFSA-N 432.480 2.811 0 50 IFAA Cc1c(C(=O)N=[S@](C)(=O)C2CCN(C(=O)Cc3ccoc3)CC2)ccc2cncn12 2332238945 QXQRHQVDIVDMKV-SSEXGKCCSA-N 428.514 2.707 0 50 IFAA COc1ccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1Cl 824245 XRYLJJKSCOLDID-UHFFFAOYSA-N 428.894 2.771 0 50 IFAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1ccc(N2CCOCC2)c2nonc12 2780827 AIZFLXXTAKIPCK-UHFFFAOYSA-N 430.774 2.717 0 50 IFAA COc1ccc(COn2c(=O)c(-c3ccc(OC)cc3OC)[n+]([O-])c3ccccc32)cc1 2844381 JBWCVDBBEDPWTJ-UHFFFAOYSA-N 434.448 2.957 0 50 IFAA O=C(NC1CC1)c1cn(C2CCCCC2)cc(C(=O)N(CCO)Cc2ccccc2)c1=O 12161613 RHOLGFOSWNDMPW-UHFFFAOYSA-N 437.540 2.880 0 50 IFAA COCCCn1c(CN2CCC(c3nc4ccccc4o3)CC2)cnc1S(C)(=O)=O 12299566 WQACLSOJDVQTIC-UHFFFAOYSA-N 432.546 2.844 0 50 IFAA Cc1nc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cs1 19229076 GTYBLCVPELPGKR-GOSISDBHSA-N 428.558 2.603 0 50 IFAA CN1CCN(c2ccc(NC(=O)c3cc(N(C)S(C)(=O)=O)ccc3Cl)cc2)CC1 67621909 IMBDMZMNZZHHRU-UHFFFAOYSA-N 436.965 2.740 0 50 IFAA O=C(NCCN1c2ccccc2NS1(=O)=O)c1cccc(NC(=O)c2cccs2)c1 170601726 BTGRZZKDSJOYEO-UHFFFAOYSA-N 442.522 2.907 0 50 IFAA CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C(C)=O)N4c5ccc(C)cc5C=C[C@H]4[C@@H]3C2=O)cc1 245256512 QFOXYBRIWZFRPC-CWBXHPNXSA-N 430.460 2.899 0 50 IFAA C[C@H](O)CN1CCN(C(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C[C@H]1C 252477239 KMMNOWGASBKASI-KGLIPLIRSA-N 448.917 2.884 0 50 IFAA O=C(NC1CCN(Cc2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1)C1CCCC1 263615881 FRZOQJQXMLPMNR-JOCHJYFZSA-N 427.524 2.960 0 50 IFAA COc1ccc(-c2cc(=NC(=O)c3cc(C)oc3C)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158294 DYRDREQEDUHWGH-INIZCTEOSA-N 429.498 2.802 0 50 IFAA CSCC[C@H](C(=O)NCCc1nc2ccccc2[nH]1)n1c(O)nc2ccccc2c1=O 888088851 UPYPEIPDSFDZRC-GOSISDBHSA-N 437.525 2.632 0 50 IFAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F 1506419897 LKZYCRSCUBTQFF-NSHDSACASA-N 432.901 2.589 0 50 IFAA CC[C@H]1[C@@H](C(=O)OC)C[C@H]2CN(C(=O)Cc3coc4c(C)c(C)cc(C)c34)CC(=O)N21 1857725363 SOHFGVOIMXPMBZ-FHWLQOOXSA-N 426.513 2.911 0 50 IFAA CC[C@@H]1CCc2sc(C(=O)NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)cc2C1 2325732281 HXWLTOADQGOKHQ-CYBMUJFWSA-N 446.550 2.619 0 50 IFAA O=C(N[C@H]1CCCN(c2ccc(F)cc2F)C1=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 2325827285 BIMJCGAETQKKGM-AEFFLSMTSA-N 434.487 2.551 0 50 IFAA COc1cc(CNc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)NC1CCCCC1 624134 KCLFAJJUUWJFFT-UHFFFAOYSA-N 447.557 2.782 0 50 IFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1 953246 JRLXOMNQGDEEBN-GOSISDBHSA-N 445.541 2.924 0 50 IFAA COC(=O)c1c(NC(C)=O)c2cc(N[C@@H](C)CC(C)(C)O)cnc2n1C[C@H]1CCCO1 14534485 NOLFIUAUDLGUFS-XJKSGUPXSA-N 432.521 2.922 0 50 IFAA CN(C)CCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccccc2)C1 14753845 AOGMLRAERAKUTJ-LEWJYISDSA-N 440.563 2.970 0 50 IFAA CN(CCOc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55575339 FDLVMZARXBXHRS-HXUWFJFHSA-N 449.473 2.933 0 50 IFAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2)cc1 251264394 HXRQYVSXVJSWCD-DDTUGOMQSA-N 447.645 2.926 0 50 IFAA CC(C)=CC(=O)N1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N([C@@H]3CCOC3)C2=O)CC1 299765923 ZOYKSLOISQDFIU-YKSBVNFPSA-N 443.519 2.653 0 50 IFAA O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(Cn3cccn3)on2)C1)c1ccccc1 498531126 ZZBROMNSLPEHNT-KRWDZBQOSA-N 445.483 2.915 0 50 IFAA O=C(CCCn1nnc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 888087836 RDLVOEUEQQBGGJ-WXAIXHMISA-N 447.583 2.993 0 50 IFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cc1ccccc1C)C2 1857687443 RGTIJIKKZNCENC-OTNCWRBYSA-N 428.573 2.820 0 50 IFAA Cc1cccn2c(CC(=O)N3CCCCN4CCCC[C@@H]4CC(=O)NCCC3)cnc12 2100533156 CIOKPIJDBDOXIP-HXUWFJFHSA-N 425.577 2.559 0 50 IFAA CC1(C(=O)N2CCC([S@@](C)(=O)=NC(=O)c3cccc4nccn34)CC2)CC(F)(F)C1 2332238961 RNAZFEAUWMDODL-SSEXGKCCSA-N 438.500 2.999 0 50 IFAA COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(OC)c3ccccc13)CC2 12055347 BOUNXXUMSUYNMK-QGZVFWFLSA-N 437.544 2.712 0 50 IFAA O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1ccc3ncccc3c1)CC2 12149624 XIFQYETUVDBVAD-UHFFFAOYSA-N 426.524 2.744 0 50 IFAA O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12582594 WNPMWIDAIIIMBJ-KRWDZBQOSA-N 439.478 2.615 0 50 IFAA O=C([C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCCN(c2nc3ccccc3o2)CC1 14882194 IIVBCDAYUDFFSR-JOCHJYFZSA-N 448.479 2.983 0 50 IFAA COCCCNC(=O)c1cn(C[C@@H]2CCCO2)cc(C(=O)NC2CCCCCCC2)c1=O 14956042 JILBBQMLBZDBJN-IBGZPJMESA-N 447.576 2.636 0 50 IFAA CC[C@@H](C)n1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)NCC(C)(C)CN(C)C)c1 14990921 DBIUSVMDVAXNIA-MRXNPFEDSA-N 430.549 2.660 0 50 IFAA COC(=O)CCCNC(=O)CC[C@@]1(Cc2ccc(OC)c3ccccc23)CCC(=O)N1 14995215 FXCVUPVALAQVLM-DEOSSOPVSA-N 426.513 2.889 0 50 IFAA CN1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 19800408 IMDNEMPNSSEQKM-UHFFFAOYSA-N 442.368 2.963 0 50 IFAA C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 239433457 XSNLHIWRTQZZSU-YKSRAPIUSA-N 434.286 2.595 0 50 IFAA CC(C)CC(=O)N1CCC([C@]2(CCc3ccccc3)NC(=O)N(CCN(C)C)C2=O)CC1 299783757 WUZXQAPZWRJQJL-VWLOTQADSA-N 442.604 2.756 0 50 IFAA CCC(=O)N1C[C@H]2CN(S(=O)(=O)c3sc4ccc(Cl)cc4c3C)C[C@]2(CO)C1 1775981199 BBHCSXPOHNEAOY-DJJJIMSYSA-N 442.990 2.715 0 50 IFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3nc(-c4ccco4)no3)CCSCC2)o1 1776111419 VXFYGNOVPSVYTA-UHFFFAOYSA-N 431.470 2.768 0 50 IFAA O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N[C@@H]1CCN(Cc2ccccc2)C1=O 1875257140 WMLRLHZMGOLPJF-PKTZIBPZSA-N 448.567 2.711 0 50 IFAA Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1CC(=O)N1CCN(c2ncccn2)CC1 1875261425 AOHISWGMBHZDGV-GOSISDBHSA-N 445.999 2.777 0 50 IFAA COc1ccccc1N1CCN(Cc2nc(N)nc(N3CCCc4ccccc43)n2)CC1 9433937 KEPXUXLMCBPRHO-UHFFFAOYSA-N 431.544 2.869 0 50 IFAA COC(=O)c1cc(CNC(=O)c2ccccn2)cc(NS(=O)(=O)c2ccc(F)cc2)c1 11782891 IMSABFGAMIRUHQ-UHFFFAOYSA-N 443.456 2.738 0 50 IFAA COc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CC(Cc3ccc(F)cc3)=NO2)CC1 11812823 CSKZJLHGAVJLHT-OAQYLSRUSA-N 425.460 2.506 0 50 IFAA CN1CCC[C@@H](CNC(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1 12282449 FOUDMGDPYKSYQY-SFHVURJKSA-N 428.577 2.565 0 50 IFAA COc1cc(CNCCc2nc(C)c3c(n2)CCC3)ccc1OC[C@H](O)CN(C)C(C)C 12588360 VSTNILBDRXZJMW-HXUWFJFHSA-N 442.604 2.695 0 50 IFAA O=C(O)CCC(=O)NCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 14632671 ZZKFTNFZZHGPGO-UHFFFAOYSA-N 426.469 2.523 0 50 IFAA in-vitro CCN(Cc1ccccc1)Cc1cc(OC)ccc1OC[C@H](O)CN1CCC(O)CC1 15064074 HODHGCDOSWMVGT-HSZRJFAPSA-N 428.573 2.914 0 50 IFAA C[C@H]1CCc2nc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)sc2C1 22972187 XAGNLBUSNVEALG-HNNXBMFYSA-N 428.558 2.753 0 50 IFAA C[C@H](NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br)c1ccc(Cl)cn1 225830768 HRKBTYGGPSBNFX-ZETCQYMHSA-N 431.699 2.707 0 50 IFAA C[C@H](NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)c1ccc([S@](C)=O)cc1 252477167 JISNVGFEPRTYPA-STVZJEGHSA-N 434.558 2.583 0 50 IFAA CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C 253501928 OTLJDTMBQKLRPK-FXGQFTNSSA-N 448.556 2.715 0 50 IFAA CCN(C1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1)S(C)(=O)=O 481484096 SSJNQVUXETUCJO-CQSZACIVSA-N 446.976 2.513 0 50 IFAA COc1ccc([C@H](CC(=O)NCCc2ccccn2)c2c(O)nc3ccccn3c2=O)cc1 2049512047 UXZRBHRYFTZTBU-FQEVSTJZSA-N 444.491 2.685 0 50 IFAA O=C(Cc1csc(-c2cnccn2)n1)N[C@@H](C(=O)O)c1csc(Br)c1 2325876340 RPGUFWVOTJDEKZ-CYBMUJFWSA-N 439.316 2.909 0 50 IFAA COc1ccc(OC)c(Nc2nc(N)nc(CSc3nnc(-c4ccncc4)o3)n2)c1 9088061 TXLWTLKDEXHVPP-UHFFFAOYSA-N 438.473 2.952 0 50 IFAA O=C(Nc1cnn(CC(=O)N2CCC[C@@H](OCc3ccccn3)C2)c1)c1ccccc1F 11785496 XWMFMZIQIBHBHS-LJQANCHMSA-N 437.475 2.877 0 50 IFAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CN(C)Cc3ccc(C)o3)c2)CC1 11954361 FDHVTAKBPGAKPR-NRFANRHFSA-N 430.545 2.845 0 50 IFAA CN1CCN(c2nc3c(S(=O)(=O)c4cccc(Cl)c4)nnn3c3ccsc23)CC1 15678465 GQQLPIJOQJKGJD-UHFFFAOYSA-N 448.961 2.577 0 50 IFAA O=C1CN(C(=O)CN2CCOCC2)[C@@H](c2ccccc2)c2cc(Br)ccc2N1 19772692 QRSFJETWRUTZDF-NRFANRHFSA-N 444.329 2.651 0 50 IFAA O=C(CCc1ccncc1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20998182 SLNTUKQJIPQHSZ-QFIPXVFZSA-N 436.556 2.552 0 50 IFAA O[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 23338445 CWCNWYUPYPWGJA-JWQCQUIFSA-N 435.547 2.769 0 50 IFAA O=C(c1csnn1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55042106 CSNQLPRZLQONKP-INIZCTEOSA-N 425.480 2.984 0 50 IFAA CCOC(=O)c1ccc(S(=O)(=O)N(C[C@@H](O)CC(C)(C)C)C2CCN(C)CC2)cc1 225829058 MUHXCTLFDSIIGN-IBGZPJMESA-N 440.606 2.745 0 50 IFAA Cc1nn(C)c(C)c1[C@@H]1CC(c2cccc(O)c2)=NN1c1ccc(S(N)(=O)=O)cc1 227173393 QXHMBMDTQGAMHJ-FQEVSTJZSA-N 425.514 2.746 0 50 IFAA CC(=O)N[C@@H]1[C@H](Oc2ccc3ccccc3c2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O 250763598 XCMZMJFBJIDKSB-WFGFEZODSA-N 435.476 2.923 0 50 IFAA O=C(NCc1ccccc1)N1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 263617904 QGQBNSOAKZVOIJ-QHCPKHFHSA-N 432.528 2.577 0 50 IFAA COc1ccc(C(=O)N(C)[C@@H](C)Cc2ccccc2C)cc1S(=O)(=O)N1CCOCC1 487426130 DFBRNSCYQYLTTG-SFHVURJKSA-N 446.569 2.728 0 50 IFAA C[C@@]1(C2CCN(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)CC2)NC(=O)NC1=O 1479055969 MNJKYGIICNZEJR-KRWDZBQOSA-N 432.830 2.879 0 50 IFAA CN(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)c(F)c2)C1 1875320167 JPPGCQISLCGOIS-KRWDZBQOSA-N 447.894 2.965 0 50 IFAA O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NC[C@H]1CCCO1 4196220 RNCYDAXJMHNPDJ-OAHLLOKOSA-N 430.954 2.625 0 50 IFAA Cc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)c(C)c1 9435397 YXICLWUTFYXANG-UHFFFAOYSA-N 443.544 2.879 0 50 IFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@H](CCCO)C3)cc2)CC1 12459343 JRWPANVLTOBKGI-LJQANCHMSA-N 432.561 2.718 0 50 IFAA COc1ccc(CN(C)CCc2cn[nH]c2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12718992 OYGMAXVDESXENU-QHCPKHFHSA-N 438.572 2.965 0 50 IFAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cc2ncccn2n1 19144612 SFPZJOCIZLPZDT-LJQANCHMSA-N 433.556 2.697 0 50 IFAA COc1cccc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)c1OC 19789994 WNMXDNQTKSURQL-UHFFFAOYSA-N 430.501 2.688 0 50 IFAA O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55036156 YZUBXRWRTVDOCJ-NRFANRHFSA-N 425.504 2.910 0 50 IFAA COCCS(=O)(=O)Nc1c(Br)cc(Br)c(C(=O)OC)c1C 170617382 LCYHKYYUXXHICF-UHFFFAOYSA-N 445.129 2.695 0 50 IFAA c1cc(N(c2ccc(-c3nn[nH]n3)cc2)c2ccc(-c3nn[nH]n3)cc2)ccc1-c1nn[nH]n1 207906626 CHAAVGWPHGJXSW-UHFFFAOYSA-N 449.442 2.697 0 50 IFAA C[C@@H]1CCc2c(sc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C(=O)N2CCOCC2)C1 239433713 YISSZKJLHMMHPU-PUQNWLDYSA-N 444.553 2.807 0 50 IFAA CS(=O)(=O)Nc1cccc2c1CCN(C(=O)N[C@@H]1CCN(c3ccccc3F)C1)C2 494861358 OVBHWSQVZJRHFB-MRXNPFEDSA-N 432.521 2.544 0 50 IFAA CC(C)(C)c1nc(N2CCC[C@H]3CN(C(=O)c4cccc(F)c4F)CC[C@H]32)[nH]c(=N)n1 1875335027 PIBRPGPIKGYXSO-XJKSGUPXSA-N 430.503 2.991 0 50 IFAA O=C(NC[C@H]1CC2(CCC2)CN1C(=O)c1cc(O)c2ccsc2c1)c1cnnc(O)c1 1875359292 ABRGDFLELQYDED-OAHLLOKOSA-N 438.509 2.917 0 50 IFAA CC(C)(C)c1cc(C(=O)N2CCC[S@](=O)(=NC(=O)c3cccc4c3OCO4)CC2)no1 2332238419 SXUVNGOHRBVXHW-WJOKGBTCSA-N 447.513 2.855 0 50 IFAA COc1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2nccc2C)cc1OCC1(C)COC1 11814370 MBKUQFYQLOHVGY-FQEVSTJZSA-N 443.544 2.823 0 50 IFAA Cc1nonc1CN1C(=O)c2cccc(N3CCN(CCCc4ccccc4)CC3)c2C1=O 12218729 HLAJFDHPMHXCPY-UHFFFAOYSA-N 445.523 2.929 0 50 IFAA COc1cccc(C(=O)NC[C@H]2CCC3(CCN(C(=O)c4ccncc4)CC3)O2)c1OC 12452075 RZXLWVVKILVFIR-GOSISDBHSA-N 439.512 2.683 0 50 IFAA CS(=O)(=O)CC[C@H](C(=O)O)N1C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2C1=O 13153329 VNSXXTNOUFQDJM-MRXNPFEDSA-N 437.857 2.616 0 50 IFAA Cc1c(-c2ccnc(N3CCN(C)CC3)n2)cnc2nc(SCc3ccccc3)nn12 54202001 ZWCLYBHBRHDQTG-UHFFFAOYSA-N 432.557 2.934 0 50 IFAA COc1cccc([C@H](CNC(=O)[C@](N)(c2cccc(OC)c2)C(F)(F)F)N(C)C)c1 170607846 XQEUTWSQYUMDLX-AZUAARDMSA-N 425.451 2.839 0 50 IFAA COc1cccc([C@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C)S(=O)(=O)N2)c1 248330448 FVEOZUYOASIHGX-KIQACKJLSA-N 435.590 2.702 0 50 IFAA COc1ccc(N2C(=O)[C@@H](CC(=O)NCc3nc4ccccc4n3C(C)C)N=C2O)cc1 252486238 HJZAHJCHFSFNJB-GOSISDBHSA-N 435.484 2.962 0 50 IFAA CCCCN(C(=O)CN1CCC[C@@H]2CCC[C@H](C)[C@H]21)c1c(N)n(CCC)c(O)nc1=O 253531065 WFTCTBMYTZPMNR-JENIJYKNSA-N 433.597 2.975 0 50 IFAA O=C(Cc1cccc(I)c1)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 434055393 XEZSPUBPERYVME-RISCZKNCSA-N 427.204 2.996 0 50 IFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 1704337548 WYZWLRTZNNJEGZ-UHFFFAOYSA-N 431.968 2.814 0 50 IFAA O=C(CCS(=O)(=O)c1ccccc1)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857723144 WZDNURFHOGEZKO-SVFBPWRDSA-N 448.972 2.834 0 50 IFAA c1csc(-c2n[nH]c(CN=c3cc(NCc4nc(-c5cccs5)n[nH]4)nc[nH]3)n2)c1 1875262013 NENHEEIRHYZJCH-UHFFFAOYSA-N 436.530 2.816 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1CCn2ccnc2C1 1875288156 PKPOPWUIBSOGIS-HOTGVXAUSA-N 428.500 2.554 0 50 IFAA CC(C)(C)C[C@@H](CNC(=O)c1cncc(F)c1)c1cn(-c2cncc(C(=O)O)c2)nn1 1875324981 PRBFACFXEYTZDR-HNNXBMFYSA-N 426.452 2.844 0 50 IFAA O=C(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 2325749089 HFMRMBRXLAWXEN-NSHDSACASA-N 449.234 2.962 0 50 IFAA Cc1cc(C(=O)N=S2(=O)CCC3(CC2)C[C@@H](NC(=O)[C@H]2CC2(F)F)CCO3)ns1 2332238265 JNNTYUXUMBNASI-RHDMQUHXSA-N 447.529 2.543 0 50 IFAA O=c1[nH]nc(CNCc2cccc(OC[C@@H](O)CN3CCCCCC3)c2)c2ccccc12 11839212 LHQDSLZEANSLSI-FQEVSTJZSA-N 436.556 2.829 0 50 IFAA CC[C@@]1(C2CCN(C(=O)CCSC)CC2)NC(=O)N(CCc2scnc2C)C1=O 11966313 PNZIHOAPWXHZJM-FQEVSTJZSA-N 438.619 2.686 0 50 IFAA Cc1c(NC(=O)c2cnn3cc(Br)cnc23)c(=O)n(-c2ccccc2)n1C 12846028 KFTSXOOQQHYBBD-UHFFFAOYSA-N 427.262 2.542 0 50 IFAA COc1ccc(C[C@@]2(CCC(=O)NC[C@@H](C)Oc3cccnc3)CCC(=O)N2)c(F)c1 14887584 AMGZZQKVDZXPOP-WAIKUNEKSA-N 429.492 2.785 0 50 IFAA CC(C)CCn1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21 100483515 RPPDBLLMCILWFT-UHFFFAOYSA-N 429.498 2.653 0 50 IFAA CCOC(=O)c1sc(NC(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c(C(=O)OCC)c1C 252679783 REUNKDMUNRGHEQ-DTSUUXTCSA-N 430.548 2.783 0 50 IFAA COC(=O)[C@@H](O)C1CCN(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)CC1 437382521 IDGDUOLPJJPDEA-KRWDZBQOSA-N 440.422 2.977 0 50 IFAA O=C(NCc1nc(CN2CCS(=O)(=O)c3ccccc3C2)cs1)c1ccccc1 481729755 RMOIIUNSDMIDCZ-UHFFFAOYSA-N 427.551 2.863 0 50 IFAA Cn1cc(S(=O)(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)c(C2CC2)n1 2325828555 KSFGMRLTOAUXDP-CYBMUJFWSA-N 442.463 2.659 0 50 IFAA CCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 2880872 IZEBNQYWTYVWLB-UHFFFAOYSA-N 425.348 2.819 0 50 IFAA COc1ccc(CNC(=O)c2cn(C(C)C)cc(C(=O)NCC(C)C)c2=O)cc1OC 12036815 LDFFCNATPDHYNY-UHFFFAOYSA-N 429.517 2.762 0 50 IFAA Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1cc(F)ccc1F)CC2 12191460 HKMJDQNPRCNNMR-ZNNBYXKUSA-N 430.455 2.957 0 50 IFAA CCN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 12650751 SWBWFOIYHORTOJ-UHFFFAOYSA-N 435.977 2.695 0 50 IFAA COC(=O)c1c(NC(=O)c2ccc(OC)cc2)c2cc(N[C@@H](C)CCO)cnc2n1C 14747073 FVXBFAWKHGGBKL-ZDUSSCGKSA-N 426.473 2.804 0 50 IFAA CN1C(=O)C[C@](CC(=O)N2CCCN(Cc3cccs3)CC2)(c2ccccc2F)C1=O 14995274 YBZOJPGTJUVGPE-QHCPKHFHSA-N 443.544 2.638 0 50 IFAA CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 16248482 FVLHDEBLKPYWHR-JOCHJYFZSA-N 441.597 2.592 0 50 IFAA Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)ccc21 16650344 SEIAJHHEGOLZFN-UHFFFAOYSA-N 442.522 2.992 0 50 IFAA Cc1nn(C)c(C)c1CN(C)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 55036924 ZNIOEHDDUIJOSF-UHFFFAOYSA-N 440.523 2.758 0 50 IFAA CCOC1CC(CNC(=O)c2cccc(-c3noc(C4CC4)n3)c2)(N2CCOCC2)C1 170614927 XZRPYBFEVWQUQX-UHFFFAOYSA-N 426.517 2.614 0 50 IFAA O=C(Nc1nccs1)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 222043615 PGUJAMLMEJPJMF-KBMXLJTQSA-N 449.554 2.875 0 50 IFAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CCCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1 253387422 LAGGBRBITMPUMC-NHCUHLMSSA-N 446.595 2.950 0 50 IFAA COc1ccc(C)cc1-n1cc(C(=O)NS(=O)(=O)Cc2ccc(C)c(F)c2)ccc1=O 1875261400 KNUCJVATWXOUAI-UHFFFAOYSA-N 444.484 2.862 0 50 IFAA Cc1ccc(Cl)cc1N1CCN(c2nc([S@@](C)=O)nc(N)c2Br)CC1 1875357487 JJIGIPDIUFMIRL-RUZDIDTESA-N 444.786 2.847 0 50 IFAA COC(=O)c1ccc([C@H](NC(=O)CNC(=O)c2c(F)cccc2F)C(F)(F)F)cc1 1875405435 GERLVKIFBJFWPI-INIZCTEOSA-N 430.329 2.901 0 50 IFAA O=C(NCc1csc(-c2cnccn2)n1)c1cc2c(s1)C1(CCNCC1)OCC2 2356147487 YLGSZTHULQUPCE-UHFFFAOYSA-N 427.555 2.743 0 50 IFAA COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccc(OC)c4)n3CC2)cc1 11783116 NGQLCRRGUVOYHY-KRWDZBQOSA-N 435.528 2.845 0 50 IFAA Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)nn1C 11841326 PDWKSARSWQDQET-QHCPKHFHSA-N 447.539 2.528 0 50 IFAA CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 12123594 HJJAFWWWFZKAOV-LJQANCHMSA-N 433.603 2.797 0 50 IFAA O=C1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2N1 13688544 URPXMGSDFNGION-UHFFFAOYSA-N 433.917 2.726 0 50 IFAA Cc1ccn(CCC(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3cccc(F)c3)C2)n1 14534242 GGRCFJUMPJJOFO-NRFANRHFSA-N 430.524 2.633 0 50 IFAA O=C1CN(C2Cc3ccccc3C2)C[C@@H](OCc2ccncc2)CN1CC1CCOCC1 14538041 OHJBICQPRJQKFQ-RUZDIDTESA-N 435.568 2.705 0 50 IFAA Cc1ccc(SC2CCN(C(=O)[C@@H]3CCC(=O)N(CCN4CCOCC4)C3)CC2)cc1 14956161 CLLJJWKGNRQSOD-HXUWFJFHSA-N 445.629 2.649 0 50 IFAA CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 19880892 GVINMWYBWOGXFB-RTWAWAEBSA-N 436.512 2.776 0 50 IFAA CC(=O)N1CCN(Cc2nc3cc(NC(=O)COc4cccc(C)c4)ccc3n2C)CC1 20029197 ZTEZSLQDVXVQRM-UHFFFAOYSA-N 435.528 2.563 0 50 IFAA COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1c(O)n2cc(C(F)(F)F)ccc2nc1=O 206052035 PSXSRTNUDKXPCH-CYBMUJFWSA-N 436.342 2.812 0 50 IFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CCCC(=O)NCc1ccc(cc1)CNC2=O 1704318635 PYMBUBJRHOCZGG-UHFFFAOYSA-N 447.539 2.938 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCc2c(C)noc2C)C1 1857704580 YFOREKVMDZUABY-ZFGGDYGUSA-N 432.609 2.553 0 50 IFAA CCc1cccc(C(=O)N=[S@](C)(=O)C2CCN(C(=O)c3occ4c3CCOC4)CC2)n1 2332238699 IJCMGLLSLDNURV-WJOKGBTCSA-N 445.541 2.853 0 50 IFAA COC(C)(C)c1nsc(N2CCC([S@@](C)(=O)=NC(=O)C[C@@H]3CCCO3)CC2)n1 2332239160 YSVKOTOXNGPCIL-CFJPQMKISA-N 430.596 2.582 0 50 IFAA CCN(C[C@H]1CCCO1)C(=S)NC(=O)c1ccc(OC)c(I)c1 1076338 PQLDAXFLQTWNQN-GFCCVEGCSA-N 448.326 2.815 0 50 IFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)=O)cc3)cc2)ncn1 1160389 SRXCJMJZXRJUBX-UHFFFAOYSA-N 426.454 2.741 0 50 IFAA Cc1cc(C)n(CC(=O)N(CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)n1 12386260 YCZHCZHQLUGDBL-NRFANRHFSA-N 429.584 2.941 0 50 IFAA O=C1CCCN1CCCN1C[C@@H](OCc2ccccc2)CN(Cc2ccoc2)CC1=O 14742678 BUCJIWMDKKCJLC-QFIPXVFZSA-N 425.529 2.522 0 50 IFAA O=C(C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 14993051 SDNURDMSHUZZPR-QHCPKHFHSA-N 445.563 2.842 0 50 IFAA CCn1cc(CNC(=O)c2cccc(OC3CCN(C4CCN(C)CC4)CC3)c2)cn1 15070971 HKWAXTIALVJLPW-UHFFFAOYSA-N 425.577 2.770 0 50 IFAA O=C(Nn1c(Cc2ccccc2)nc2ccccc2c1=O)c1c(O)[nH]c2ccccc2c1=O 17028642 NCYNUVUXKGJTIJ-UHFFFAOYSA-N 438.443 2.918 0 50 IFAA CCc1nc(-c2c3n(c(=O)n(Cc4ccc(OC(F)(F)F)cc4)c2=O)CCCC3)no1 169763918 LJYYLLVJQKLNIG-UHFFFAOYSA-N 436.390 2.906 0 50 IFAA COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)n2cc(Br)ccc2nc1=O 205960726 FLPMSRWOUSMVMP-GFCCVEGCSA-N 449.257 2.572 0 50 IFAA COc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)NCCc2c[nH]c4ccccc24)[C@H]3C1=O 252346852 IKGLSQKPYQOTPN-TUGCOKMYSA-N 443.503 2.822 0 50 IFAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1nnc([C@H]3CCCO3)s1)C=C2 253413968 WCQJGQQJJJQMGN-OAHLLOKOSA-N 444.513 2.791 0 50 IFAA biogenic COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5OC)CC4)c3CO2)cc1 263615267 BNIZBGSIPXXHJI-QFIPXVFZSA-N 449.511 2.529 0 50 IFAA COc1cccc(C[C@H](C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)n2nnnc2C)c1 467033377 MEXNBWARYDKMJQ-FRGLQRNOSA-N 434.544 2.553 0 50 IFAA Cc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)C2=O)cc1 745855333 YCMQKLNZXSTYED-AZUAARDMSA-N 439.491 2.845 0 50 IFAA O=C(NCc1nc(-c2ccccn2)no1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 827758178 PZFUPGCYLCKLFY-UHFFFAOYSA-N 425.876 2.954 0 50 IFAA O=C([C@@H]1CCc2ncnn2C1)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857719923 YMEOADDRHPWNIM-QGZVFWFLSA-N 430.512 2.510 0 50 IFAA Cc1nocc1C(=O)N=[S@@]1(=O)CCCN(C(=O)COc2ccc(Cl)c(F)c2)CC1 2332238625 FXCNKBKLQHHZGP-GDLZYMKVSA-N 443.884 2.695 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccn3)c(=O)n2[C@H]1c1ccccc1Cl 6378567 QBTITTZUJCLZRL-WPNIOXTASA-N 439.924 2.847 0 50 IFAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2csc(C(C)C)n2)cc1 11874676 SLTNROFCOFYVKY-IBGZPJMESA-N 430.574 2.672 0 50 IFAA CCc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(OC)c2OC)cc1 12575835 KYEAYCRRHNJFST-OAQYLSRUSA-N 439.556 2.615 0 50 IFAA O=C(O)CN1C(=O)[C@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 169619904 GBINUSMYWOVERC-YNXIZAIDSA-N 427.882 2.518 0 50 IFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2cccc(F)c2)C2=C1C(=O)OC2 169758174 QOZUFHQGHCMDEA-HXUWFJFHSA-N 425.416 2.740 0 50 IFAA CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)CCC(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1C 196047480 YRWMGJBQYCEWMW-FGZHOGPDSA-N 430.464 2.983 0 50 IFAA Cn1nccc1N1CCC[C@H](NC(=O)c2oc3ccccc3c2CSc2nnc[nH]2)C1 225566116 OJAAVZPFKFKBJP-AWEZNQCLSA-N 437.529 2.976 0 50 IFAA Cc1nccn1-c1cc(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccn1 247957894 NATOFZIYOPPXMH-AQNXPRMDSA-N 435.528 2.558 0 50 IFAA CC(C)N1CCC(N2CCN(C(=O)N[C@H](c3ccccc3F)c3nccn3C)CC2)CC1 434064017 UMPCUDDPHYUYGB-JOCHJYFZSA-N 442.583 2.849 0 50 IFAA CN(C)C/C=C/C(=O)N(Cc1nccn1C)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 1875376069 XWBDGRBVVVRKDH-LKGOPFMKSA-N 431.581 2.656 0 50 IFAA O=C(N=c1cc(-c2ccccc2Cl)o[nH]1)NCCS(=O)(=O)NC1CCCCC1 2325852582 LNDTYHAYMOLUQJ-UHFFFAOYSA-N 426.926 2.791 0 50 IFAA CNC(=O)C1(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)CCC1 2332239385 OBAHYJWWSNMWRP-UHFFFAOYSA-N 429.542 2.750 0 50 IFAA COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O 784364 LAPHLDSHTUMUBG-UHFFFAOYSA-N 426.878 2.525 0 50 IFAA CCOc1ccccc1N(CC(=O)Nc1cc(C(=O)OC)ccc1Cl)S(C)(=O)=O 2855995 FTOGKAHARLOXAE-UHFFFAOYSA-N 440.905 2.930 0 50 IFAA COC(=O)c1ccc(NC(=O)CN2C(=O)CN(c3ccc(Br)cc3)C2=O)cc1 2874508 AFNVFIOYWVYDMK-UHFFFAOYSA-N 446.257 2.643 0 50 IFAA COc1cc(=O)n2c(c1C(=O)N[C@@H](C)c1ccco1)CCN(C(=O)c1cccc(C)c1)CC2 11783079 QLYMSAZAQJZZID-KRWDZBQOSA-N 449.507 2.948 0 50 IFAA O=C(c1ccc(N2CCCC2=O)cc1)N1CCOc2ccc(CN3CCOCC3)cc2C1 14882983 WBSLASMCRIPCIF-UHFFFAOYSA-N 435.524 2.680 0 50 IFAA COc1cccc(CN2CCN(c3cccc4c3C(=O)N(CCn3cccn3)C4=O)CC2)c1 15006687 VDVCXIAORFPBFS-UHFFFAOYSA-N 445.523 2.510 0 50 IFAA CSc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C(=O)N1CCCCC1 16624953 PCBZCUWZZYCIJO-UHFFFAOYSA-N 433.555 2.934 0 50 IFAA CSc1ccc(C(=O)N2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1 19219742 JJJLLNNDHGGEGQ-UHFFFAOYSA-N 441.601 2.938 0 50 IFAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)c2=O)CCCCC3)no1 169763990 TUERPSDUQPNNLZ-UHFFFAOYSA-N 443.891 2.695 0 50 IFAA Cc1cc(NS(=O)(=O)c2cccc(I)c2)n(-c2ccncc2)n1 437314470 HXVCOQSCRKXWJH-UHFFFAOYSA-N 440.266 2.981 0 50 IFAA O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 726516727 NPVJUXIJSKRUOD-UHFFFAOYSA-N 433.390 2.718 0 50 IFAA C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)Nc4nccs4)cn1c23 888103961 OGRDFPPPQRKSNB-LBPRGKRZSA-N 443.504 2.555 0 50 IFAA Cc1ccnc(S[C@@H]2CC(=O)N(c3ccccc3I)C2=O)n1 1155147 AKAYZUTZQRYVPT-GFCCVEGCSA-N 425.251 2.814 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 8816483 RLXDCESAGPJIBY-INIZCTEOSA-N 445.541 2.717 0 50 IFAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1cc(F)cc(F)c1)CC2 12026774 HNHIPCFAFNJPIW-WHLIDYPQSA-N 430.455 2.957 0 50 IFAA Cc1cc(C)n(CCNC(=O)[C@@H]2CC(=O)c3sc(NC(=O)c4ccsc4)nc3C2)n1 12456718 JZOPYUIJYUCSMJ-AWEZNQCLSA-N 443.554 2.832 0 50 IFAA COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@H]3c2ccc(Br)cc2)c1 19166975 NEQYFFVJHRIPRS-FHWLQOOXSA-N 442.313 2.993 0 50 IFAA O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 101016398 CLNSSYSGSRQJEL-GMAHTHKFSA-N 427.932 2.716 0 50 IFAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C(=O)N1c1ccc(F)cc1 229899957 OJSCANUVCDCQSX-FSBGXSNOSA-N 425.847 2.910 0 50 IFAA O=C(c1ccc2[nH]cnc2c1)N1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 301826082 OVSJZWZGGAAYEO-UHFFFAOYSA-N 425.496 2.866 0 50 IFAA C[C@H]1CN(C(=O)c2cccc(OCC(=O)N3CCCCC3)c2)CCN1c1ccc(F)cn1 1857677976 HIRMHEOEKRCDAW-SFHVURJKSA-N 440.519 2.963 0 50 IFAA O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCN(CCO)CC1 15061670 FGNSPXFPOIJSQG-UHFFFAOYSA-N 437.584 2.523 0 50 IFAA O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 117461157 JYBHCOMPZMXLLW-UHFFFAOYSA-N 433.487 2.563 0 50 IFAA COc1cccc(CC(=O)N2CCN(C[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1 241942356 ULVZNKQKSMGOGH-NTKDMRAZSA-N 429.561 2.639 0 50 IFAA O=C(NC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2F)C3)CC1 263616582 JMZGXERHHIRJHL-QFIPXVFZSA-N 442.539 2.895 0 50 IFAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 734801572 PRGFISFBMFYWQY-PXDATVDWSA-N 443.507 2.899 0 50 IFAA Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3nc4cccc(Cl)c4n3C)C2=O)cc1 772427803 LAJJUPOJYQTMOX-QFIPXVFZSA-N 439.903 2.619 0 50 IFAA C[C@H](CCCN=c1[nH]c(C(C)(C)C)nc(=N)[nH]1)NC(=O)c1cncc2ccc(F)cc12 1875334917 KDXGGCIUTJAGRM-CYBMUJFWSA-N 425.512 2.701 0 50 IFAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NC12CCC(C(F)(F)F)(CC1)CC2 2325744091 LNSXSGMVJROQTC-UHFFFAOYSA-N 430.448 2.993 0 50 IFAA COc1ccc(Cl)cc1N(CC(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccccc1 621927 AZUOEGKUUDXTPE-INIZCTEOSA-N 438.933 2.839 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccccc1 631302 KCOZDSHLHLSRLO-LUDQZLGDSA-N 434.517 2.807 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1 1119192 JWHRFMQFCQQNSZ-IBGZPJMESA-N 445.560 2.884 0 50 IFAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1cc(F)ccc1F)CC2 12191459 HKMJDQNPRCNNMR-ZVVFDCPKSA-N 430.455 2.957 0 50 IFAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H](NCc3cccc4cccnc34)C[C@@H]12 14753965 NSZSBGJNSVVBLI-VJBMBRPKSA-N 439.519 2.516 0 50 IFAA COc1ccccc1[C@]1(CC(=O)N2CCCC[C@@H]2c2nccs2)CC(=O)N(C)C1=O 14879888 KFQPVVQQRPANKX-OPAMFIHVSA-N 427.526 2.922 0 50 IFAA COc1cc(C)c(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)cc1C 20784924 VALNHQBVPQLUJQ-SFHVURJKSA-N 434.544 2.848 0 50 IFAA CC[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O 170595566 BSWDYLNYWCIHLZ-GAJHUEQPSA-N 427.501 2.622 0 50 IFAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]12 239339086 LRHOREJRTCMJCN-HSGJQSDISA-N 447.443 2.619 0 50 IFAA CC1(C)CC(CO)(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)C1 1875316319 INHWQKFQVZCADC-UHFFFAOYSA-N 448.516 2.512 0 50 IFAA O=C(COC(=O)[C@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Br)cc1 1023632 BJWXNJXPBSQTEG-DOTOQJQBSA-N 448.269 2.809 0 50 IFAA CN(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1ccc(F)cc1 1120832 ZKPOUGGAHKGCMI-UHFFFAOYSA-N 448.257 2.690 0 50 IFAA O=C(CCn1cnc2ccccc21)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 12317852 MAQCKONMUIJWOI-INIZCTEOSA-N 432.571 2.705 0 50 IFAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(Cc1cccn1-c1ncccn1)CC2 14745640 MVTFCOLPZOXVJD-UHFFFAOYSA-N 443.511 2.642 0 50 IFAA COC(=O)c1sc2nc(CN3CCSCC3)ccc2c1NC(=O)c1cc(C)nn1C 64131647 LWUQHTDHRRKXAM-UHFFFAOYSA-N 445.570 2.926 0 50 IFAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C(=O)N1c1ccc(F)cc1 229899949 OJSCANUVCDCQSX-QNFHRHJVSA-N 425.847 2.910 0 50 IFAA CC(C)COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 245380623 CZLBSBFGRXLMHU-DVBWKPSCSA-N 436.508 2.881 0 50 IFAA Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 481138381 ICHVHICYCNXZSL-XMMPIXPASA-N 434.496 2.698 0 50 IFAA COc1cc(CN2CCO[C@@H](c3ccccc3)C2)ccc1OCC(=O)N1CCOCC1 506343518 YYKQGQYARCZJEY-HSZRJFAPSA-N 426.513 2.506 0 50 IFAA COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1OC 1163670 OLMSGQVQKYCPJM-UHFFFAOYSA-N 443.319 2.726 0 50 IFAA C[C@@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(-c3nc4c5cnn(C)c5ncn4n3)cc2N1 2802917 IWCFUHRISADRMF-GMSGAONNSA-N 427.341 2.817 0 50 IFAA CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 9907614 BJBQZWWBKRJTBM-UHFFFAOYSA-N 445.324 2.847 0 50 IFAA COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)c2cc(C(C)C)n[nH]2)CCO3)CC1 12240435 JPCLFRMSCTVEEV-UHFFFAOYSA-N 440.544 2.953 0 50 IFAA O=C(CCc1cnccn1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14535970 YDBYORCSIIFOQJ-QHCPKHFHSA-N 436.556 2.998 0 50 IFAA COc1ccc(CCN[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cc1 14752446 MZNZQJXQJGNCNS-HXUWFJFHSA-N 440.588 2.710 0 50 IFAA CN(Cc1nccs1)C(=O)c1cc(NCc2ccco2)cc(S(=O)(=O)N(C)C)c1 19144984 BXKVRJXSOBCNFC-UHFFFAOYSA-N 434.543 2.871 0 50 IFAA O=C(c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1)N1CCCc2ccccc21 408524954 CQOHTFVNOMYHSS-COHCJCRJSA-N 438.549 2.669 0 50 IFAA CCCCN1CCC(NC(=O)C(=O)Nc2ccc(I)cc2C)CC1 441994749 JKGDGDKDEUWVBG-UHFFFAOYSA-N 443.329 2.919 0 50 IFAA O=C(O)[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccc(Br)c(Cl)c1 2325876465 WJSUMCLBXJHWQS-MFKMUULPSA-N 426.716 2.717 0 50 IFAA COc1ccc(OC)c(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c1 652617 OOPQTLABUFYAPU-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)ccc1O 716309 PQWQITBQKOXZAS-FQEVSTJZSA-N 426.425 2.891 0 50 IFAA Cc1cccc(C)c1NC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1C 1429019 FHEPMPYVCNUDAN-UHFFFAOYSA-N 434.529 2.865 0 50 IFAA O=C(NCc1nnc2n1CCN(C(=O)C13CC4CC(CC(C4)C1)C3)CC2)c1ccccc1 11974151 XIECIBUTPKNVCB-UHFFFAOYSA-N 433.556 2.809 0 50 IFAA CCN1C(=O)C[C@](CC(=O)N(C)C2CCOCC2)(c2cccc(C(F)(F)F)c2)C1=O 12160671 CSVKGYSFPKAENW-HXUWFJFHSA-N 426.435 2.750 0 50 IFAA CN(Cc1cccc2cnccc12)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 12456889 ZINWTDJDVSIZIM-NRFANRHFSA-N 438.478 2.862 0 50 IFAA O=C(COc1ccccc1)NCCc1nnc2n1CCN(Cc1cc3ccccc3o1)CC2 19228656 KUWVUSIOSQWNCN-UHFFFAOYSA-N 445.523 2.820 0 50 IFAA O=C1CC[C@@H](C(=O)N2CCC3(C=Cc4ccccc43)CC2)CN1CCCN1CCOCC1 19740427 UYFPLSBKGSVQCQ-JOCHJYFZSA-N 437.584 2.535 0 50 IFAA COc1ccc(CNCc2cc(F)cc(F)c2)cc1OC[C@H](O)CN1CCCN(C)CC1 23129490 KCUJRIPOACUEHD-JOCHJYFZSA-N 449.542 2.640 0 50 IFAA Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ncncc1Br 170618627 MIXYHIQKJTXGDS-UHFFFAOYSA-N 428.084 2.679 0 50 IFAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NC[C@@H](O)c3ccccc3)CC2)cc1 245255391 HEUPQPBHWIIXPE-SFGWALBWSA-N 446.569 2.630 0 50 IFAA Cc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC(F)F)CC4)c3CO2)cc1 263617884 QFBNQRGIDLWYPG-GOSISDBHSA-N 432.471 2.697 0 50 IFAA Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc(N2CCNC(=O)C2)ccn1 468811135 CUICOJAXGMQSCE-IAGOWNOFSA-N 449.555 2.697 0 50 IFAA CCCc1ccc(C(=O)NC[C@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc1 1857673312 NJOXMDKDXPUSMV-QHCPKHFHSA-N 427.589 2.718 0 50 IFAA NCc1nc(C(=O)N2CCCC(=O)N3CCCC[C@H]3CCc3cccc(c3)OCC2)co1 1857707112 ZYMKKMOUMZXMON-IBGZPJMESA-N 440.544 2.762 0 50 IFAA Cc1cs/c(=N\c2ccc3c(c2)OCCO3)n1[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1875256804 AGELSOGCSWPFPF-SGQFIMJCSA-N 436.555 2.770 0 50 IFAA Cc1cc(C)cc(-c2cn(Cc3ccc(C(=O)N[C@H]4CCO[C@@H](CC(=O)O)C4)o3)nn2)c1 1875353961 MFTACRHPHYBEGE-PKOBYXMFSA-N 438.484 2.955 0 50 IFAA O=C(NCCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl)c1ccc(-c2nn[nH]n2)cc1 2325749436 XHMZTMQABNDPFV-GOSISDBHSA-N 438.919 2.874 0 50 IFAA CC(C)[C@]1(C)C[C@@H]1C(=O)N=[S@]1(=O)CCCN(C(=O)Cc2cn3cc(F)ccc3n2)CC1 2332238720 JKICUOQTCFSGPJ-NRQFKLOQSA-N 448.564 2.925 0 50 IFAA COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)cc1OC 2170343 NSTCZLTVWRNLOG-UHFFFAOYSA-N 438.571 2.687 0 50 IFAA CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccc(OC)cc1 8583719 SVGYKBQUAYXOFU-GOSISDBHSA-N 443.891 2.813 0 50 IFAA CC(C)N(Cc1nccn1C)Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2sccn12 12317222 IJFSZVURZVWSNH-IYBDPMFKSA-N 430.578 2.789 0 50 IFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccc(OC)c1)CC2 14733200 UTJMFVISQPDNNC-UHFFFAOYSA-N 438.528 2.536 0 50 IFAA CN(C)CC(C)(C)CNC(=O)c1cn(C2CC2)cc(C(=O)NCC2CCCCC2)c1=O 15000093 VBZNYAIYIGHSPR-UHFFFAOYSA-N 430.593 2.811 0 50 IFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17100624 ZVSUWYAOTPHDHM-DBVUQKKJSA-N 436.574 2.924 0 50 IFAA Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)c(C)c1 65365108 UFVQZAGFMHLSCJ-UHFFFAOYSA-N 429.590 2.821 0 50 IFAA CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1ccc(I)cc1 303437227 HDOOBJLYSMZQAI-UHFFFAOYSA-N 436.296 2.855 0 50 IFAA NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cc(F)c(F)cc1N1CCOCC1 492952467 MTWRJDJQIIKXIN-KRWDZBQOSA-N 438.862 2.673 0 50 IFAA Cc1nn(C)c(N2CCCN(C)CC2)c1CN=c1[nH]c(-c2ccccn2)nc2ccccc12 1875263688 KIWIUZYORSCLTE-UHFFFAOYSA-N 442.571 2.910 0 50 IFAA COc1cccc(C(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)c1OC 11783987 LYGLSKJWEWJVMT-INIZCTEOSA-N 429.521 2.519 0 50 IFAA Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3Cc4ccccc4C(=O)O3)C2=O)cc1 169975435 HXVYMOWPIUBYBR-LSCADSNKSA-N 436.489 2.929 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cccc(OC)c2OC)C1 1857692876 YMNHBUASUDBRIA-TYBLODHISA-N 445.604 2.533 0 50 IFAA CNC(=O)[C@H](NC(=O)COC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1)c1ccccc1 2325873683 PTHCJWHTCJJMIN-HSZRJFAPSA-N 442.475 2.990 0 50 IFAA COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 2882140 CSLBIJXJOZQBMZ-UHFFFAOYSA-N 432.498 2.665 0 50 IFAA CCC(=O)[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)C1 11791314 OGUGCHVWEFRTSG-IBVKSMDESA-N 447.535 2.886 0 50 IFAA COC(=O)c1cc(CNC(=O)c2ccc(OC)cc2)cc(NC(=O)c2cc(C)nn2C)c1 11978168 SZYINARSMFWXAU-UHFFFAOYSA-N 436.468 2.706 0 50 IFAA CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 15919208 RKNJENQBPATLNV-UHFFFAOYSA-N 437.949 2.684 0 50 IFAA CCOc1ccc(N2C(=O)C[C@H](N3CCN([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1 19898746 YBUROUGFUOVFDR-UPVQGACJSA-N 433.552 2.892 0 50 IFAA CC(=O)[C@H]1CCCN(C(=O)c2coc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)C1 20451491 GCSULZJQLDTZQD-XPUAEESYSA-N 436.556 2.947 0 50 IFAA COC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)OC(C)(C)C 114730491 JZWGAKDJDOFGPF-LBPRGKRZSA-N 427.397 2.524 0 50 IFAA O=C1[C@H]2[C@@H]3[C@H]([C@@H]4C=C[C@H]3[C@@H]3C(=O)N(C5CCCCC5)C(=O)[C@H]43)[C@H]2C(=O)N1C1CCCCC1 138720811 KSOCXRSCFJVURG-MMPLWAHZSA-N 436.552 2.916 0 50 IFAA CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 253414634 YAHFNFQPAGKEMR-OALUTQOASA-N 437.496 2.971 0 50 IFAA CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccco3)O[C@H]2[C@@H]1O 253498535 FYTGFTLKWMSTHB-UKIRVEGOSA-N 425.437 2.516 0 50 IFAA CC(C)CC[C@]1(C2CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)NC(=O)NC1=O 299770542 VGSHWLQRSZPHIF-OAQYLSRUSA-N 431.924 2.854 0 50 IFAA C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 446598325 FDJIZPIEKPXDDQ-IVCQMTBJSA-N 443.507 2.640 0 50 IFAA CC1(C)C[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2O1 482348371 FMCLLCJHLWDREH-IBGZPJMESA-N 448.516 2.879 0 50 IFAA O=C(NCCc1ccc(O)cc1)[C@@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O 888089062 GFVQRNJLLIIVTF-JOCHJYFZSA-N 429.476 2.950 0 50 IFAA O=C([C@H](O)c1ccc(Cl)cc1Cl)N1CCO[C@H](Cn2cc(-c3ccncc3)nn2)C1 1875358311 QYFJCNQOQVJFLJ-HNAYVOBHSA-N 448.310 2.608 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)cc1OC 857047 ZHQUGXSFMPZXBE-UHFFFAOYSA-N 432.542 2.954 0 50 IFAA COC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 1075872 HBEUOUXEHWBVPB-UHFFFAOYSA-N 446.525 2.830 0 50 IFAA CC(C)CN1C(=O)N[C@](Cc2cccc(F)c2)(C2CCN(Cc3cnn(C)c3)CC2)C1=O 11982480 SJQLEDMYYGFUJH-XMMPIXPASA-N 441.551 2.961 0 50 IFAA CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](N(C)Cc1nc3ccccc3s1)C2 14745387 AGVFDGFCAGBDLZ-MRXNPFEDSA-N 439.585 2.974 0 50 IFAA NC(=O)CSc1ccccc1C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 109784091 CCNSFKMYTJYLSV-UHFFFAOYSA-N 438.553 2.803 0 50 IFAA COc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 170598370 YTYHGMANRURMIF-CALCHBBNSA-N 437.606 2.528 0 50 IFAA C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 252539451 NZXOREWKYIFEQI-CJTFWIGWSA-N 440.632 2.879 0 50 IFAA O=C(c1cncc(Br)c1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 263616576 JMALYQGMJQXIQM-UHFFFAOYSA-N 428.290 2.738 0 50 IFAA Cc1cc(NS(=O)(=O)c2cccc(C(=O)NC[C@H]3COc4ccccc4C3)c2)no1 849192952 KTXUQZVNACFMMC-HNNXBMFYSA-N 427.482 2.765 0 50 IFAA O=C([C@@H]1CCc2ccccc21)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857733132 WRMNMLOAFHGQNH-LJQANCHMSA-N 434.540 2.555 0 50 IFAA Cc1[nH]nc(CN2CCCNC(=O)CC[C@@H](c3ccccc3)CCNC(=O)C2)c1Cl 1875240467 TZOSGEJWZCUQRG-GOSISDBHSA-N 431.968 2.764 0 50 IFAA C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1)C(=O)Nc1cccc(N2CCCC2)c1 1875254618 WKTOKSBMIFQMCU-HYVJGQCMSA-N 434.540 2.950 0 50 IFAA CC[C@H](NC(=O)[C@H](NC(=O)C1CCCC1)[C@@H](C)O)[C@H](O)c1ccc(C(F)(F)F)cc1 1875258140 BGBWUQTVTQJHDV-QRVDHSFSSA-N 430.467 2.689 0 50 IFAA O[C@H]1CC[C@H](O)[C@H]2CC[C@H]1N2c1ncc(C(F)(F)F)cc1I 2325780142 JZGAIISYYHEZHA-WYUUTHIRSA-N 428.192 2.558 0 50 IFAA COc1ccc2nc(C)c(C(=O)N[C@](C)(Cc3ccc(Br)cc3)C(=O)O)n2n1 2325852089 SJSNYZQLUDXLEW-LJQANCHMSA-N 447.289 2.625 0 50 IFAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCCC[C@@H]4c4ccccc4)ccc3C2=O)C(=O)N1 2325895769 JDVQSTOWIHKVRY-RTWAWAEBSA-N 431.492 2.815 0 50 IFAA CC1CCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 10540968 TYDHGMIGJQZBSR-UHFFFAOYSA-N 427.998 2.976 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@H](C)Cc2ccccn2)CC1 12307072 UCTRXWNHHRDFMK-GOSISDBHSA-N 427.545 2.941 0 50 IFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC2(N3CCCCC3)CCCC2)cc1 12836807 UMEUWCNCOFWTKH-JOCHJYFZSA-N 426.605 2.600 0 50 IFAA O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 13009238 FSDJDNFCWXZPBK-UHFFFAOYSA-N 446.536 2.840 0 50 IFAA O=S(=O)(c1ccccc1)N1CCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 19373659 YPOOPFMMCRYDPB-NRFANRHFSA-N 426.538 2.586 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3ccc(F)cc3F)cc2OC)CC1 20782716 JUTLCGRQWLCVLU-OAQYLSRUSA-N 449.542 2.640 0 50 IFAA COc1cc(NC(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)cc(OC)c1 82230684 BJDGXWPSBNKMHA-UHFFFAOYSA-N 426.521 2.838 0 50 IFAA COC(=O)c1cn(-c2cccc(NC(=O)N(Cc3ccco3)C[C@H]3CCCO3)c2)nn1 225850662 YGADZFWPMLWDGX-GOSISDBHSA-N 425.445 2.860 0 50 IFAA CC(C)(C)n1ncc2c(N3CCN([C@@H]4CCCN(Cc5ccccc5)C4=O)CC3)ncnc21 760829585 CYWCFOPNEFHREA-OAQYLSRUSA-N 447.587 2.895 0 50 IFAA CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1cccc(NS(C)(=O)=O)c1 1875275163 KSYCZUADPZUQJB-UHFFFAOYSA-N 444.488 2.798 0 50 IFAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N=[S@](C)(=O)C1CCN(C(=O)c2cccc3c2COCC3)CC1 2332238903 PFKSREVIULEUAC-SGVWKQMWSA-N 448.585 2.802 0 50 IFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Cl)C1 2808026 IANDWBCAVSBTLL-ZDUSSCGKSA-N 431.345 2.848 0 50 IFAA COc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2 9045130 COKJVVKMQMFDGJ-CYBMUJFWSA-N 448.566 2.805 0 50 IFAA O=C(CCc1nnc2ccc(NCc3ccco3)nn12)N1CCN(c2ccc(F)cc2)CC1 9744425 XYAOVRRIKAKAPR-UHFFFAOYSA-N 449.490 2.750 0 50 IFAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2cnn4cccnc24)O3)cc1 11981354 FUKYRLWGSMPRPG-GOSISDBHSA-N 448.504 2.533 0 50 IFAA COc1ccc(/C=C(/NC(=O)c2ccc(Br)cc2)C(=O)N[C@@H](C)C(=O)O)cc1 12381010 BNNPBJYUULRPGP-OOIIIRTPSA-N 447.285 2.818 0 50 IFAA CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1)C1CCN(C(=O)Cn2cncn2)CC1 15000544 BJSGEXTZUKFHSG-OAQYLSRUSA-N 437.569 2.962 0 50 IFAA CCOCc1cc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)ccc1OC 39478631 AUHAXFYKRALMLY-XMMPIXPASA-N 433.637 2.973 0 50 IFAA O=C(N[C@@H](CO)c1ccccc1)[C@@H]1CC(=O)N(c2[nH]nc3cc(Br)ccc23)C1 252484278 FTOCKSWYRGPOOT-DYVFJYSZSA-N 443.301 2.528 0 50 IFAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5cccc(OC)c5)CC4)c3CO2)cc1 263617989 QUJRDLSZGPXBMN-JOCHJYFZSA-N 449.511 2.529 0 50 IFAA COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CCN(Cc1ccco1)CC2 299788208 XTTPKKYAKYZLBB-UHFFFAOYSA-N 437.496 2.693 0 50 IFAA COc1ccc2[nH]cc(CC(=O)N3CCN([C@H]4CCN(c5ccccc5)C4=O)CC3)c2c1 303564914 XPGKFTVIMUVFHM-QHCPKHFHSA-N 432.524 2.669 0 50 IFAA CC(C)(NC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1)c1ccccc1 408524967 DLEVSBBIDXYZSN-QTBWBUICSA-N 440.565 2.742 0 50 IFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 446389881 ZQHVHAZUFQKSTQ-HRAATJIYSA-N 426.467 2.888 0 50 IFAA C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 915259415 HXKSMVMLBLDRRX-UZLBHIALSA-N 432.480 2.724 0 50 IFAA O=C(CNC(=O)c1ccsc1)NCc1ccc(NC(=O)CN2CCc3ccccc32)cc1 1875255436 LIXVEXJSUSLOML-UHFFFAOYSA-N 448.548 2.796 0 50 IFAA CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)N=c1[nH]nc(-c2cccc(Br)c2)s1 2325742320 LNEDLJAMMIOJGD-OLZOCXBDSA-N 438.351 2.816 0 50 IFAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)C1 2325889548 VZQFQPYDWKRFKJ-GOSISDBHSA-N 433.574 2.923 0 50 IFAA O=C(OCc1ccccc1)C1=NN[C@@]2(CC(=O)N(c3cccc(Br)c3)C2=O)C1 1431845 QKIZSVCYQHUAQB-HXUWFJFHSA-N 442.269 2.544 0 50 IFAA COc1cc(CNCCCc2ccccc2)ccc1OC[C@@H](O)CN1CCC(O)CC1 11880034 SVMIDUTXLNTSKV-QHCPKHFHSA-N 428.573 2.614 0 50 IFAA CC(C)NC(=O)c1cn(CC[C@@H]2CCCCN2C(=O)CCc2ccc3c(c2)OCO3)nn1 11975620 ZDTJEXXQEJCXPS-SFHVURJKSA-N 441.532 2.549 0 50 IFAA COC(=O)c1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)cc1 12718763 SDTDJMVSWOUCHR-HSZRJFAPSA-N 445.519 2.633 0 50 IFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN([C@@H]1CCc3ccccc3C1)CC2 14754598 OFAPYGMOXIPSRS-HSZRJFAPSA-N 448.567 2.884 0 50 IFAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 14754965 CZGMBQHHVKUYPB-UHFFFAOYSA-N 436.512 2.672 0 50 IFAA CCOC(=O)c1cnn(-c2ccc(C)cc2C)c1CNCc1ccc(S(N)(=O)=O)cc1 14980074 AZWQZEKENASCAB-UHFFFAOYSA-N 442.541 2.603 0 50 IFAA COCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 170592912 IDYQRPNIHIIWAU-UHFFFAOYSA-N 430.276 2.973 0 50 IFAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)N(C)Cc3ccccc3)C2=O)cc1OC 206233255 YMTGKQVTMQKWQP-GOSISDBHSA-N 425.485 2.563 0 50 IFAA COC(=O)c1c(OCCN2CCCCC2)cc(=O)n2c1CCN(C[C@@H]1CC=CCC1)CC2 299768518 PANAGKLTKQZRSM-HXUWFJFHSA-N 443.588 2.714 0 50 IFAA O=C1CO[C@H](CNc2ncccc2C(F)(F)F)CN1CC1CCN(CC2CC2)CC1 299802709 VXOFSWMJSLRSDK-QGZVFWFLSA-N 426.483 2.862 0 50 IFAA Cc1cc(C(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)nc2nc(O)nc(O)c12 469203956 INFGWEFSHFDMFY-UHFFFAOYSA-N 431.408 2.830 0 50 IFAA CNS(=O)(=O)c1ccccc1CNC(=O)NCc1ccnc(Oc2ccccc2F)c1 1875263485 XJIUDJXQMJGNKJ-UHFFFAOYSA-N 444.488 2.921 0 50 IFAA O=C(NC[C@H]1CC2(CCOCC2)CN1C(=O)c1cc2ccccc2c(O)n1)c1cccnc1 1875358655 DEQJIXFTBUUOED-LJQANCHMSA-N 446.507 2.777 0 50 IFAA COc1ccc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cc1F 2100554920 HZHMCBLDYHTFCF-UHFFFAOYSA-N 428.508 2.647 0 50 IFAA O=C(NCc1ccnc(NC2CC2)c1)[C@@H]1CCC[C@H]1C(=O)NCc1ccnc(NC2CC2)c1 2325730654 SYISERDNMZDEDZ-NHCUHLMSSA-N 448.571 2.974 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 627386 MJWRRXDSLOSKDR-YMFQVDJJSA-N 434.517 2.725 0 50 IFAA COCCNC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 2812702 DZHBKCKHXFHTSJ-UHFFFAOYSA-N 431.341 2.947 0 50 IFAA COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(C)(=O)=O 2812902 AYIYWOQXMKSDFY-UHFFFAOYSA-N 433.530 2.547 0 50 IFAA COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1 2868765 WVKBSHCMPSEFRW-UHFFFAOYSA-N 443.504 2.553 0 50 IFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3csc(C)c3)cc2)nc(OC)n1 2872763 PQARZCNIFHAZKC-UHFFFAOYSA-N 434.499 2.917 0 50 IFAA CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C1 11911277 NZLGNTQLTBFDFQ-GOEBONIOSA-N 444.532 2.880 0 50 IFAA CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCN(CCCn1cccn1)CC2 11998094 BSPQVGWIYJZCCQ-YADHBBJMSA-N 428.602 2.856 0 50 IFAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NC(C)(C)CO)c3C3CC3)n2)c1 12124940 KZMRBZUYJCGZGK-UHFFFAOYSA-N 437.500 2.725 0 50 IFAA O=C(CC[C@H]1CCCN(C(=O)c2cn3ccccc3n2)C1)N1CCN(c2ccccn2)CC1 15066189 ICOXOUKIAIWBCU-HXUWFJFHSA-N 446.555 2.711 0 50 IFAA CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17100606 OQSZMBDQTJERRX-MOPGFXCFSA-N 436.574 2.708 0 50 IFAA O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)N1CCN(c2ccc(Cl)cc2)CC1 169760022 GAAHGQWDNXKLOA-UHFFFAOYSA-N 439.947 2.767 0 50 IFAA Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCCN3C3CCCCC3)C2=O)cc1 252510529 ZMXUHZICUKVDSH-GBXCKJPGSA-N 426.561 2.675 0 50 IFAA CN1C(=O)C[C@](CC(=O)N2CCN(c3ccc(F)cc3)CC2)(c2ccccc2Cl)C1=O 299759327 QNWYOOUPBAIGFW-QHCPKHFHSA-N 443.906 2.845 0 50 IFAA Cc1cccc(N2N=C(c3nc(-c4cccc([C@]5(C)NC(=O)NC5=O)c4)no3)CCC2=O)c1 1321108380 FPIGSMAFMHZWDR-QHCPKHFHSA-N 444.451 2.631 0 50 IFAA CN(CCCNC(=O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 1340909280 BHXZKWAMCDHSRU-UHFFFAOYSA-N 448.567 2.637 0 50 IFAA Cc1cc(=NC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc(-c2ccncc2)[nH]1 1875257428 NBPOWMLWDZAUHB-NRFANRHFSA-N 431.496 2.512 0 50 IFAA O=C(NCc1ccnc(NC2CC2)c1)[C@H]1CCC[C@@H]1C(=O)NCc1ccnc(NC2CC2)c1 2325730656 SYISERDNMZDEDZ-SFTDATJTSA-N 448.571 2.974 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)C[C@H]2C[C@H]2Cc2ccccc2)CC1=O 2325820030 YIBXNTFYTPIUOE-BRKWEVRTSA-N 440.565 2.921 0 50 IFAA O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)Cc2cn3ccsc3n2)CCCN1 2356161632 CINKQHPJNSMEFM-HXUWFJFHSA-N 439.585 2.788 0 50 IFAA O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 806085 FSLGRBRKNHOUFK-UHFFFAOYSA-N 431.297 2.972 0 50 IFAA COc1cccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCc2ccccc2)c1 9126723 DQGBNFXMSLPMAL-UHFFFAOYSA-N 429.480 2.605 0 50 IFAA O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NC[C@H]1CCc2ccccc2O1 11882093 BGJMUVUEOOGPKS-CLOONOSVSA-N 436.508 2.897 0 50 IFAA CCOC(=O)N1CCN(C(=O)[C@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 12314944 SJOMEMYRDKXHLV-INIZCTEOSA-N 441.450 2.745 0 50 IFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N(C)CCN2CCOCC2)c1 12588006 GXTSETJKSHPXDE-UHFFFAOYSA-N 445.604 2.885 0 50 IFAA O=C(NCCCN1CCOCC1)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 12845523 LGNZOCCREPMYEY-ROUUACIJSA-N 437.466 2.996 0 50 IFAA CCOC(=O)N1CCC(N2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)CC1 23373517 MMJNFGBDIGEEEV-NRFANRHFSA-N 430.593 2.903 0 50 IFAA COC(=O)c1cccc(COC(=O)C2=CN(Cc3ccccc3)S(=O)(=O)N=C2C)c1 169755166 VQYFLUBCBCSDRY-UHFFFAOYSA-N 428.466 2.622 0 50 IFAA O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169778056 XCSLPTKUVODHFG-MRXNPFEDSA-N 430.424 2.811 0 50 IFAA CC(C)(C)OC(=O)N1CCN(c2nc(NS(=O)(=O)c3cccc(F)c3)ns2)CC1 225398197 ZWEIAIIEWDPMCO-UHFFFAOYSA-N 443.526 2.535 0 50 IFAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]1[C@@H]1CCCN12 248380893 RMUNWQPYCXCXOC-YGWSKSRPSA-N 443.503 2.735 0 50 IFAA O=C(Cc1n[nH]c2ccccc12)N1C[C@@H]2CCCN(C(=O)Cc3n[nH]c4ccccc34)[C@@H]2C1 498931266 RFJATVRSJFRXRL-QMHKHESXSA-N 442.523 2.674 0 50 IFAA CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1 776569190 VVDHHQXLDWTODK-HNNXBMFYSA-N 430.530 2.718 0 50 IFAA Cc1cncc(CC(=O)N2CCC[C@H]([C@@H]3CCCN(C(=O)c4cccc(C(N)=O)c4)C3)C2)c1 1875360084 YJTKQHRPDCZZOJ-XZOQPEGZSA-N 448.567 2.822 0 50 IFAA CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc23)CC1 6492100 IFKBEFPQEZBSBY-UHFFFAOYSA-N 430.917 2.668 0 50 IFAA Cc1ccc(C(=O)NC[C@H]2Cc3cccc(-c4cncnc4)c3O2)cc1N1CCNC1=O 12127013 ATLOYQBYKJJECY-LJQANCHMSA-N 429.480 2.715 0 50 IFAA COc1ccc(C[C@]2(CCC(=O)NC[C@H]3COc4ccccc4O3)CCC(=O)N2)c(F)c1 14886549 OUYGBIIGIROXTI-UUOWRZLLSA-N 442.487 2.762 0 50 IFAA O=C1c2cccc(N3CCN(Cc4ccc(F)cc4)CC3)c2C(=O)N1CCn1cccn1 14995143 QLLKOLSEGBOBCU-UHFFFAOYSA-N 433.487 2.641 0 50 IFAA CCOc1ccc(N2C(=O)C[C@H](N3CCN([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1 19898743 YBUROUGFUOVFDR-VWNXMTODSA-N 433.552 2.892 0 50 IFAA COc1cc(OC)cc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c1 169776344 GRSKJMJXSXMTDX-UHFFFAOYSA-N 436.443 2.749 0 50 IFAA Cn1ccnc1C[C@@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C1 485271141 LQTBYVKJSWYWOL-AWEZNQCLSA-N 434.334 2.978 0 50 IFAA O=C(O)CC[C@]12CN(CCn3cc(Cl)cn3)C[C@@H]1CN(Cc1ccncc1Cl)C2 1772813990 DQUCRBLZJUGTAK-OXQOHEQNSA-N 438.359 2.884 0 50 IFAA Cc1c(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cccc1S(=O)(=O)N(C)C 2325820058 YRDGFXHWFMQOAY-WMZOPIPTSA-N 429.542 2.794 0 50 IFAA CCSC1(C(=O)N[C@@H](CCN(C)C(=O)c2ccc3c(=O)n(C)cnc3c2)C(C)C)CC1 2325875771 BOUDPMGYWBQSFQ-SFHVURJKSA-N 444.601 2.822 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 712806 HIBKDYUUKIDCLO-GOSISDBHSA-N 444.329 2.912 0 50 IFAA Cc1c(C(=O)NCCc2ccccc2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 4142962 HZFVOJVVMYWYOD-UHFFFAOYSA-N 428.510 2.735 0 50 IFAA O=C(NCCc1ccc(F)cc1)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 12038829 ACNMAZRSBQMWRN-UHFFFAOYSA-N 433.483 2.900 0 50 IFAA O=C(c1ccccn1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H]1CCCO1 20110005 ZAXNPTBVCUZXSR-QFIPXVFZSA-N 425.529 2.614 0 50 IFAA CN(C(=O)COc1ccc2occ(C(=O)c3cccs3)c2c1)[C@H]1CCS(=O)(=O)C1 170625292 QCGGWPIBIVTLDC-ZDUSSCGKSA-N 433.507 2.750 0 50 IFAA C[C@@H](NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(S(C)(=O)=O)c(F)c1 170640644 IKFUBWXGKKFPRJ-BMLIUANNSA-N 426.416 2.878 0 50 IFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@@H]2C(=O)O 225745943 YWBPPUGIRVBOCM-XWOARTFESA-N 426.513 2.753 0 50 IFAA CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)cc1 1506420903 LYRAIGAEIJNDLX-JOCHJYFZSA-N 440.521 2.970 0 50 IFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2nccn2C2CC2)CC1 1857693977 VSCUTPNEZCDWEV-OAQYLSRUSA-N 428.508 2.628 0 50 IFAA O=S(=O)(N1CCCCCC1)N1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 1875256866 NITSJVIVJLJVRR-UHFFFAOYSA-N 435.525 2.651 0 50 IFAA O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cccc(CNc2c(O)c(=O)c2=O)c1 1875386972 HQYYBSPDVZFOBK-UHFFFAOYSA-N 429.436 2.515 0 50 IFAA O=C(N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)N1CCCN(c2ccc(F)cc2)CC1 2325730665 IJYXAJPRJODKKE-IBGZPJMESA-N 446.548 2.511 0 50 IFAA CCN(CC)[C@H](C(=O)N1CCN(C(=O)[C@H](C)OC)CC1)c1cccc(C(F)(F)F)c1 2325827727 OOKVCYYWVHSZHD-YJBOKZPZSA-N 429.483 2.794 0 50 IFAA CCOc1ccccc1N(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(C)cc1 889085 RYZGWZYAAJCICU-GOSISDBHSA-N 432.542 2.884 0 50 IFAA COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(Br)s2)c1 1105957 BFNQPSQDZSHART-UHFFFAOYSA-N 434.289 2.885 0 50 IFAA O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1 1270214 NCFAADJMFUPNJZ-UHFFFAOYSA-N 446.920 2.589 0 50 IFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 2841708 OPEVWDWYXGZCEV-UHFFFAOYSA-N 432.420 2.982 0 50 IFAA CCN(CC)C(=O)c1sc(NC(=S)NCc2cc(C)n(C)n2)c(C(=O)OC)c1C 2859060 KZLZODHLLUDRBI-UHFFFAOYSA-N 437.591 2.854 0 50 IFAA O=C(NCCCN1CCCC1=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 9134105 GWAUVKRNXHFPRY-WFASDCNBSA-N 425.411 2.879 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)N[C@H](C)Cc2ccsc2)(c2ccccc2)C1=O 12041080 NCAFGUAKUPOHFQ-HXOBKFHXSA-N 428.554 2.919 0 50 IFAA COc1ccccc1CN[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 14536535 GOOVECYYJXLHJB-LJQANCHMSA-N 426.561 2.667 0 50 IFAA CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1cncs1)CC2 14746967 LERILCBWKMGXKQ-UHFFFAOYSA-N 426.498 2.772 0 50 IFAA CCc1nc(C)c(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]1 19939282 JQJXRHPQSNITLB-FQEVSTJZSA-N 425.577 2.791 0 50 IFAA Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COC[C@H]2COc3ccccc3O2)CC1 20109697 PZNRZTRXERHAJQ-PMACEKPBSA-N 432.948 2.988 0 50 IFAA CC(=O)c1cccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)C(=O)C(F)(F)F)c1 239165173 NQAKXRMWKLZAAY-UGDFAFBOSA-N 432.398 2.795 0 50 IFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)O)CC2)cc1 239235870 WXCCJTKEOOTJCM-FFZOFVMBSA-N 434.558 2.700 0 50 IFAA COC(=O)CCCOc1ccc(NC(=O)C(=O)Nc2cccc(-c3nccn3C)c2)cc1 440257001 PRPSZROXQGNNGI-UHFFFAOYSA-N 436.468 2.996 0 50 IFAA Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)C1 495182870 IFZGAIBBGWMZPX-ZACFDKBASA-N 425.548 2.911 0 50 IFAA O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1ccc(C(=O)N2CCOCC2)cc1 1506417649 KKQQGCNDTQTRCA-UHFFFAOYSA-N 435.484 2.593 0 50 IFAA O=C(CCn1nnc2ccccc2c1=O)N[C@H]1CC[C@H](CN2Cc3ccccc3C2=O)CC1 1775942462 OWNALHYKISBONJ-UAPYVXQJSA-N 445.523 2.513 0 50 IFAA O=C1CCc2cc([C@@H](O)CCC(=O)N3CCC[C@H](Cc4nnc5ccccn45)C3)ccc2N1 1875262182 JSIOAIGZBNAFGY-UTKZUKDTSA-N 447.539 2.909 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1Cl 916477 DERGMZQSJFCBNP-UHFFFAOYSA-N 425.913 2.594 0 50 IFAA COc1ccc(CCNC(=S)NNC(=S)Nc2ccc(F)cc2F)cc1OC 2852476 PWDYCMRVLSGRAZ-UHFFFAOYSA-N 426.514 2.890 0 50 IFAA CC(=O)N[C@@H](C)C(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 11874480 IIMDOPXCVXBVQN-KRWDZBQOSA-N 425.533 2.533 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)NCCc2cccc(F)c2)(c2ccccc2)C1=O 11881406 NYMVSWZPYHIQSY-DEOSSOPVSA-N 426.488 2.608 0 50 IFAA C[C@H](NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)c1cccs1 12431238 SAMUJTHMMAAGFT-HNNXBMFYSA-N 437.587 2.889 0 50 IFAA CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2ccc4c(c2)CCO4)CC3)CC1 14991844 GOPBNCURESFQAX-HXUWFJFHSA-N 427.545 2.524 0 50 IFAA CCCC(=O)N1CCCC[C@H]1C(=O)N1CC(n2cc(-c3ccc(OCC)cc3)nn2)C1 170593244 MFQQOJHHUODMLN-NRFANRHFSA-N 425.533 2.908 0 50 IFAA COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 170597360 YCJCADYRKJCOOY-HOCLYGCPSA-N 429.439 2.693 0 50 IFAA CS(=O)(=O)C1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 725240960 OFGIMYVUHFSJTQ-UHFFFAOYSA-N 429.494 2.899 0 50 IFAA C[C@@H]1COCCN1c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 737727679 NPGJTGOMKQPSMS-UTKZUKDTSA-N 429.542 2.704 0 50 IFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(c2cc(C3CC3)ncn2)CC1 1857682129 ITVBPEZIEQFESU-FQEVSTJZSA-N 426.492 2.768 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCCO2 2838741 LWJQKZPNZBKHLN-UHFFFAOYSA-N 430.404 2.881 0 50 IFAA O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccc2cn[nH]c2c1 6460186 WPNDDXUPNUBTPM-UHFFFAOYSA-N 432.469 2.984 0 50 IFAA COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@@H](O)c3ccccc3)cc2)CC1 11814080 NIYOTAFSPMCACR-JOCHJYFZSA-N 426.513 2.508 0 50 IFAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)CCn2cccn2)C1 12057000 QSEKVDIDWGHAKC-NRFANRHFSA-N 427.593 2.584 0 50 IFAA COCCn1c(CN2CCCC[C@H]2COC)cnc1S(=O)(=O)CC1CCCCC1 12302352 FSEHQXBVXSGTLT-IBGZPJMESA-N 427.611 2.884 0 50 IFAA CNS(=O)(=O)c1ccc(CN(Cc2cccnc2)Cc2ccc3c(c2)OCO3)cc1 55198781 MHJMNYRVOWQRGX-UHFFFAOYSA-N 425.510 2.921 0 50 IFAA O=C(NCc1cccc(Br)c1)NC1(C(=O)NC[C@@H]2CCCCN2)CCCC1 236782309 FJCMJCDEJRKRRC-KRWDZBQOSA-N 437.382 2.819 0 50 IFAA CCCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cs1 1053561 AUPAVEPAGKAKTA-UHFFFAOYSA-N 438.571 2.865 0 50 IFAA COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)cc1 6578081 MMTDYDNWJBDSJB-HKBQPEDESA-N 442.493 2.952 0 50 IFAA O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 252346977 NUDFDUMBRMRBAI-WIRSXHRWSA-N 429.398 2.703 0 50 IFAA COc1cc2nc(CSCC(=O)NCCc3ccc(O)cc3)nc(O)c2cc1OC 263587233 DSDIUDMVRVAEKU-UHFFFAOYSA-N 429.498 2.650 0 50 IFAA Cc1ccc2nc(CNC3CCN(c4ccc(C(=O)N5CCC[C@@H](O)C5)cc4)CC3)cn2c1 299760916 SETITUAKJMMFAB-XMMPIXPASA-N 447.583 2.998 0 50 IFAA COc1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@]3(Cc2ccccc2)C(=O)N(C)C)cc1 1704306053 ZXFVCWKJVDEFBA-JZWVFAODSA-N 428.554 2.938 0 50 IFAA CN(Cc1cnc(-n2cccn2)s1)C(=O)c1cc(Br)cc2c1NC(=O)CO2 1857531093 FGVFYUQPTBCTCN-UHFFFAOYSA-N 448.302 2.694 0 50 IFAA Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(CN4CCN(C5CC5)CC4)cn3)C2=O)cc1C 1875264910 GEVIAPKLHZLQRN-HSZRJFAPSA-N 447.583 2.970 0 50 IFAA O=S(=O)(NCc1conc1C(F)(F)F)c1cc2nc(O)[nH]c2cc1Br 2325825614 WZBLBFJKNRPBNO-UHFFFAOYSA-N 441.185 2.516 0 50 IFAA COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(C)cc2)cc1 886441 DWRWALACDKYIEY-UHFFFAOYSA-N 425.510 2.910 0 50 IFAA COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc3ncccc3c1)CC2 11786987 JVQXWUFRTKCKGY-NRFANRHFSA-N 436.560 2.734 0 50 IFAA CN(Cc1ccncn1)C(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 20998086 MKDCWMNXATZZRB-VMPITWQZSA-N 432.528 2.568 0 50 IFAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cc(=O)n4cccc(C)c4n3)C2)cc1 110286087 MJHIDMDTQOWZHY-IBGZPJMESA-N 440.569 2.502 0 50 IFAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC3CCCCCCC3)C2=O)cc1OC 170625390 DJFPEHHOGPSEFA-SFHVURJKSA-N 431.533 2.786 0 50 IFAA CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CCN2CCCC[C@@H]12 229710663 HWSQTBDIFYDHFB-JBACZVJFSA-N 426.586 2.829 0 50 IFAA COc1cccc([C@H]2[C@@H](C(=O)NCCN3CCc4ccccc4C3=O)CC(=O)N2C2CC2)c1 466642419 TXMYVMZFYLKUCL-UPVQGACJSA-N 447.535 2.562 0 50 IFAA CC1(C)C[C@H](NC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c2ccccc21 499429313 BDCKCBAVHWXZNI-FVJLSDCUSA-N 447.535 2.561 0 50 IFAA N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3nn(-c4cc(F)cc(F)c4)c4c3CCC4)C2)C1 1775989005 YNOOYVZJONGYSN-SOIKWTOOSA-N 430.499 2.998 0 50 IFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccc(OC)cc1)C2 1857684324 IWKGNSGUCAATDL-JXALWOEJSA-N 430.545 2.592 0 50 IFAA C[C@@H]1Oc2ccc(C(=O)CS[C@@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)cc2NC1=O 1857798939 GYRADBSDTXACCE-RYUDHWBXSA-N 440.477 2.924 0 50 IFAA COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c(OC)c1 1076861 VMEVOXCVFDBAMI-UHFFFAOYSA-N 428.894 2.625 0 50 IFAA COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)NCc2cccc(Cl)c2)c1=O 11814091 SULYMIIPEHYKFK-UHFFFAOYSA-N 433.936 2.854 0 50 IFAA CCn1ccnc1CN(C)C(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 12303026 PMXWRLCYQRDFIY-UHFFFAOYSA-N 440.544 2.964 0 50 IFAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@H](C)CSC)CC2 14531905 SOWPEYVPLLWVHE-GOSISDBHSA-N 434.606 2.511 0 50 IFAA Cc1ccc2c(CC(=O)N3CCOc4ccc(CN5CCOCC5)cc4C3)cc(=O)oc2c1 19221721 CTYZUZWWKPUKCT-UHFFFAOYSA-N 448.519 2.897 0 50 IFAA C[C@@H](CCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118912563 IFQRFKVUXUJKEV-WVTUIILWSA-N 444.634 2.862 0 50 IFAA CC(C)N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)N(C)c4ccccc43)[C@H]2C1=O 245235479 LEKAGIYBNROEHO-BLJFENDVSA-N 442.519 2.564 0 50 IFAA CN1CCN(c2ccc(NC(=O)CSc3nnnn3-c3ccccc3Cl)cc2)CC1 8974948 YGFOKGJDBFPRQJ-UHFFFAOYSA-N 443.964 2.798 0 50 IFAA CN(Cc1nc2ccccc2[nH]1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 11935319 VDZOCCWLAJTRIL-SFHVURJKSA-N 443.573 2.754 0 50 IFAA Cc1noc(C)c1C(=O)N1CCC([C@]2(C)NC(=O)N(C3Cc4ccccc4C3)C2=O)CC1 12055595 UFNJTHNHGZPFSS-DEOSSOPVSA-N 436.512 2.622 0 50 IFAA Cc1c(C(=O)NC[C@H]2CCS(=O)(=O)C2)sc2ncnc(NCCc3ccccc3)c12 12199721 XROQGQNJEMXZCU-MRXNPFEDSA-N 444.582 2.819 0 50 IFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)/C=C/c3c[nH]cn3)C2)c(OC)c1 12302443 NWNREHMKWYXPMY-PYUISTEWSA-N 426.517 2.775 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cccc(Cl)c2)CC3)cc1 12330673 AZMPNRGGDQLRDV-UHFFFAOYSA-N 439.947 2.971 0 50 IFAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)cc1OC 12372927 RQOJEDBNLZXBSD-GOSISDBHSA-N 449.507 2.844 0 50 IFAA COc1ccc(CNCc2ccc(Cl)s2)c(OC[C@H](O)CN2CCN(C)CC2)c1 22852381 CYXFQYPLKDCLGW-QGZVFWFLSA-N 440.009 2.687 0 50 IFAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 39034496 UOBZOLLQFAANCU-UHFFFAOYSA-N 438.915 2.921 0 50 IFAA COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1OC 238923875 PWOBWFHKKKSBMV-JKIFEVAISA-N 430.404 2.869 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3nccs3)CC2)cc1 245257067 WDPWLCFRBXRGFT-SHTZXODSSA-N 436.559 2.825 0 50 IFAA O=C(CCN1CCC(Oc2ccc(F)nc2)CC1)Nc1ccc(N2CCOCC2)cc1 792383558 BVJYIPROQQNUDY-UHFFFAOYSA-N 428.508 2.929 0 50 IFAA O=C(c1ccc(O)nc1)N1CC[C@@H]([C@@H]2CCCCN2C(=O)c2coc(-c3cccnc3)n2)C1 1875359330 APUPDXCXSDRMLK-QUCCMNQESA-N 447.495 2.994 0 50 IFAA O=C(N=[S@@]1(=O)CCCN(C(=O)c2ncoc2C2CC2)CC1)c1cc(Cl)ncc1F 2325886418 WSDUMGIXRDKTKT-GDLZYMKVSA-N 440.884 2.894 0 50 IFAA CCc1cccc(C(=O)N=[S@@](C)(=O)C2CCN(C(=O)c3occ4c3CCOC4)CC2)n1 2332238698 IJCMGLLSLDNURV-HKBQPEDESA-N 445.541 2.853 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)Cc2ccccc2)cc1OC 857049 OPSPXLQJFFAWLT-UHFFFAOYSA-N 444.509 2.804 0 50 IFAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)CCN1CCCCO1 11662000 PBZFEWBBSRIHIT-UHFFFAOYSA-N 433.593 2.800 0 50 IFAA COc1ccc(CNCCn2ccnc2C)cc1OC[C@H](O)CN(C)Cc1ccccc1 11820396 SJYKJHBPDGFLRI-HSZRJFAPSA-N 438.572 2.862 0 50 IFAA CN(Cc1n[nH]c2c1CCCC2)C(=O)COc1ccc(N(C)Cc2ccc(F)cc2)nn1 12149006 CPAGTMIPVYESLC-UHFFFAOYSA-N 438.507 2.891 0 50 IFAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1cn(C)nc1C)CC2 14540910 SEIHIDPLBVSABU-UHFFFAOYSA-N 439.560 2.564 0 50 IFAA O=S1(=O)CC[C@]2(CCCN(S(=O)(=O)c3cccc(Cl)c3Br)C2)C1 1309504780 CFQLVTGEBMVYNG-AWEZNQCLSA-N 442.784 2.692 0 50 IFAA O=C(c1ccccn1)N1CCC(C(=O)N2C[C@@H](O)[C@H](Cc3ccnc4ccccc34)C2)CC1 1704340803 MNNWWXJBCZUZAM-HYBUGGRVSA-N 444.535 2.544 0 50 IFAA Cc1csc(CNC(=O)c2ccc(Cn3cc(-c4cccc(C(=O)O)n4)nn3)cc2)n1 1875326498 JHMLFNWCXCGTAU-UHFFFAOYSA-N 434.481 2.782 0 50 IFAA CC(=O)N(C)Cc1cn(C[C@H]2CCCN2C(=O)Cc2csc(-c3cccs3)n2)nn1 1875355014 XHEGJBPFNCSRBW-QGZVFWFLSA-N 444.586 2.675 0 50 IFAA CC(C)c1ccc(Cn2[nH]cc/c2=N\C(=O)CN2C=Nc3ccccc3S2(=O)=O)cc1 2325722326 XDYLZRGJSPXUPW-NJNXFGOHSA-N 437.525 2.780 0 50 IFAA Cc1c(NC(=S)NC(=O)c2cncc(Br)c2)c(=O)n(-c2ccccc2)n1C 678415 TYZKKKJLRKFLAD-UHFFFAOYSA-N 446.330 2.769 0 50 IFAA CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@@H]1c1ccc(Cl)cc1 1076506 RWZPGZUNGRUYDQ-ZWNOBZJWSA-N 436.917 2.909 0 50 IFAA COC(=O)[C@@H]1CCCN1C(=O)c1cc(NC(C)=O)c2c(c1)ncn2Cc1ccc(F)cc1 11995351 TYEINACXSJWAIS-FQEVSTJZSA-N 438.459 2.960 0 50 IFAA CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CCN(Cc2nc4ccccc4[nH]2)CC3)CC1 12242511 WCSPZNREZLYODX-GOSISDBHSA-N 439.560 2.902 0 50 IFAA COc1ccccc1/C=C/CN1CCc2nnc([C@H](C)NC(=O)c3cccnc3)n2CC1 12457490 ZFNLVUWQZQERTH-YOCVDRLZSA-N 432.528 2.744 0 50 IFAA Cc1nonc1N1CCN(C(=O)CN2Cc3ccccc3O[C@H](c3ccsc3)C2)CC1 14957069 JPCRVNVOZXUCRU-FQEVSTJZSA-N 439.541 2.724 0 50 IFAA COc1ccc2c(c1)O[C@@H](C)CN(CCC(=O)N1CCC(N3CCSCC3)CC1)C2 15071202 LEWHCYCLQODYHC-SFHVURJKSA-N 433.618 2.708 0 50 IFAA O=C1CN(C(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c2ccccc2N1 16647484 SLLJVECTWOKTNM-UHFFFAOYSA-N 441.553 2.646 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCCc3ccccc3C)cc2OC)CC1 20601192 CJXIMHLMYRFRQZ-XMMPIXPASA-N 441.616 2.713 0 50 IFAA O=C(O)c1cc2cc(I)cnc2n1S(=O)(=O)c1ccccc1 66054167 ONPLACVRWZKSFI-UHFFFAOYSA-N 428.207 2.576 0 50 IFAA in-vitro C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)C1=O 227618612 YCQBONVKNRSCMH-MOPGFXCFSA-N 437.540 2.728 0 50 IFAA C[C@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(CN(C)Cc2cnn(C)c2)c1 299777182 ASEKPHRMVXBXLY-QGZVFWFLSA-N 436.512 2.978 0 50 IFAA COc1ccc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@@H]2CCS(=O)(=O)C2)c(OC)c1 334158044 KENKRGZIOIPFCE-MRXNPFEDSA-N 441.509 2.601 0 50 IFAA C[C@@H]1CCCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H](C1)CS(=O)(=NC(=O)[C@]1(F)CCOC1)C2 2332238322 LDNSQROSRBCTOV-DLBHVKFDSA-N 428.570 2.804 0 50 IFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 706491 UHOGOPMXBVADHU-HWPZZCPQSA-N 439.262 2.528 0 50 IFAA biogenic COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1C 814622 UXQQSUVBKJQNMM-UHFFFAOYSA-N 432.498 2.772 0 50 IFAA O=C(NCCCN1CCCC1=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 9134104 GWAUVKRNXHFPRY-IUODEOHRSA-N 425.411 2.879 0 50 IFAA C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1ccc(F)c(F)c1)CC2 11788193 WMHPQSNKHSKAFM-MRXNPFEDSA-N 441.482 2.871 0 50 IFAA CC[C@@H]1CN(CCC(=O)N2CCC(O)(c3ccccn3)CC2)Cc2cc(OC)ccc2O1 12125943 VWPPRBJYMIHVFC-HXUWFJFHSA-N 439.556 2.964 0 50 IFAA Cc1ccc2cc(CN[C@@H]3CCS(=O)(=O)C3)c(=O)n(CCOc3ccccc3)c2c1 14995692 BLQWRUZINVGJPU-HXUWFJFHSA-N 426.538 2.666 0 50 IFAA Cn1cc(CCNC(=O)c2ccc(-n3cc(NC(=O)Cc4cccc(F)c4)cn3)cc2)cn1 14998552 HQNDUEKDAGTLKK-UHFFFAOYSA-N 446.486 2.899 0 50 IFAA O=C(NCCN1CCOCC1)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12 19774409 RVELTZDQQNXIKK-UHFFFAOYSA-N 437.397 2.616 0 50 IFAA O=C(c1ccccn1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H]1CCCO1 20110006 ZAXNPTBVCUZXSR-JOCHJYFZSA-N 425.529 2.614 0 50 IFAA COc1cc(OC)c(NC(=O)C2CCN(c3ccc4nnc(C)n4n3)CC2)cc1Cl 20728668 GYJXQKNCFDBFNU-UHFFFAOYSA-N 430.896 2.958 0 50 IFAA CCOC(=O)[C@@H]1CCCCN1Cc1cnc(S(=O)(=O)C2CCCC2)n1CCCOC 55360966 KWONNBIKNRPDLW-IBGZPJMESA-N 441.594 2.554 0 50 IFAA O=C1O[C@H](C(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)Cc2ccccc21 170626748 YHRRBSVHAGAKDG-IRXDYDNUSA-N 434.370 2.588 0 50 IFAA Cc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)N3CCC(c4ncc[nH]4)CC3)c2)o1 408521411 SRPGGPTXQDQLDL-UHFFFAOYSA-N 429.502 2.835 0 50 IFAA Cc1c(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cnn1-c1ccc(O)nn1 487773712 PRCQWXRMCNQZOC-UHFFFAOYSA-N 440.419 2.729 0 50 IFAA Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)n[nH]1 919551019 FDGSVOUUTPKQPP-UHFFFAOYSA-N 447.495 2.963 0 50 IFAA Cn1cccc1-c1cc(C(=O)N2CCC3(CC2)OCCc2cc(C(=O)O)sc23)n[nH]1 1857685090 BZTBZSNNKXOTNP-UHFFFAOYSA-N 426.498 2.879 0 50 IFAA C[C@@H]1C[C@@H](C(=O)N=[S@](C)(=O)C2CCN(C(=O)c3cnc(CC4CC4)s3)CC2)CO1 2332238784 KYVRFCJJYGVYJQ-KXVNXVSASA-N 439.603 2.750 0 50 IFAA Cc1cc2[nH]cc(C(=O)N3CCC[C@@]4(CCc5cnc(-c6ccccc6)nc54)C3)c(=O)n2n1 2356154173 LBROWCAGNQDWFJ-RUZDIDTESA-N 440.507 2.908 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2)cc1OC 639846 UQGUPLRWMWMKGX-UHFFFAOYSA-N 441.509 2.611 0 50 IFAA Cc1c(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 869399 MQWHFENNMYBCLT-UHFFFAOYSA-N 448.932 2.543 0 50 IFAA O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 8778697 YLUKIDHTYNPQEQ-UHFFFAOYSA-N 426.542 2.644 0 50 IFAA Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1NS(C)(=O)=O 13679965 RVAYTJDRSFMXMA-UHFFFAOYSA-N 438.509 2.944 0 50 IFAA O=C(CCC(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccc2F)CC1 16225963 AWNQHBCIWHVUOK-UHFFFAOYSA-N 442.510 2.742 0 50 IFAA Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)cc1 49693985 LUBBNWBFDKORKQ-BPOBUFBUSA-N 446.573 2.541 0 50 IFAA NS(=O)(=O)c1cccc(NC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c1 409577398 RRIKPANXNVSXLY-INIZCTEOSA-N 440.319 2.702 0 50 IFAA COc1cc(CN2CCO[C@H](c3ccccc3)C2)ccc1OCC(=O)N1CCOCC1 506343519 YYKQGQYARCZJEY-QHCPKHFHSA-N 426.513 2.506 0 50 IFAA O=C(NCc1ccc(OCc2ccccc2)cc1)c1nn(CCO)c(=O)c2ccccc12 1875351405 VFVTYTXLTIHZGX-UHFFFAOYSA-N 429.476 2.898 0 50 IFAA CCS(=O)(=O)c1cccc(C(=O)NC2(CNC(=O)[C@H]3C[C@@H]3Cc3ccccc3)CC2)c1 2325828219 BGHYYVQKTIFJIO-FPOVZHCZSA-N 440.565 2.738 0 50 IFAA COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c1 6125858 TWXZVJQWVIVKGY-UHFFFAOYSA-N 427.482 2.933 0 50 IFAA O=C(NCCO)[C@H]1CCCN(c2cccc3c2C(=O)N(C2CCCCCCC2)C3=O)C1 11840621 MDPOQFKLRCXRQH-KRWDZBQOSA-N 427.545 2.720 0 50 IFAA COc1cc(CN2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)cc2c1OCO2 12036615 HJPRYFSYORDKOP-UHFFFAOYSA-N 427.505 2.525 0 50 IFAA O=C(CCC1CCN(C(=O)CCc2cn[nH]c2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 14969494 ZARCXUROHNLSEI-HSZRJFAPSA-N 437.588 2.752 0 50 IFAA COc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)cc1 14987177 VVLYAVNVXCRTBW-VSRDTVRMSA-N 425.533 2.910 0 50 IFAA O=C(N[C@H](C(=O)NCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2)C1CCCCC1 20389981 DZFPLIIZILEVQH-HUUFRCNWSA-N 431.621 2.716 0 50 IFAA COc1cc(CN2CCN(Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)cc(OC)c1 104453838 HSLFARILWHCVKR-HXUWFJFHSA-N 428.529 2.544 0 50 IFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](OCc2csc(C)n2)C1 170599087 ZOACDGPORQIKFI-NQIIRXRSSA-N 426.542 2.798 0 50 IFAA CCC[C@H](C(=O)OCC)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 252476988 GCGFHEPKAAPXBJ-IPMKNSEASA-N 439.597 2.946 0 50 IFAA CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 253392723 YXRPIOJLXYRXIS-DEOSSOPVSA-N 439.560 2.619 0 50 IFAA C[C@H]1CN(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C[C@H]1N1CCOCC1 435104759 HFWHBQTXPMMBFK-WMZHIEFXSA-N 436.556 2.844 0 50 IFAA O=C(O)c1cc2n(n1)CCN(Cc1nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]1)C2=O 1875249501 XIWCMQCHYRLGIS-UHFFFAOYSA-N 432.415 2.829 0 50 IFAA C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)C1CC(c2ccc(OC(F)(F)F)cc2)C1 1875263313 YHMIDFMNKDKMRN-AIDBPNLOSA-N 434.480 2.865 0 50 IFAA Cn1c(=O)n(CC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)c2ccccc21 1875330519 RXYJHQIKLLBHRA-JRSMBCBASA-N 433.508 2.614 0 50 IFAA Cn1c(=O)c2c(nc3n(C[C@@H](O)c4ccccc4)c(-c4ccc(Cl)cc4)cn23)n(C)c1=O 720379 SOXULTFYCWMQCJ-GOSISDBHSA-N 449.898 2.740 0 50 IFAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)CCn2cccn2)C1 12056999 QSEKVDIDWGHAKC-OAQYLSRUSA-N 427.593 2.584 0 50 IFAA C[C@@]1(C2CCN(C(=O)/C=C/c3cccnc3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O 12212529 HKPCGQMNKUCZHF-OKHPUOTASA-N 436.487 2.983 0 50 IFAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccccn1)CC2 14732143 LXVKZOPGNZWXLK-UHFFFAOYSA-N 438.528 2.536 0 50 IFAA COc1ccc(CCN2C[C@@H](C(=O)NCc3nncn3C3CCCCC3)CCC2=O)cc1 23478512 JKVIUZSZDWRCAW-IBGZPJMESA-N 439.560 2.889 0 50 IFAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 67772879 LNXNBRJEYGOPPC-AWEZNQCLSA-N 426.496 2.967 0 50 IFAA Cc1cc(S(N)(=O)=O)cc(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)c1C 170606757 HVIRGCFPZRBFEB-UHFFFAOYSA-N 428.514 2.500 0 50 IFAA COC(=O)c1nc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)sc1-c1ccc(F)cc1 206231681 JBPIEYIJBQGWCB-MRXNPFEDSA-N 438.444 2.950 0 50 IFAA C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CC(=O)NCc1ccccc1OC(F)(F)F)C2=O 241287507 LLZRUWOKOIVOSK-WURKVNMJSA-N 427.423 2.948 0 50 IFAA COc1ccccc1CCN1C[C@@H](C(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)CC1=O 253413714 VNFOMMRINDCVPS-FDFHNCONSA-N 427.589 2.809 0 50 IFAA biogenic O=C(c1cc(O)nc2ccc(Cl)cc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 1875252028 KLDHHGSOCVZZNG-UHFFFAOYSA-N 431.901 2.741 0 50 IFAA Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3cccc(NC(=O)C(F)(F)F)c3)C2)no1 1875332864 OLLOSEDUOVVYEN-LBPRGKRZSA-N 432.424 2.522 0 50 IFAA O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)OCc1ccc(Cl)cc1 2594472 OJARRBUCJVORDS-UHFFFAOYSA-N 439.693 2.692 0 50 IFAA CCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3cccnc3Oc3ccc(Cl)cc3)CN2C1=O 14744383 XEJNKEOOGKYERG-WBAXXEDZSA-N 442.903 2.525 0 50 IFAA O=C1CN(C(=O)[C@@H]2CCOC2)C[C@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14752419 NBAWQCXCUHNOIL-FYYLOGMGSA-N 440.515 2.661 0 50 IFAA COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@H](O)CN1CCC(O)CC1 15072338 PKBGLZXFUOVXDA-JOCHJYFZSA-N 426.557 2.671 0 50 IFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)N(C)c2cccc(C)c2)C2=C1C(=O)OC2 169764782 ZGAIQJZFNBEARY-JOCHJYFZSA-N 435.480 2.934 0 50 IFAA CCC[C@H](C(=O)OCC)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 229981818 GCGFHEPKAAPXBJ-GBESFXJTSA-N 439.597 2.946 0 50 IFAA Cc1nc(C)c(CC(=O)N2CCC3(CCc4c(O)nc(C(C)(C)C)nc43)CC2)c(O)n1 1940193407 WCAZGJRRDSNLHI-UHFFFAOYSA-N 425.533 2.641 0 50 IFAA O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 2883041 MSIINSIRNRUDQJ-KRWDZBQOSA-N 449.523 2.714 0 50 IFAA CC[C@@H]1CCCCN1CCCNC(=O)Cn1nc(C)n2nc(-c3ccccc3)cc2c1=O 9727619 WWRJPMQLYVQMSK-HXUWFJFHSA-N 436.560 2.637 0 50 IFAA COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)CN(C)C1CCCCC1 15070258 SSFOGFHGCHOPNK-HSZRJFAPSA-N 447.620 2.754 0 50 IFAA Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCN2CCOCC2)cc1 19781777 BNROTWAQEKDXGW-PGMHBOJBSA-N 427.932 2.868 0 50 IFAA CCOC(=O)N1CCC(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 36188480 BTCIVULDFMYMQP-UHFFFAOYSA-N 431.558 2.767 0 50 IFAA CC1(C)O[C@@H]2[C@H](COC(=O)c3ccccc3)OCO[C@@H](COC(=O)c3ccccc3)[C@H]2O1 100970508 PWLCYBVEONJDMJ-UWHLTILDSA-N 442.464 2.962 0 50 IFAA COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)cc(OC)c1 209312365 XVKLSEKTYYXKGR-UYAOXDASSA-N 430.505 2.672 0 50 IFAA COc1ccc([C@H]2N=C3NCN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)cc1OC 245229404 XBEFSQNRRQJJJP-VGSWGCGISA-N 448.527 2.776 0 50 IFAA O=C(NC1CCCC1)c1ccc(NC[C@@H](c2ccccc2Cl)N2CCOCC2)nn1 468643394 PSYNCJSJEBEFIP-FQEVSTJZSA-N 429.952 3.288 0 50 IFAA CC(=O)N1CCN(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)CC12CCCCC2 498252363 PEZKTMJZNJOWMW-OAQYLSRUSA-N 426.561 2.927 0 50 IFAA CCC[C@H](NC(C)=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1875344260 IHZLPUKERAXTNQ-MJGOQNOKSA-N 443.997 2.694 0 50 IFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CC1=O 2325819405 DFBNMNUPRDLBSX-HIFRSBDPSA-N 438.452 2.703 0 50 IFAA Cc1ccnc2c(S(=O)(=O)NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cccc12 2325819889 SZUMDLBTAFOBJK-WMZOPIPTSA-N 437.521 2.958 0 50 IFAA COc1cc(C(=O)N[C@@H](C)C(=O)Nc2ncc(C[C@@H]3CCOC3)s2)cc(OC)c1OC 2325854765 SYIQHEFHJNMGDY-STQMWFEESA-N 449.529 2.505 0 50 IFAA COc1cc(C(=O)N=[S@]2(=O)CCCN(C(=O)[C@@H]3CCOc4ccccc43)CC2)sn1 2332239155 YLGORPCHIGWXAU-FOGNVHKLSA-N 449.554 2.559 0 50 IFAA COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 2419211 GXQFJILSFNVXPG-MRXNPFEDSA-N 433.302 2.931 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1N(C)S(=O)(=O)c1ccccc1 4199874 GFZXRHHBPCXXGX-UHFFFAOYSA-N 438.571 2.941 0 50 IFAA CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NC2Cc3ccccc3C2)c1=O 12330383 OBDUUPLYSZHBNX-UHFFFAOYSA-N 429.520 2.738 0 50 IFAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 13844469 XBRVTXXFOYONKV-COKXLDBZSA-N 430.482 2.525 0 50 IFAA CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 15919206 WPMFCNNFILWEAD-CQSZACIVSA-N 434.389 2.558 0 50 IFAA COCCn1c(SCC(=O)NCCc2ccccc2)nc2c([nH]c3ccccc32)c1=O 16942780 LSISSWJAPXGGHM-UHFFFAOYSA-N 436.537 2.975 0 50 IFAA CCc1nnc(SCC(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)o1 55310099 JHDMSSUAWNMINF-SFHVURJKSA-N 429.590 2.846 0 50 IFAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1Cl 239274652 AMXSMFQLGWWOJK-KSEPHWCMSA-N 434.275 2.772 0 50 IFAA O=C(c1cn(C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nn1)N1CCCCC1 299756498 JDNJQTVVBVIEGZ-UHFFFAOYSA-N 437.953 2.583 0 50 IFAA CC(C)(c1noc(-c2ccc(C(N)=O)o2)n1)S(=O)(=O)c1ccc(Br)cc1 460747770 UDGZDMXOMCUJDO-UHFFFAOYSA-N 440.275 2.900 0 50 IFAA C=CC(=O)NC[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1nn(C)c2c1COCC2 1875383104 GTUDOLMCJALCHW-FPOVZHCZSA-N 436.556 2.649 0 50 IFAA Cn1c(N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)nc2cc(C(F)(F)F)cnc21 2325880113 VFUKKINIRKKBQF-GOSISDBHSA-N 444.461 2.915 0 50 IFAA C[C@H]1Cc2c(N)cccc2N1Cc1ccoc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 2325899378 AAOKKMZLXHAZEW-ZDUSSCGKSA-N 426.498 2.713 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccccc1Cl 724078 WAAMUJQNJOUNNF-CFINBHSISA-N 428.897 2.963 0 50 IFAA CCOc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 916354 PRXYCZDSDSPENN-QGZVFWFLSA-N 449.548 2.728 0 50 IFAA O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCCCO 2083070 VRGATVWDGYORMT-UHFFFAOYSA-N 429.567 2.917 0 50 IFAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(S(=O)(=O)c2c(C)noc2C)CC1 11842506 DYQOHKNCLRDVOX-UHFFFAOYSA-N 436.530 2.877 0 50 IFAA COc1cccc(C[C@]2(CCC(=O)NCc3cnn(-c4ccccc4)n3)CCC(=O)N2)c1 11975215 GERRDOMRJSPATG-DEOSSOPVSA-N 433.512 2.564 0 50 IFAA CCN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1cc(C)ccc1OC 16475482 WKOXKZQPOYIQEB-UHFFFAOYSA-N 449.548 2.502 0 50 IFAA CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)cc1 169775897 VPJDNDYLJXPRAK-UHFFFAOYSA-N 446.463 2.720 0 50 IFAA C[C@@H]1CN([C@@H](CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c2c(F)cccc2Cl)CCO1 230099456 GEEATKIKUODUAU-ALKREAHSSA-N 437.943 2.616 0 50 IFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 805257059 OTTRGAHXQPCOST-REHUZNOOSA-N 445.519 2.986 0 50 IFAA O=C1c2ccccc2C(=O)N1C[C@H]1CN(C(=O)C2(c3cccc(F)c3F)CC2)CCO1 2325828850 SUFLKLRQKVKRFR-CQSZACIVSA-N 426.419 2.520 0 50 IFAA O=C1CC[C@H](N2C(=O)c3ccc(OCc4ccccc4C(F)(F)F)cc3C2=O)C(=O)N1 2325893877 MSGUDHUVYHGZIM-INIZCTEOSA-N 432.354 2.686 0 50 IFAA CCOc1ccccc1C(=O)Nc1nnc(CNS(=O)(=O)c2ccc(C)cc2)s1 1154295 ZJEPYIGDQREEIN-UHFFFAOYSA-N 432.527 2.976 0 50 IFAA CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCNC(C)C 3826691 LNHWXBUNXOXMRL-VWLOTQADSA-N 433.508 2.620 0 50 IFAA biogenic,investigational Cc1ccc(C(=O)N2CCC(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)cc1C 15066127 LJWKMLPLCFWLCR-QHCPKHFHSA-N 427.589 2.915 0 50 IFAA Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)CC(=O)NC2CCCCC2)cc1 16320137 LXLUNSMZESLVOB-UHFFFAOYSA-N 449.617 2.884 0 50 IFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 19645500 VCRBEMFPSXYYNR-UONOGXRCSA-N 446.978 2.682 0 50 IFAA COc1ccccc1CN1CCN(C(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1 20451171 JCYOUISZIOKCRE-UHFFFAOYSA-N 425.920 2.946 0 50 IFAA COc1ccc2c(c1)O[C@@H](C)CN(CCC(=O)N1CCN(Cc3ncccc3C)CC1)C2 299775120 HFMQPVZKJGPPHP-FQEVSTJZSA-N 438.572 2.716 0 50 IFAA Cc1ccccc1-c1cc(NC(=O)C(=O)N2CCC[C@H](Oc3ncccc3F)C2)n(C)n1 427384150 WOLGNLFMOJKIEU-INIZCTEOSA-N 437.475 2.938 0 50 IFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)CC1 1704337218 SWDPDIDDORPZST-FQEVSTJZSA-N 435.524 2.529 0 50 IFAA CC(C)n1cnc(S(=O)(=O)N2CC(O)(c3ccc(Br)cc3Cl)C2)c1 2325850826 ITVSARIJGPYLSG-UHFFFAOYSA-N 434.743 2.772 0 50 IFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)NCc2ccc(-n3cccn3)cc2)c1=O 11972248 ATTQLYHPEAKLSE-UHFFFAOYSA-N 435.528 2.931 0 50 IFAA COc1ccc(CCN2C(=O)N[C@@](C)(C3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 12034281 VWJKYTBNDGJWTH-QHCPKHFHSA-N 425.485 2.694 0 50 IFAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)Cc2cnc3ncnn3c2)cc1 12707742 RLVHVZHBPIUDKF-IBGZPJMESA-N 431.500 2.691 0 50 IFAA COc1cccc(CN[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 14742510 PXLIOEQALSKISR-LJQANCHMSA-N 426.561 2.667 0 50 IFAA Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(N)=O)n2C)cc1C 17094493 BMXLQUXGXFIGAM-UHFFFAOYSA-N 425.514 2.841 0 50 IFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 21794620 UYVBANDYRAXZJZ-UHFFFAOYSA-N 448.493 2.518 0 50 IFAA COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(C(=O)OC)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O 33953227 XRLYZNSOXNPKOR-CBDALDGHSA-N 432.469 2.728 0 50 IFAA CC(C)N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)N(C)c4ccccc43)[C@@H]2C1=O 169712790 LEKAGIYBNROEHO-IYCJUYGXSA-N 442.519 2.564 0 50 IFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)[C@@H](C)Oc4ccccc4)ccn3n2)c1 169777072 MJZVTIKMLWQWAY-QGZVFWFLSA-N 432.480 2.755 0 50 IFAA CNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)ccc1OC 241719849 QQCNNOCYOHXPDD-IBGZPJMESA-N 445.585 2.635 0 50 IFAA COc1ccc(-c2cc(C(=O)N3CCc4nn(Cc5ccccc5)c(=O)cc4C3)[nH]n2)cc1 263618112 RHFPTWRNZYYLBT-UHFFFAOYSA-N 441.491 2.889 0 50 IFAA COc1cc(F)c(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c(F)c1 2325742640 IEQFHUOXDSRFHU-LLVKDONJSA-N 439.436 2.856 0 50 IFAA Cn1c(=O)c2c(nc3n(-c4ccc(O)cc4)c(C45CC6CC(CC(C6)C4)C5)cn23)n(C)c1=O 12427926 CWEGGJXCBPOYIT-UHFFFAOYSA-N 445.523 2.849 0 50 IFAA CN(Cc1ccncn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 13637079 XKQITKLRHUFZTL-HSZRJFAPSA-N 445.523 2.618 0 50 IFAA O=C(O)[C@H](NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1)c1ccc(O)cc1 238900011 HPOJIXKMQZIEKG-QLVMHMETSA-N 435.480 2.851 0 50 IFAA O=C1C[C@@H](c2c(F)cccc2F)c2c(O)nc(N3CCN(c4ccccn4)CC3)nc2N1 828323307 HBOWARDRUBDPJA-ZDUSSCGKSA-N 438.438 2.656 0 50 IFAA CC1CCN(C(=O)CSc2nnnn2-c2ccc(I)cc2)CC1 1057628 TUKNTNDOAUCBDM-UHFFFAOYSA-N 443.314 2.618 0 50 IFAA CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 1157449 KYIWLCVIVOVHDH-MJVIPROJSA-N 425.201 2.575 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1cccc(OC)c1 1201737 LPMMYYDDMCJFRW-LYPXWFNGSA-N 440.546 2.868 0 50 IFAA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1I 2058346 HDQPWINJCHICLO-OAHLLOKOSA-N 444.269 2.841 0 50 IFAA COC(=O)c1ccc(CNCC[C@H]2CCC(=O)N2Cc2cnn(-c3ccccc3)n2)cc1 11784215 RTXYFWJJYIPCQE-OAQYLSRUSA-N 433.512 2.725 0 50 IFAA COCC(=O)Nc1cc(C(=O)NC2CCOCC2)c2c(c1)ncn2Cc1ccc(F)cc1 12151323 VERILOVISPONQI-UHFFFAOYSA-N 440.475 2.717 0 50 IFAA NC(=O)C1CCN(C(=O)[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 12313843 XVLQOWFCFXLDIY-IBGZPJMESA-N 433.556 2.573 0 50 IFAA COC(=O)c1cc(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)ccc1Cl 12380203 JKEJEENQGSIMJY-UHFFFAOYSA-N 438.889 2.734 0 50 IFAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)C2=NN(C)C(=O)CC2)CC1 12592005 MVDPTALXYSNHHJ-QFIPXVFZSA-N 440.588 2.823 0 50 IFAA CCN(CC)[C@@H]1CCN(C(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)C1 19226954 NUQUDRQCOYTOHF-OAQYLSRUSA-N 425.577 2.549 0 50 IFAA COc1cc(C(C)=O)ccc1OC[C@H](O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 245284288 RJEFWYDMCBHJSE-HBAYXTBCSA-N 432.517 2.774 0 50 IFAA C[C@@H]1CN([C@H](CNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c2c(F)cccc2Cl)CCO1 252460542 GEEATKIKUODUAU-IDHHARJASA-N 437.943 2.616 0 50 IFAA Cc1ccccc1[C@]1(CC(=O)N(C)Cc2ccon2)CC(=O)N(Cc2ccncc2)C1=O 299787592 PKXCETDULUIDLJ-DEOSSOPVSA-N 432.480 2.624 0 50 IFAA CC(C)NC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1 1875259833 DDPLMECWPFRFIB-YWZLYKJASA-N 443.525 2.588 0 50 IFAA Cc1ccc(Cl)cc1N1C(=O)C(=CN[C@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 2082929099 WXEOBIUYQUXUGG-HNNXBMFYSA-N 430.913 2.953 0 50 IFAA O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CCCN1 2356162064 WAIMHOUQFZMPDE-JOCHJYFZSA-N 446.555 2.935 0 50 IFAA Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 1857947 KLJRVPJNVLHLKY-UHFFFAOYSA-N 444.487 2.934 0 50 IFAA COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N 2522915 HZHWTHQVDLDEPF-UHFFFAOYSA-N 429.502 2.724 0 50 IFAA CSCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 4537219 VXEXZNQIPZLQBX-RTBURBONSA-N 430.526 2.847 0 50 IFAA Cc1ccc(C)c(N2CCN(C(=O)Cn3cnc4nc5c(cc4c3=O)CCCC5)CC2)c1 8610473 FLISAJCYGGPWSR-UHFFFAOYSA-N 431.540 2.636 0 50 IFAA COc1ccc(CCN2C(=O)N[C@](C)(C3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 12034283 VWJKYTBNDGJWTH-HSZRJFAPSA-N 425.485 2.694 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)N[C@H](C)Cc2ccsc2)(c2ccccc2)C1=O 12041083 NCAFGUAKUPOHFQ-UZUQRXQVSA-N 428.554 2.919 0 50 IFAA CCOC[C@H](O)CNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12702535 LHXKKBNVOKKNRO-JOCHJYFZSA-N 426.557 2.900 0 50 IFAA COc1cccc(CO[C@@H]2CN(Cc3nc[nH]c3C)CC(=O)N(Cc3ccccn3)C2)c1 14732244 GXJMUHXLLPLGFH-JOCHJYFZSA-N 435.528 2.552 0 50 IFAA COc1ccc(CN2CCN(C(C)=O)CC2)cc1OC1CCN(C(=O)c2ccco2)CC1 23337890 PMZORLUNSKXGAB-UHFFFAOYSA-N 441.528 2.636 0 50 IFAA CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 764987286 BDTFMXSWXLKJQV-HZPDHXFCSA-N 427.542 2.528 0 50 IFAA Cc1ccccc1OCc1nc(-c2cnc(C)n2C)n(-c2ccc(S(N)(=O)=O)cc2)n1 1875347322 KZGUBBMAUPPNEU-UHFFFAOYSA-N 438.513 2.511 0 50 IFAA CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)(F)F 2325819508 HGDQZLIQZAXIJO-OAHLLOKOSA-N 429.439 2.659 0 50 IFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2F)cc1 1139645 HNPQCEOPNXTTJM-UHFFFAOYSA-N 431.283 2.856 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)s1 2709750 GWCUKXGEYWGMPF-UHFFFAOYSA-N 431.333 2.784 0 50 IFAA Cc1ccc(Cn2cc(-n3c(S)nnc3Cn3nnc(-c4ccccc4)n3)cn2)cc1 2808426 XVYGZXYWIGXXAA-UHFFFAOYSA-N 429.513 2.811 0 50 IFAA O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 2883042 MSIINSIRNRUDQJ-QGZVFWFLSA-N 449.523 2.714 0 50 IFAA CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1 8837265 DORDTVSEOQQPKD-IBGZPJMESA-N 439.537 2.862 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)Cc2ccccc2)cc1OC 9846975 KOVNAHCBXTXVGO-UHFFFAOYSA-N 432.542 2.907 0 50 IFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCCCCC3)N(Cc3sccc3C)C2)nn1 12028055 JVLXQUSQEGOMIF-AEFFLSMTSA-N 431.562 2.653 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3cccc(C)c3)cc2OC)CC1 20907584 BEZLZIHSFXXBJU-QHCPKHFHSA-N 427.589 2.671 0 50 IFAA CCCCNc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1OCCCC 33998808 PUDUMJZZKAXBBJ-SCFUHWHPSA-N 441.425 2.637 0 50 IFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccccc4OC)ccn3n2)cc1 169775829 ZHKOJOHPJDPBMW-UHFFFAOYSA-N 432.480 2.539 0 50 IFAA CC(C)c1c(N2CCC[C@H](C3OCCO3)C2)ncnc1N1CCC[C@@H](C2OCCO2)C1 225539881 GBVQHZUJGOAMRU-HDICACEKSA-N 432.565 2.779 0 50 IFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 253405287 IEYWBEROUPQPII-IRLDBZIGSA-N 439.475 2.909 0 50 IFAA biogenic C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC1CC1)c1cc(F)ccc1N1CCN(C)CC1 253433151 SRZAXRNLYUEWLQ-DBVUQKKJSA-N 428.552 2.616 0 50 IFAA O=C(NCC(F)F)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 263619641 ZTBBKGHYEHRKBK-QGZVFWFLSA-N 436.434 2.527 0 50 IFAA CCC1(C(=O)O)CCN(S(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 776701610 TWBOJTRNHXJSNT-GOSISDBHSA-N 438.546 2.694 0 50 IFAA Cc1cc(C(=O)N2C[C@@H]3[C@H](CNS(C)(=O)=O)[C@H]4CC[C@]3(C2)O4)sc1-c1ccccc1 1704343797 NPWSTZZURQYPKX-KCXPTXFHSA-N 446.594 2.892 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cc1ccc(F)cc1)C2 1857707627 WPMMZVYZOJMIIC-ZILOHOTNSA-N 432.536 2.651 0 50 IFAA Cc1c(C(=O)N[C@H]2CCCN(C(=O)[C@@H](c3ccccc3)C3CC3)C2)cnn1CCN(C)C 2325828610 MKFPZPANKRUQLV-GMAHTHKFSA-N 437.588 2.668 0 50 IFAA Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 1008206 FEKKDGDVBPPQPK-WQRHYEAKSA-N 436.493 2.860 0 50 IFAA COc1ccc(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1Cl 1119502 BIBRIADTLQQRGP-UHFFFAOYSA-N 425.894 2.712 0 50 IFAA O=C(c1cccc(COCC(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 2728366 FBOHHJWRIBEHES-UHFFFAOYSA-N 442.459 2.912 0 50 IFAA CN(CC(=O)Nc1cccc(I)c1)S(=O)(=O)c1ccccc1 2866859 WATFZHASMCHKPO-UHFFFAOYSA-N 430.267 2.550 0 50 IFAA COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2nc(O)ccc2=O)cc1C 11935050 ZDUVAAKDBIWBAG-VWLOTQADSA-N 444.491 2.922 0 50 IFAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(-c3ccc(C)o3)n[nH]2)CC1 12300440 JOBMYKJLDGPOTK-IBGZPJMESA-N 430.549 2.958 0 50 IFAA COc1ccc(OC)c(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c1 13009190 QHLXUULBRDKBLK-UHFFFAOYSA-N 437.504 2.650 0 50 IFAA COC(=O)Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 328589949 WUOLGXRQCJODAG-GJZGRUSLSA-N 434.514 2.914 0 50 IFAA CC(C)n1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)cc2c1=O 334162061 NMPGKMYVLWJGDI-AOIWGVFYSA-N 429.546 2.642 0 50 IFAA CC1(C)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)CC(=O)N1 1875317197 QRSOTVUMTILLJL-UHFFFAOYSA-N 427.935 2.553 0 50 IFAA COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ncn3)cc2)c1 1160111 AMOKONAACVFFIS-UHFFFAOYSA-N 444.469 2.556 0 50 IFAA CC(=O)N1CCCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1 12319183 TYAUAPQSSUGFIK-UHFFFAOYSA-N 436.556 2.819 0 50 IFAA COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cc1 12382662 LIVPONGUWTWOTN-UHFFFAOYSA-N 440.905 2.831 0 50 IFAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)[C@@H]1Cc3ccccc3O1)CC2 14742915 JSNCJYAGJUPNRK-QFIPXVFZSA-N 430.508 2.522 0 50 IFAA O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)N1CCc2ccccc21 19798745 STLCFGOHXFHUPI-UHFFFAOYSA-N 435.553 2.781 0 50 IFAA CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)c(OC)cc1Cl)CC2 20601452 PEDQRNGPPQAVHX-AWEZNQCLSA-N 435.956 2.669 0 50 IFAA CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC[C@@H]2CCCO2)CC1 23362861 UMRQIRGHLVPBEW-QHCPKHFHSA-N 441.547 2.914 0 50 IFAA COc1cc(OC)cc(C(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)c1 65363581 VASOTAQLTGXVTK-UHFFFAOYSA-N 425.533 2.755 0 50 IFAA O=C(O)c1cc(-n2ccc(-c3ccccc3)n2)cc(S(=O)(=O)N2CCSCC2)c1 71746439 ANZQIARNEBWZHB-UHFFFAOYSA-N 429.523 2.975 0 50 IFAA CC[C@@H](OC)C(=O)N[C@@H]1CCOC2(CCS(=O)(=NC(=O)c3ccoc3Cl)CC2)C1 2332238197 FOGTYKAMHJELJS-VWQSHLNNSA-N 446.953 2.794 0 50 IFAA CN1CCC(N(C)Cc2cccc(OC[C@@H]3CCCN(C(=O)c4cnsn4)C3)c2)CC1 11840772 MSCRXJKRAPGTOH-LJQANCHMSA-N 443.617 2.995 0 50 IFAA CCN(CC)[C@H]1CCN(C(=O)c2cn(CCC(C)C)cc(C(=O)NCC(C)C)c2=O)C1 12035097 MEJWVUYDEFSKDA-IBGZPJMESA-N 432.609 2.837 0 50 IFAA CCOC(=O)N1CCC(N2CCC3(CC2)C[C@@H]3C(=O)NCCCc2ccncc2)CC1 12242763 JRBBJZSLVVKTFO-OAQYLSRUSA-N 428.577 2.853 0 50 IFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3ccccc3N(C)C)C2)cc1 12306865 WMXKGQATPAJUHJ-KRWDZBQOSA-N 431.558 2.592 0 50 IFAA COc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O 13893805 ZRHAXJDSOFMINL-UHFFFAOYSA-N 441.399 2.755 0 50 IFAA O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1cccc3cccnc13)CC2 14988886 VTPVCWLOPHFOPZ-UHFFFAOYSA-N 426.524 2.744 0 50 IFAA COCC(=O)Nc1cc(C(=O)N2CCSCC2)c2c(c1)ncn2Cc1ccc(F)cc1 14990444 NXHYUAGJRUHCNO-UHFFFAOYSA-N 442.516 2.998 0 50 IFAA O=C(NCCN1CCOCC1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 17968176 QUZHSYCBZSWPFH-DZGCQCFKSA-N 429.468 2.667 0 50 IFAA CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)C[C@@H]2C[C@@H](C)NC(=S)N2)CC1 20637098 WOZPNBUSAFYORM-MJGOQNOKSA-N 431.602 2.806 0 50 IFAA CN1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)CC1 23134455 XYRZARFJJMDQKW-UHFFFAOYSA-N 448.614 2.539 0 50 IFAA COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 170597359 YCJCADYRKJCOOY-GDBMZVCRSA-N 429.439 2.693 0 50 IFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1c(F)cccc1Cl)CC2 299761634 YDUHSWYKEUTBBS-UHFFFAOYSA-N 433.911 2.944 0 50 IFAA NC(=O)c1ccccc1Oc1ccc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 485358195 PAVRSKSJCJBJFD-UHFFFAOYSA-N 440.481 2.547 0 50 IFAA O=C(Cc1cn2ccccc2n1)NS(=O)(=O)Cc1cc(Cl)ccc1Br 1875362345 ARUSPOIXXZAXBP-UHFFFAOYSA-N 442.722 2.939 0 50 IFAA Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(C)(=O)=O)c1 1146992 FZJCVUICDZKYDV-UHFFFAOYSA-N 441.509 2.923 0 50 IFAA O=C(COc1ccc(I)cc1)Nc1cc(C(=O)O)cc(C(=O)O)c1 9581539 KHMWINQPYVMSKH-UHFFFAOYSA-N 441.177 2.705 0 50 IFAA CCN(CC)C[C@@H](O)COc1ccc(CNCc2ccc(C(=O)OC)cc2)cc1OC 12112347 GPFRVSPRDHPVJD-OAQYLSRUSA-N 430.545 2.853 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(F)c(F)c2)CC3)cc1 12184093 JHMNHGHMPMHWOA-UHFFFAOYSA-N 441.482 2.596 0 50 IFAA CCN(CCN(C)C)C(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C1 12282918 RGLDPCZVCALOCU-AWEZNQCLSA-N 432.521 2.690 0 50 IFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)/C=C/c3c[nH]cn3)C2)c(OC)c1 12302439 NWNREHMKWYXPMY-JEJOPICUSA-N 426.517 2.775 0 50 IFAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2-n2cccn2)CC1 12755648 PHCSUPWJKGBPPR-NRFANRHFSA-N 426.561 2.852 0 50 IFAA CN(C)CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccc(O)cc2)C1 14743025 ZWCKAFMXLYCNFA-VQTJNVASSA-N 429.536 2.726 0 50 IFAA COCCN1C(=O)C[C@@](CC(=O)NC2C3CC4CC(C3)CC2C4)(c2ccccc2C)C1=O 14990323 DZYVFUAIUJVSPG-VQYQVCMRSA-N 438.568 2.969 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3cc(F)ccc3C)cc2OC)CC1 20450807 SNRNLTDSLVOYDV-QHCPKHFHSA-N 445.579 2.810 0 50 IFAA O=S1(=O)CC[C@H](c2noc(C3(c4ccc(Br)cc4)CCOCC3)n2)C1 225551253 JCAPFOCIAUZUBO-LBPRGKRZSA-N 427.320 2.831 0 50 IFAA C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC[C@H]1c1cccs1 239306065 GJOLZHRPGPDNFT-MJGOQNOKSA-N 433.599 2.807 0 50 IFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)O)CC2)cc1 245228049 ZVSUWYAOTPHDHM-PWIZWCRZSA-N 436.574 2.924 0 50 IFAA O=C(CN1CC[C@]2(CCCN(Cc3ccccc3)C2)C1)N[C@H](Cc1ccccc1)C(=O)O 2325730281 BVCLMURLCXVWIW-BVAGGSTKSA-N 435.568 2.787 0 50 IFAA NC(=O)c1ccc2[nH]cc(C3CCN(C(=O)N[C@H]4CCN(c5ccccn5)C4)CC3)c2c1 2325736692 HJFHPSYNTPMRKG-SFHVURJKSA-N 432.528 2.830 0 50 IFAA CCc1noc(COCC(=O)N[C@@H]2CCN(C(=O)[C@H](C)c3cc4ccccc4o3)[C@@H]2C)n1 2325829919 WEZULMBRXVLGOR-BFYDXBDKSA-N 440.500 2.804 0 50 IFAA C[S@@](=O)c1nc2ccc(NC(=O)c3cccc(NC(=O)CCn4ccnc4)c3)cc2[nH]1 2325878043 CMMZKMUYDWILRN-WJOKGBTCSA-N 436.497 2.778 0 50 IFAA CCOc1ccccc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1 869383 VBFUJYFPAMPSHR-UHFFFAOYSA-N 425.510 2.992 0 50 IFAA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 2830535 KCHICQUITDROPJ-YVLHZVERSA-N 444.484 2.986 0 50 IFAA COCCNS(=O)(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)cc1C 9722436 FVAGPFMVKUQKIW-UHFFFAOYSA-N 446.978 2.707 0 50 IFAA Cc1cc(C)n(C[C@H](C)N2CCC(N3CCC(C(=O)NCc4cccnc4)CC3)CC2)n1 11820459 UTUPLQGFCDYWJN-NRFANRHFSA-N 438.620 2.776 0 50 IFAA Cc1ccsc1S(=O)(=O)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 11956996 GHBCBWZZXFTSHS-QGZVFWFLSA-N 428.601 2.577 0 50 IFAA CC(C)CC[C@]1(C2CCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)NC(=O)N(CCN(C)C)C1=O 12035060 BNXIJKJZHNSJKR-VFOTVIGXSA-N 444.620 2.726 0 50 IFAA COc1cccc([C@]2(CC(=O)N3CCC(OC)CC3)CC(=O)N(C3CCCC3)C2=O)c1 12201724 QRWDQXPFUVSEFM-DEOSSOPVSA-N 428.529 2.662 0 50 IFAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1ccc(C)nc1)CC2 14531718 GJEMZWSDXSRVHB-UHFFFAOYSA-N 433.512 2.592 0 50 IFAA Cc1ccc(OCc2c(C(=O)NC(C)C)c(=O)cc(C)n2CCN2CCOCC2)cc1 14987785 HTADNDDTBMUPID-UHFFFAOYSA-N 427.545 2.515 0 50 IFAA CSc1cccc(NC(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1 64800255 ZSAXFLVGFGPAQE-UHFFFAOYSA-N 428.562 2.698 0 50 IFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)NCc2ccc(C)cc2)C2=C1C(=O)OC2 169758122 WCFBCFICBKNZAZ-JOCHJYFZSA-N 435.480 2.587 0 50 IFAA Cc1nn(C)c(C)c1[C@H]1CC(c2cccc(O)c2)=NN1c1ccc(S(N)(=O)=O)cc1 227173399 QXHMBMDTQGAMHJ-HXUWFJFHSA-N 425.514 2.746 0 50 IFAA COc1ccc(CNC(=S)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 788345501 ZWNZOILTPOGENL-LJQANCHMSA-N 445.560 2.516 0 50 IFAA Fc1cccc(-c2noc([C@@]3(C(F)(F)F)CCN(Cc4nnc5n4CCOC5)C3)n2)c1 952892685 ISZNSBMDTCZJPC-GOSISDBHSA-N 438.385 2.703 0 50 IFAA O=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1164257 BVLYBXYSWHOOCP-UHFFFAOYSA-N 431.297 2.972 0 50 IFAA CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cc2C[C@@H]1C 9396978 MWQCKZUFRYJCPX-IRXDYDNUSA-N 447.601 2.643 0 50 IFAA CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(C)cc1 12413183 ZBIVJWRTTCXTRW-MRXNPFEDSA-N 434.539 2.881 0 50 IFAA COc1ccc(CN2CCC(n3cc(C(=O)N4CCOCC4)nn3)CC2)c2ccccc12 12454996 HUZYDSWCUHWKEK-UHFFFAOYSA-N 435.528 2.749 0 50 IFAA COc1cc(CNCCCN2CCCC2=O)ccc1OC[C@H](O)CN(C)C1CCCCC1 12718382 HSHSTRRFBKCGHO-JOCHJYFZSA-N 447.620 2.802 0 50 IFAA C/C=C(\C)CN1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 14983557 QYSHFGQRIAGUIM-GTWHDPJTSA-N 445.951 2.659 0 50 IFAA COCc1c(C(=O)NCCn2ccnc2)c(=O)cc(C)n1CCc1ccccc1Cl 14988833 FNSCIYQIJUUWPH-UHFFFAOYSA-N 428.920 2.826 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CN(C)CCc3ccccc3)cc2OC)CC1 19741232 HQJRMAAGEQIJPA-DEOSSOPVSA-N 441.616 2.747 0 50 IFAA CC(C)N1C[C@H](NCc2ccc(F)c(F)c2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 32533069 OTVMFGHEKFOATF-NQIIRXRSSA-N 445.510 2.993 0 50 IFAA O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2cc(N3CCCC3)ncn2)CC1 36708276 IUNVJOKNHYURTH-UHFFFAOYSA-N 441.479 2.607 0 50 IFAA O=C1NCCN(Cc2cccc(F)c2)[C@H]1CC(=O)N1CCC(Oc2cccc(F)c2)CC1 55074173 QFHKAFCOVHOPRA-QFIPXVFZSA-N 443.494 2.725 0 50 IFAA O=C(NCc1ccccn1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 169774481 DXUWLRVVMKBNJG-QFIPXVFZSA-N 445.523 2.718 0 50 IFAA O=C(c1nnn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCN(c2ccc(F)cc2)CC1 263618695 VABOMZGUXIDRGK-FQEVSTJZSA-N 425.439 2.790 0 50 IFAA OCCN1CCN(Cc2ccc3c(c2)CN(Cc2c(F)ccc(F)c2F)CCO3)CC1 299758277 NUJPELIOHUGVDS-UHFFFAOYSA-N 435.490 2.608 0 50 IFAA COc1cc2c(cc1OC)[C@H](c1cccnc1)N(CC(=O)N1C[C@H](C)O[C@H](C)C1)CC2 1506403887 WRCXPTXMLFYLEQ-SRGWNRLKSA-N 425.529 2.682 0 50 IFAA CC(=O)N1CCSc2ccc(NS(=O)(=O)c3ccc4c(c3)C[C@H](C(=O)O)CO4)cc21 1875257126 QLKBYIOOCBLHCF-AWEZNQCLSA-N 448.522 2.582 0 50 IFAA O=C(c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCOCC1 630992 OQZHQSGWEDXEAE-UHFFFAOYSA-N 428.432 2.656 0 50 IFAA Cc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)cc1 2865354 QBRWWSNBJRJZFC-CYBMUJFWSA-N 429.523 3.000 0 50 IFAA COc1ccc(F)c(C[C@@]2(CCC(=O)N(CCO)Cc3ccccc3)CCC(=O)N2)c1 11839640 BMRWHKRVTUBVMK-DEOSSOPVSA-N 428.504 2.827 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H](C)Cc2ccccn2)CC1 12307071 UCTRXWNHHRDFMK-SFHVURJKSA-N 427.545 2.941 0 50 IFAA O=C1N[C@@H](CSCc2ccccc2)C(=O)N2CCN(Cc3cccc4ncccc34)C[C@H]12 14534786 ZMCGQULLKJVDBG-XZOQPEGZSA-N 446.576 2.679 0 50 IFAA COc1cccc(OC[C@H](O)CNC(=O)CCN2Cc3cc(C)ccc3O[C@H](C)C2)c1 15000653 TWHNVDDEDQZRBK-UYAOXDASSA-N 428.529 2.533 0 50 IFAA Cc1cccnc1CN1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)CC1 20451710 WBANLORRPVGDJX-UHFFFAOYSA-N 427.892 2.963 0 50 IFAA COc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1OC 20781049 PJUHILJDMVSENQ-UHFFFAOYSA-N 441.576 2.593 0 50 IFAA Cc1cc([C@@H](C)NC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)ccc1F 435135705 UDVXKNODTDEMJL-MRXNPFEDSA-N 434.537 2.953 0 50 IFAA N=c1ccnc(N2C[C@@H]3c4cccc5c4OC[C@]3(CNC(=O)CCc3cccc(c3)O5)C2)[nH]1 1857726543 WMRIZCQUMASOJX-CLOONOSVSA-N 443.507 2.726 0 50 IFAA C[C@@]1(c2cccc(-c3noc([C@@H]4C[C@H]4c4ccc5c(c4)OCCO5)n3)c2)NC(=O)NC1=O 1875329478 YJXJSKMBUQUXHA-PXAQALGRSA-N 432.436 2.834 0 50 IFAA Cc1nc(C(=O)N(C)CCCN(C)C(=O)c2nc(C)n3c2CCCC3)c2n1CCCC2 2325727867 IHJWAHZFWMUNMA-UHFFFAOYSA-N 426.565 2.603 0 50 IFAA COc1ccc(C2(C(=O)NC3CC(N(C)C(=O)c4cnn(C(C)C)c4C)C3)CC2)cn1 2325830066 ZQJRUZCORGLHTA-UHFFFAOYSA-N 425.533 2.627 0 50 IFAA CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 792740 QTNZOVBHTGQUTM-UHFFFAOYSA-N 443.525 2.732 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 904546 XUQWAMVYMTYUCB-AWEZNQCLSA-N 442.522 2.936 0 50 IFAA Cc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1Cl 1150773 QHRZXGXDPIQSQP-UHFFFAOYSA-N 439.940 2.902 0 50 IFAA C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2 11868017 QPOFPGYRKAJJGI-GOSISDBHSA-N 447.539 2.875 0 50 IFAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(Br)s1 16948854 FGLPPEJNDKWGHU-WVZRYYJFSA-N 433.320 2.677 0 50 IFAA O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1cccc(Cl)c1 100043827 OQLBDPLUSVHSOV-GOSISDBHSA-N 427.888 2.518 0 50 IFAA O=C(Nc1ccccc1)c1ccc(N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)nn1 170634091 NZEHLJUUBWPOMB-QFIPXVFZSA-N 442.523 2.656 0 50 IFAA O=C(CC[C@@H]1N=C(O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 252478932 AXODCLCWOALDCX-PTPDTQQLSA-N 439.434 2.667 0 50 IFAA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 886025669 RRQSDKQBRNZHRR-VQTJNVASSA-N 432.480 2.811 0 50 IFAA NC(=O)NC(=O)c1cccc(NC(=O)[C@H]2CCO[C@H]2c2cnn(-c3ccccc3F)c2)c1 1875329375 SOLMQVFOYWZRKF-LPHOPBHVSA-N 437.431 2.536 0 50 IFAA Cn1nc(CNC(=O)c2nccc3occc23)c2c1CCN(C(=O)c1ccc(F)cc1)C2 1875357422 HCVUDMZMALVELD-UHFFFAOYSA-N 433.443 2.829 0 50 IFAA COCCn1c(-c2cnc3onc(C)c3c2)nnc1N1CC[C@]2(C1)C(=O)Nc1ccccc12 2325703878 MUHUAPDFZNYWBI-HSZRJFAPSA-N 445.483 2.536 0 50 IFAA Cc1n[nH]c(C)c1C[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C 2325727862 FFMOWYFSJQIOPK-GJZGRUSLSA-N 430.597 2.731 0 50 IFAA CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C(=O)OCC)[C@@]12C(=O)Nc1ccccc12 1022841 DXLLVZFXTGLYEM-XMMPIXPASA-N 434.448 2.615 0 50 IFAA biogenic COc1ccc(OC)c(S(=O)(=O)NCc2nnc(SC)n2-c2ccccc2C)c1 14996639 HQJKDEHLYJWRNC-UHFFFAOYSA-N 434.543 2.793 0 50 IFAA C[C@@H]1C(=O)N2CCCc3cc(S(=O)(=O)N4CCN(c5ccccc5F)CC4)cc1c32 15941388 KOXRFDJSBGMYDY-HNNXBMFYSA-N 429.517 2.733 0 50 IFAA COc1cc(NC(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)cc(OC)c1 64800112 SGFVYNGRZCTXQQ-UHFFFAOYSA-N 426.521 2.757 0 50 IFAA COC(=O)c1nc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)sc1Cc1ccccc1 170625104 GXZYBJIAUKMFII-UHFFFAOYSA-N 441.509 2.778 0 50 IFAA COc1ccc(C(=O)N(C)[C@H](C)Cc2ccccc2C)cc1S(=O)(=O)N1CCOCC1 487426128 DFBRNSCYQYLTTG-GOSISDBHSA-N 446.569 2.728 0 50 IFAA COC(=O)Nc1cc(NC(=O)C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)ccc1F 727617517 WSINOZNLQQDDRS-RHSMWYFYSA-N 428.464 2.894 0 50 IFAA O=C1CCC[C@H](c2cccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)c2)N1 1439321045 MKPIWLTVRGTXJP-OAQYLSRUSA-N 441.553 2.511 0 50 IFAA COc1cccc([C@H]2CCN(C(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)C2)c1OC 1506398705 RTEVMZVEJAJYFX-KRWDZBQOSA-N 432.542 2.794 0 50 IFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NCCS(=O)(=O)c2ccc(F)cc2)s1 1506413120 HKWSPRARSQFRIH-UHFFFAOYSA-N 444.531 2.911 0 50 IFAA O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCCO 3002805 XYRAZZPEJHLTHD-UHFFFAOYSA-N 431.341 2.683 0 50 IFAA O=C1C[C@H](NCCc2ccccc2F)C(=O)N1c1ccc(I)cc1 8432481 ONDGIEGGDLKIIM-INIZCTEOSA-N 438.240 2.895 0 50 IFAA O=C(OCCOCCNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1Cl 8768374 QGSZJRNURNPITN-UHFFFAOYSA-N 443.308 2.906 0 50 IFAA CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)[C@H]2COc3ccccc3C2)CC1=O 14533101 JDYLOOBSIMBIJG-YADHBBJMSA-N 437.540 2.545 0 50 IFAA O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(Cc3cccc4cccnc34)C[C@H]12 14755426 WETFMZBFYRGAPT-LEWJYISDSA-N 434.927 2.642 0 50 IFAA COc1ccc(CCNC(=S)Nc2ccc(N3CCOCC3)c3nonc23)cc1OC 16345429 MLVVKQMXDIJNDL-UHFFFAOYSA-N 443.529 2.606 0 50 IFAA COC(=O)c1c(OCc2ccncc2)cc(=O)n2c1CCN(Cc1ccccc1OC)CC2 20210811 RWXSDLZGUGYPIH-UHFFFAOYSA-N 449.507 2.676 0 50 IFAA CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 225759093 FNNHEDDRSCHIDX-NRFANRHFSA-N 447.587 2.758 0 50 IFAA CCc1cccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)c1 263617603 ORIJWXQOWYQNMB-UHFFFAOYSA-N 449.496 2.714 0 50 IFAA COC[C@@]1(C)N=C(O)N([C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1=O 328594887 FNYDCEHSCKZHGN-IFXJQAMLSA-N 438.322 2.723 0 50 IFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 428001292 PMHHFWMPSYZMPL-GDXFKMMOSA-N 428.532 2.818 0 50 IFAA COc1ccc(NC(=S)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 788343613 SHFHEGWHMFICNN-KRWDZBQOSA-N 431.533 2.838 0 50 IFAA Cc1cccc(N2C(=O)N[C@H](CCC(=O)N(CCO)Cc3ccc(Cl)cc3)C2=O)c1 1875262596 ANGNOQOTNIVHFM-LJQANCHMSA-N 429.904 2.875 0 50 IFAA Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)c2ccccc21 1875330518 RXYJHQIKLLBHRA-HTUUBCJYSA-N 433.508 2.614 0 50 IFAA Cc1cc(C)n2nc(C)c(C(=O)N3CCCCNC(=O)C[C@H]4CCCCN4CCC3)c2n1 2100533347 LDGBIODSBZKYQR-HXUWFJFHSA-N 440.592 2.641 0 50 IFAA COc1ccc(/C=C/C(=O)NCCN2CCN(C(=O)/C=C/c3ccc(OC)cc3)CC2)cc1 16246724 DWIQMYDAFYTOQN-FNCQTZNRSA-N 449.551 2.691 0 50 IFAA C[C@@H]1CN(Cc2ccccn2)CCN1C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 225384531 ROKYRQWCOLNOME-GOSISDBHSA-N 442.585 2.649 0 50 IFAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)[C@@H](c3cccc(F)c3)N(C)C)CC2)n1 952972950 QRTCEIOOCZDWRC-QGZVFWFLSA-N 425.430 2.894 0 50 IFAA COc1ccc([C@H](Cc2ccccc2)NC(=O)CCc2c(C)nc3nc[nH]n3c2=O)cc1 1875260550 LGOUWASIAFTFBT-NRFANRHFSA-N 431.496 2.767 0 50 IFAA COc1cc(F)c(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c(F)c1 2325742641 IEQFHUOXDSRFHU-NSHDSACASA-N 439.436 2.856 0 50 IFAA Cc1cccc(NC[C@@H]2CCCN2C[C@@H](O)CN2CCC[C@@H]2CNc2cccc(C)n2)n1 2325750036 XAZYVWMZLXRNOK-JKHIJQBDSA-N 438.620 2.907 0 50 IFAA CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@]2(Cc3cccc(Br)c3)CCNC2)C1 2325828567 LEVGGMJZDXUJOY-NQIIRXRSSA-N 436.394 2.735 0 50 IFAA CCOC(=O)[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@]1(C)O)OCO3 8815970 LXOGFILEDJYPBT-SXWKCWPCSA-N 446.452 2.853 0 50 IFAA COC(=O)c1c(S(=O)(=O)NC2CC2)sc2c1CCN(C(=O)c1ccc(C)c(C)c1)C2 12278442 DVAPJPRPPUKEAR-UHFFFAOYSA-N 448.566 2.791 0 50 IFAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 12420581 KBKHFLIOUZWFOY-UHFFFAOYSA-N 438.933 2.974 0 50 IFAA COc1ccc(OC)c(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 19608258 HYKYMRHUQMWBDV-UHFFFAOYSA-N 430.501 2.688 0 50 IFAA CCNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 100578081 VKXGKUDFQHJNJH-LJQANCHMSA-N 427.526 2.732 0 50 IFAA Cc1sc2nc(CS[C@H](C)C(=O)NC3(CO)Cc4ccccc4C3)[nH]c(=O)c2c1C 225444644 KSCXDDRUFQOADX-CQSZACIVSA-N 443.594 2.869 0 50 IFAA CN(C[C@H]1CCCCO1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O 299766778 HEYBRJJMVCSUPM-PXDATVDWSA-N 435.524 2.696 0 50 IFAA COCCc1noc([C@H]2CCCCN2S(=O)(=O)c2cc(C(=O)O)ccc2Cl)n1 1506431439 KKTHEWQZHXNOIM-CYBMUJFWSA-N 429.882 2.526 0 50 IFAA CCc1cc(C(=O)Nc2ccc3nc(N(C)CC(=O)NC)[nH]c3c2)c2c(C)nn(CC)c2n1 1875351640 DBOKGYBSZQNGCL-UHFFFAOYSA-N 448.531 2.633 0 50 IFAA CCc1ccc(-n2cc(C(=O)Nc3cnn(CC(=O)Nc4ccc(OC)cc4)c3)nn2)cc1 1875351807 JVRGELUXQLAWSQ-UHFFFAOYSA-N 445.483 2.926 0 50 IFAA Cc1c(C(=O)NS(=O)(=O)c2cc(Cl)c(Br)s2)cnc2ccnn12 2325819814 QRDLVENZVKAHHX-UHFFFAOYSA-N 435.712 2.634 0 50 IFAA COCCN1C(=O)C[C@](CC(=O)N2CCC[C@H]2c2nccs2)(c2ccccc2F)C1=O 11787866 KPCFJKVPRZVCEU-HTAPYJJXSA-N 445.516 2.679 0 50 IFAA O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 11838296 DJJSPIIZYJGPGR-HXUWFJFHSA-N 425.573 2.866 0 50 IFAA COc1ccc(-c2noc(CN3CCCC[C@H]3CCN3CCOCC3)n2)c(OC)c1OC 11879946 CGHURMJGVGMYCM-KRWDZBQOSA-N 446.548 2.839 0 50 IFAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3ccc(C)o3)c2)CC1 11954356 FDHVTAKBPGAKPR-OAQYLSRUSA-N 430.545 2.845 0 50 IFAA Cc1cc(C)cc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)CN(C)C)n3CC2)c1 12050879 QVLYQNFAAKNVNC-NRFANRHFSA-N 426.609 2.718 0 50 IFAA Cc1cc(=O)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c(CCc2ccccc2)n1CCN(C)C 12509312 UKUSDUSZFZBUSE-BGYRXZFFSA-N 425.573 2.753 0 50 IFAA COc1cc(CNCCc2cnccn2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12594098 CTFCVCCVGKRRCW-QFIPXVFZSA-N 428.577 2.822 0 50 IFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC3CCCCCC3)N(Cc3ccccc3)C2)nn1 14993827 DHMOENBPLGSFFH-FPOVZHCZSA-N 425.533 2.719 0 50 IFAA COC(=O)c1ccccc1NC(=O)CN1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 20407864 GHMGQBUSHXXGHP-UHFFFAOYSA-N 449.507 2.644 0 50 IFAA Cc1ccc(Oc2cccc(C(=O)N3CCN(c4cc(N(C)C)nc(C)n4)CC3)c2)nn1 72442473 REWHWVLMXPQIJD-UHFFFAOYSA-N 433.516 2.704 0 50 IFAA O=C1C[C@@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccc(Br)cc1 100129826 WNXDFQMRTPAJFQ-QGZVFWFLSA-N 430.302 2.609 0 50 IFAA C[C@H](c1nnnn1-c1ccccc1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 170593425 XFNQGVXODBOCNI-OFNKIYASSA-N 445.571 2.532 0 50 IFAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)cc2)c1C 239203517 SNRYLPODDSFWEC-WRFANHODSA-N 433.486 2.778 0 50 IFAA COCc1c(C(=O)NCCN2CCCC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 299765909 ZISLOSITNRZTIO-UHFFFAOYSA-N 446.555 2.790 0 50 IFAA COc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCc4nnc(O)cc4C3)C2)c2ccccc12 479471943 BGDADYIMSDYORC-MRXNPFEDSA-N 446.507 2.781 0 50 IFAA COc1cccc(OCCN2CCN(C(=O)C3CCN(Cc4ccco4)CC3)CC2)c1 824785228 GKXVESFUYCZRNW-UHFFFAOYSA-N 427.545 2.723 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCOc2ccccc2C)C1 1857684530 RQJGYLXRPVYHFZ-OTNCWRBYSA-N 429.605 2.703 0 50 IFAA O=C(O)c1ccccc1CCC(=O)N1CCC[C@@H](Cn2cc(-c3cncs3)nn2)C1 1875326888 QLFQLFFNSMVLJJ-OAHLLOKOSA-N 425.514 2.971 0 50 IFAA O=C1C[C@@H](CC(=O)N[C@H]2CC[C@H](NC(=O)c3cccc4cnsc34)CC2)CCCN1 2325824211 UNFMBAYVFXVYSA-XIRDDKMYSA-N 428.558 2.760 0 50 IFAA CC(C)(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)n1cc(CCO)nn1 2325850621 CYBMKZSDMOEBCY-SFTDATJTSA-N 442.560 2.613 0 50 IFAA CCSC1(C(=O)N[C@H](CCN(C)C(=O)c2ccc3c(=O)n(C)cnc3c2)C(C)C)CC1 2325875770 BOUDPMGYWBQSFQ-GOSISDBHSA-N 444.601 2.822 0 50 IFAA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1 862486 ATVOSSIRTDARCB-IBGZPJMESA-N 427.457 2.988 0 50 IFAA CN(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 1066459 QKVNRCYCPRFZBA-UHFFFAOYSA-N 426.336 2.774 0 50 IFAA COc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCCC3)c1 9374704 XIYKTBDAZOKWSU-AWEZNQCLSA-N 448.566 2.805 0 50 IFAA CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)Cc2ccccc2)C3)n(C)n1 11785474 XCFXHWPTJHRBDW-UHFFFAOYSA-N 431.540 2.743 0 50 IFAA COC(=O)CCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 11843244 PRRTWEWHQIQPBD-HSZRJFAPSA-N 428.573 2.827 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)N(CC2CC2)C[C@H]2CCCO2)(c2ccccc2)C1=O 12098583 XAYMMWNXGJIZIK-BWKNWUBXSA-N 442.556 2.528 0 50 IFAA C[C@@H](NC(=O)c1nn(CCO)c2c1CN(Cc1cccc3c1OCO3)CC2)c1ccccc1 14534184 QFIXSJQYBJDRRF-QGZVFWFLSA-N 448.523 2.653 0 50 IFAA COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3N3CCCN23)cc1 19171616 ALKCFVQKXGUQPN-QRVBRYPASA-N 442.313 2.993 0 50 IFAA COc1cc(NC(=O)CN2C(=O)N[C@H](c3ccc(C)cc3)C3=C2COC3=O)cc(OC)c1 169780816 RJEUBHBBPCEAKF-OAQYLSRUSA-N 437.452 2.528 0 50 IFAA COC[C@@H](C)N(CC(=O)NCCc1ccc(OC)cc1)Cc1cc(OC)cc(OC)c1 1506411300 PTDCOJJZQDWQPL-GOSISDBHSA-N 430.545 2.908 0 50 IFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1nc(C)nc3cc[nH]c13)C2 1857683487 HJOBSBDFWVPQGG-IEGUWTFLSA-N 427.549 2.527 0 50 IFAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCN(c2nsc3ccccc23)CC1 1857728428 AZSYGQGPGMVQCF-UHFFFAOYSA-N 429.571 2.860 0 50 IFAA O=C(O)/C=C/C(=O)N(CCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 3095278 NUFHZMLAVMQAAW-DOJUMQAQSA-N 426.856 2.684 0 50 IFAA Cc1ccc(CNC(=O)CN2C(=O)[C@H]3CCCCN3c3ccc(C(=O)N(C)C)cc32)cc1 8610673 AEHWJJSSDMHLCV-OAQYLSRUSA-N 434.540 2.719 0 50 IFAA COc1cc2nc(N(C)C)c(CN(CCN(C)C)C(=O)C(C)C)cc2c(OC)c1OC 11971539 DJZMFYRENVDTFL-UHFFFAOYSA-N 432.565 2.873 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CCOc2ccccc2)c(C)c1C 12717423 YRWAJBHJOHXFBW-QFIPXVFZSA-N 439.556 2.540 0 50 IFAA CCn1cc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3CCc2ccc(OC)cc2)c(C)n1 14542349 ZJMQXGATALZNSI-UHFFFAOYSA-N 439.560 2.691 0 50 IFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N2CCN(Cc3cccs3)CC2)c1=O 14960827 HJRCXLGVYMAAEL-UHFFFAOYSA-N 444.601 2.835 0 50 IFAA O=C1C[C@@H](NCCc2ccccc2F)C(=O)N1c1ccc(I)cc1 18250375 ONDGIEGGDLKIIM-MRXNPFEDSA-N 438.240 2.895 0 50 IFAA CN(Cc1ccccc1)C1(CNC(=O)C[C@H]2CCS(=O)(=O)C2)Cc2ccccc2C1 19770327 BVQUWTHEHWDWBU-HXUWFJFHSA-N 426.582 2.597 0 50 IFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1)[C@@H]2C(=O)O 225688752 MGSFTDAWOKSRAH-DTTOXWODSA-N 426.473 2.575 0 50 IFAA O=C1CC[C@@](CCC(=O)N2CCN(C(=O)c3cccs3)CC2)(Cc2ccccc2)N1 299783453 YNSAQEFJASHFHO-HSZRJFAPSA-N 425.554 2.704 0 50 IFAA COCCCn1c(C)cc(O)c([C@H](CC(=O)OC)c2cc3ccccc3nc2O)c1=O 824396203 ATRBTQPWQUKVIM-MRXNPFEDSA-N 426.469 2.848 0 50 IFAA biogenic COc1ncc(-c2cn(CC(=O)Nc3ccccc3C(=O)NCc3ccccc3)nn2)s1 1875323134 YKHQGKWWCCXVGM-UHFFFAOYSA-N 448.508 2.979 0 50 IFAA O=C(c1cncs1)N1CCC[C@](Cc2cn(CCc3ccccc3)nn2)(C(=O)O)C1 1875324522 BSAMLSPGTOKUSY-OAQYLSRUSA-N 425.514 2.527 0 50 IFAA O=C1C[C@H]2CCCCN2CCCN(C(=O)c2csc(-c3ncccn3)n2)CCCCN1 2100533556 UWFWDXCRGGVFKA-QGZVFWFLSA-N 442.589 2.587 0 50 IFAA CN(C(=O)c1cnc([C@H]2CCCO2)s1)C1CC(NC(=O)[C@@]2(C)CC(C3CC3)=NO2)C1 2325829457 KMVLEQDRTQDSTC-MUHNZFQQSA-N 432.546 2.659 0 50 IFAA Cn1cc(C(=O)N=S2(=O)CCC3(CC2)C[C@@H](NC(=O)C[C@@H]2C=CCCC2)CCO3)cn1 2332238358 OGFJRPRMBNIGBO-VJPZWZGDSA-N 448.589 2.603 0 50 IFAA COCCNC(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(C)cc1 3004816 AWDCGPGLDPSOSE-UHFFFAOYSA-N 428.913 2.741 0 50 IFAA CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2cccc(OC)c2OC)CC3)CC1 11881964 BGVQBVOUOYPWCF-LJQANCHMSA-N 445.560 2.607 0 50 IFAA Cc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)N3C2)cc1C 14741478 CKEARZKKHQSLHS-UFYCRDLUSA-N 440.931 2.789 0 50 IFAA COCc1ccc(CN2CCc3c(c(C(=O)N[C@H](C)c4ccccc4)nn3CCO)C2)o1 14742652 PJLNBVMBEATHJN-QGZVFWFLSA-N 438.528 2.664 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)NCC1(N2CCCCC2)CCCCC1 15065313 BFPLKNJTOWWPIX-QFIPXVFZSA-N 426.605 2.682 0 50 IFAA CN1CCC(CN(CCc2ccccc2)C(=O)[C@H](c2cccnc2)N2CCOCC2)CC1 20204556 UAWZSYPENMQHLR-VWLOTQADSA-N 436.600 2.868 0 50 IFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2)C2=C1C(=O)OC2 169758124 DUAKJDOTFHQCKE-HXUWFJFHSA-N 425.416 2.740 0 50 IFAA COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Br)nc2O)cc1 170611642 XHQDFMWNXMPKAB-UHFFFAOYSA-N 436.291 2.870 0 50 IFAA Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@H](C)C(=O)N3CCCCC3)CC2)cc1 252430670 CWZXEKCVSLOCHL-VAMGGRTRSA-N 449.617 2.597 0 50 IFAA COc1ccc(C(=O)N2CCC(C(=O)N3CCCN(Cc4cccnc4)CC3)CC2)cc1 1506395729 FLBLQUJTUNWINT-UHFFFAOYSA-N 436.556 2.677 0 50 IFAA Cn1cccc(NC(=O)N2CC[C@@](c3nc(-c4cccnc4)no3)(C(F)(F)F)C2)c1=O 1775960331 GFOQFTCMMFSPQA-GOSISDBHSA-N 434.378 2.568 0 50 IFAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)[C@H]1CCc3ccccc31)CCCC(=O)NCCO2 1857698789 IHITWVJISIJHKK-NRFANRHFSA-N 449.551 2.572 0 50 IFAA Cc1ccc(S(=O)(=O)N2CC3CC(F)(C3)C2)c(N2CCC(OCC(F)F)CC2)n1 1875335942 MXUXUNKQVKHKIO-UHFFFAOYSA-N 433.496 2.763 0 50 IFAA O=C1CN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C2(CCNCC2)N1 1875360368 GRZBHTBUYSUTCQ-VAWYXSNFSA-N 427.508 2.591 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CC1=O 2325819404 DFBNMNUPRDLBSX-DZGCQCFKSA-N 438.452 2.703 0 50 IFAA O=C1C[C@@H](c2ccccc2)NCCCN(C(=O)CN2CCc3ccccc3C2)CCCCN1 2356163152 ZMBQYQUCPJLTNE-VWLOTQADSA-N 448.611 2.894 0 50 IFAA O=C(NC[C@@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1 1494180 KGFYHTZWPPHNLQ-CQSZACIVSA-N 435.889 2.520 0 50 IFAA in-vitro Cc1c(C(=O)NCCCn2cc(C(=O)N3CCSCC3)nn2)[nH]c2ccc(Cl)cc12 12078950 NGLGPNBHZARGFR-UHFFFAOYSA-N 446.964 2.730 0 50 IFAA COc1cc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)ccc1O 12162610 IOYHZNFMDKPNCH-SFHVURJKSA-N 449.555 2.861 0 50 IFAA COCCCNC(=O)[C@@H]1C[C@H](COc2ccc(C)nc2)CN(Cc2ccc(O)cc2)C1 14744575 MFZXQCOYZOUTDN-LEWJYISDSA-N 427.545 2.765 0 50 IFAA CCN1CCN(C[C@H](O)COc2cccc(CNCCCc3scnc3C)c2)CC1 19224693 MOKVIXGWJZQHNS-NRFANRHFSA-N 432.634 2.551 0 50 IFAA Cc1ccsc1CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 20212244 SGXBYWKLYOFCPC-UHFFFAOYSA-N 427.549 2.747 0 50 IFAA CCc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1 20598355 DUESPPRGAXAUDZ-UHFFFAOYSA-N 425.508 2.532 0 50 IFAA COc1ccccc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55042639 HXBSJZODAQAKGR-GOSISDBHSA-N 435.446 2.721 0 50 IFAA CC(=O)N1CCC(c2nc(-c3nnn4c3CO[C@H](c3ccc(Cl)cc3)C4)no2)CC1 169769264 SDUGQKHNWRNDMA-KRWDZBQOSA-N 428.880 2.979 0 50 IFAA CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 239297288 DYPWYALADNLMHN-SRTKAIALSA-N 433.379 2.920 0 50 IFAA C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC[C@H]1c1cccs1 239306064 GJOLZHRPGPDNFT-HKUYNNGSSA-N 433.599 2.807 0 50 IFAA COC(=O)c1nc(NC(=O)C[C@H]2N=C(O)N(Cc3ccccc3)C2=O)sc1C(C)C 252536908 JUDGDWZNWVBLMO-CYBMUJFWSA-N 430.486 2.707 0 50 IFAA COc1ccc([C@@H](C)Nc2ccc(OC)c(-n3nnnc3C)c2)cc1CN1CCOCC1 2325727012 OKVCTXXPWCQIIC-MRXNPFEDSA-N 438.532 2.993 0 50 IFAA Cc1n[nH]c(C)c1C[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c(C)n[nH]c1C 2325727861 FFMOWYFSJQIOPK-GASCZTMLSA-N 430.597 2.731 0 50 IFAA COc1cccc(Oc2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C)c1 1127206 RONXSPBJAXOPAE-UHFFFAOYSA-N 426.860 2.936 0 50 IFAA CSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cc2c(cc1Br)OCO2 9559865 XAZGKQBBFVFNPY-NSHDSACASA-N 428.304 2.962 0 50 IFAA COC(=O)CCN1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CC(C)C 14751914 NVAGORCYIPGTEO-UHFFFAOYSA-N 431.533 2.513 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCc1ccccc1OC(F)(F)F 55360592 GVHVNUDJRIINER-OAHLLOKOSA-N 427.448 2.654 0 50 IFAA Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCN(C)CC1 72115595 SYDGJSTUQFGGJU-UHFFFAOYSA-N 425.913 2.976 0 50 IFAA O=C1C[C@@H](Cc2ccc(NC(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)cc2)C(=O)N1 170635441 IPJULFGCTBZTNR-KDOFPFPSSA-N 425.872 2.537 0 50 IFAA O=C(Nc1nccs1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc2c(c1)OCCO2 222043505 PGUJAMLMEJPJMF-BPUTZDHNSA-N 449.554 2.875 0 50 IFAA COc1ccc2c(ccn2CCNC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3)C2=O)c1 252523252 CESBEXCMWNVADQ-HXUWFJFHSA-N 434.496 2.871 0 50 IFAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3ccc4cc[nH]c4c3)N=C2O)cc1OC 252536368 IHACQMFLMVUFHN-GOSISDBHSA-N 436.468 2.881 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CC(=O)Nc2cnccc21 461766608 WQEFXGKHGBQJHT-HNNXBMFYSA-N 428.514 2.552 0 50 IFAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(CC1=Cc3cccc(OC)c3OC1)CC2 824091038 KBIOYJUPCTUQSE-UHFFFAOYSA-N 435.528 2.597 0 50 IFAA Cc1ccc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1NC(=O)C1CCCC1 952981782 ISHCESLYPOCFOS-UHFFFAOYSA-N 435.528 2.580 0 50 IFAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1615637229 WWMPDKXEDHFRKZ-AVRDEDQJSA-N 430.512 2.596 0 50 IFAA COc1ccc(-c2cc(NC(=O)c3cccc(S(=O)(=O)N(C)OC)c3)ncn2)cc1 1875357284 ZQGNMTUNQJLUIP-UHFFFAOYSA-N 428.470 2.586 0 50 IFAA CC(C)CN(C(=O)[C@H]1C[C@H]1C(=O)N(CC(C)C)C1CCN(C)CC1)C1CCN(C)CC1 2325737724 WSPHUEUVBYCMMM-ZRZAMGCNSA-N 434.669 2.780 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CN3CCc4ccccc4C3)cc2OC)CC1 20363616 UFSDDDXYPSTTHO-DEOSSOPVSA-N 439.600 2.631 0 50 IFAA Cc1ccccc1N1CCCN(C(=O)C[C@@H]2C(=O)NCCN2CC2CCCCC2)CC1 20997050 IKFMJOHUPOMEES-HSZRJFAPSA-N 426.605 2.805 0 50 IFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2-n2cccn2)CN1Cc1ccc(OC)c(C)c1 64066866 CLYRNKIKDSRYDP-UGKGYDQZSA-N 448.523 2.735 0 50 IFAA COc1ccccc1OCC(=O)NC[C@H](NC(=O)COc1ccccc1OC)C(C)(C)C 252500534 SXIUFUZQQCHFRT-NRFANRHFSA-N 444.528 2.809 0 50 IFAA O=C(NCCCOC[C@H]1CCCO1)NCc1noc(-c2cccc(Br)c2)n1 253425895 WKCRNQINPMBAKH-OAHLLOKOSA-N 439.310 2.884 0 50 IFAA Cc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1 468853339 FMYIZXZBYIORKA-GCJKJVERSA-N 432.524 2.861 0 50 IFAA Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(N4C[C@@H](C(=O)O)CC4=O)cc3)cc2)o1 497465639 HNIMVVLMALIQCA-HNNXBMFYSA-N 441.465 2.888 0 50 IFAA O=C1N[C@]2(C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)C(=O)N1CN1CCC(c2nnc3ccccn23)CC1 799127577 CEPYNXXPNRDTIV-TTYPXMTQSA-N 434.544 2.613 0 50 IFAA Cc1cc(C(F)(F)F)nc(N2CCN(C3CCN(C(=O)c4ccncc4)CC3)CC2)n1 1506424788 CDZPVKZGHFCWDT-UHFFFAOYSA-N 434.466 2.626 0 50 IFAA CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)CCc1cc2ccccc2nc1O 2325718094 BBFYWWVVZDLLBP-UHFFFAOYSA-N 439.443 2.652 0 50 IFAA COc1ccc(C)cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C 642307 MKTDENLLZYJSMD-UHFFFAOYSA-N 443.504 2.932 0 50 IFAA COc1ccc(N(CC(=O)NC[C@@H](O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 3664932 UDGBWYODEKFTBJ-JOCHJYFZSA-N 440.521 2.740 0 50 IFAA biogenic C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCl 4014925 MHUNHTADZGKXNC-YIOWFREUSA-N 438.948 2.571 0 50 IFAA Cc1c(C)n(Cc2ccncc2)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 9344292 BRSTYOBBTNBWHW-UHFFFAOYSA-N 437.463 2.935 0 50 IFAA Cc1noc(C)c1C(=O)N1CCC([C@@]2(C)NC(=O)N(C3Cc4ccccc4C3)C2=O)CC1 12055593 UFNJTHNHGZPFSS-XMMPIXPASA-N 436.512 2.622 0 50 IFAA Cc1c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)sc2ncnc(NCCc3ccccc3)c12 12199710 XROQGQNJEMXZCU-INIZCTEOSA-N 444.582 2.819 0 50 IFAA COc1ccc(CN(C)Cc2nonc2C)cc1OC[C@H](O)CN(C)Cc1ccccc1 12439841 WWHBQZQJNUGFEG-OAQYLSRUSA-N 440.544 2.890 0 50 IFAA CCOCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 12750477 UUMKPWZSNSIAHO-QFIPXVFZSA-N 425.529 2.712 0 50 IFAA COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)NCc2ccccc2Cl)c1=O 14884462 SLEJVZLGFIMLJJ-UHFFFAOYSA-N 433.936 2.854 0 50 IFAA O=C(CC[C@H]1CCCN(C(=O)C2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 14954381 UQSHOVDELFRNSY-JOCHJYFZSA-N 427.589 2.776 0 50 IFAA COc1ccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)n3)CC2)cc1OC 65365733 PSZSXKGRUNAIPS-UHFFFAOYSA-N 436.516 2.567 0 50 IFAA O=C(O)c1cc(-c2cccc(-n3cccn3)c2)cc(S(=O)(=O)N2CCSCC2)c1 71749032 ZPDQVXZDZBPEND-UHFFFAOYSA-N 429.523 2.975 0 50 IFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 72139996 CSQWGJKCCGUQLG-UHFFFAOYSA-N 447.946 2.683 0 50 IFAA COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1C(=O)N(c3cccnc3)C(=O)[C@H]12 245326465 KQCJXOWIFYILBM-DMAMZFHHSA-N 438.094 2.848 0 50 IFAA COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2ccc(Cl)cc23)c1 253386480 WWVKMMNZJNDWBR-RULACWDSSA-N 445.903 2.502 0 50 IFAA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccccc1OCc1ccccc1F 253471003 JVJXIJAVHIVKPE-INIZCTEOSA-N 441.459 2.534 0 50 IFAA O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 433575723 OJMMKUITVLHGEC-DOPYIHRPSA-N 430.504 2.804 0 50 IFAA CSCC(=O)N1C[C@@H]2CN(C(=O)c3scc4c3CCCC4)C[C@@]2(CCC(=O)O)C1 1772804066 FEDPUSHQCHTQTK-QVKFZJNVSA-N 436.599 2.755 0 50 IFAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)c1cc(C)cc(C)c1 1067002 HJIOTDUUOJTYJD-UHFFFAOYSA-N 432.542 2.675 0 50 IFAA CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OC)cc2)N(CCc2ccccc2)C1=S 8916101 CNHDYFRBDBAJOQ-LJQANCHMSA-N 439.537 2.862 0 50 IFAA Cc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)c1cnsn1)C2 12151788 YQIVOPSUNSLLJM-SNAWJCMRSA-N 425.539 2.831 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)NCC1(N2CCCCC2)CCCC1 12199027 KIACVOJRTQHUSQ-FQEVSTJZSA-N 448.558 2.570 0 50 IFAA CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 12439311 ILQVKFPLZJHZDP-JOCHJYFZSA-N 427.432 2.629 0 50 IFAA COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCn2ccc3ccccc32)c1 12448577 CTWOABKMSYTWRL-QHCPKHFHSA-N 434.540 2.547 0 50 IFAA O=C(Nc1ccccc1C(F)(F)F)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 14533802 VHGOAFRSKDRJGJ-QGTPRVQTSA-N 446.429 2.538 0 50 IFAA O=C([C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCCN(c2nc3ccccc3o2)CC1 14882193 IIVBCDAYUDFFSR-QFIPXVFZSA-N 448.479 2.983 0 50 IFAA CCn1ncc(-n2c(C34C[C@@H]5C[C@H](C3)CC(n3nnc(C)n3)(C5)C4)n[nH]c2=S)c1C 17094540 VLDXSBXWISHEAJ-JNKARSBBSA-N 425.566 2.997 0 50 IFAA CC(C)CC[C@@]1(C2CCN(C(=O)[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)NC(=O)N(CCN(C)C)C1=O 43619464 BNXIJKJZHNSJKR-UVYNTUDKSA-N 444.620 2.726 0 50 IFAA O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c(S(=O)(=O)N2CCC(O)CC2)c1 148320009 KKMFSVNFPUPGCA-UHFFFAOYSA-N 432.395 2.641 0 50 IFAA in-vitro COc1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)ccc1O 245247564 WCMOOBPRZMZNNB-RVKKMQEKSA-N 426.416 2.670 0 50 IFAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CCSc1nnc(-c3ccncc3)o1)C2 952978499 AHDDWQIPNYJZDM-CQSZACIVSA-N 426.498 2.990 0 50 IFAA Cc1onc(-c2cccs2)c1C(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1468462972 UQKSJDCTAWPSKN-UHFFFAOYSA-N 434.543 2.567 0 50 IFAA O=C(CN1CCOC1=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857690479 FMTLKXUEIBXSLW-NRFANRHFSA-N 429.561 2.927 0 50 IFAA Cc1ccc(-n2c(S[C@H]3CCN(c4ccn(C)n4)C3=O)nnc2-c2cnccn2)cc1 1875262674 YCCUDBMSJHIZBY-KRWDZBQOSA-N 432.513 2.664 0 50 IFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)cc1 785344 KIUVDPXQRBRANA-UHFFFAOYSA-N 449.960 2.568 0 50 IFAA COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 1050872 OXDLFWAYHCVHBX-UHFFFAOYSA-N 446.525 2.814 0 50 IFAA O=C(CCCN1C(=O)c2ccccc2C1=O)O[C@@H]1CSC[C@@H]1NC(=O)c1ccccc1 1070902 RAJPRPMKDJYCLH-RBUKOAKNSA-N 438.505 2.520 0 50 IFAA C[C@@H](C(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1)N1CCCC1=O 12466225 ICHCDGCMTJLBSA-SFHVURJKSA-N 437.544 2.629 0 50 IFAA CC(=O)N1[C@H](C)CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1C 30819407 IFYSRUMRQMXIEJ-NXEZZACHSA-N 437.418 2.897 0 50 IFAA CSc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1 257372080 WALXNCFWODQORO-RXVVDRJESA-N 443.617 2.908 0 50 IFAA CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2ccccc2OC(F)(F)F)CC1 823117637 YTONZOFCEMFDBO-ZDUSSCGKSA-N 437.422 2.697 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC1)OCC2 1704312208 FFDVFJRLGAQMBS-SFHVURJKSA-N 442.556 2.885 0 50 IFAA O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)CC1 1704357862 ZEGFDJARYBWYEE-WIYYLYMNSA-N 427.932 2.649 0 50 IFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3nc(-c4ccco4)no3)CCSCC2)o1 1776111903 WMQFEKUBTZSCII-UHFFFAOYSA-N 445.497 2.811 0 50 IFAA Cc1csc2nc(CC(=O)NS(=O)(=O)Cc3cccc(Br)c3)cn12 2325824047 NHXYTKMKMKKPSD-UHFFFAOYSA-N 428.333 2.655 0 50 IFAA COc1ccc([C@@H]2[C@@H](c3nc(C)nn3C3CCN(C)CC3)OCC(=O)N2C2CC2)cc1 2356144259 PHBQEUGHDYNRMA-YADHBBJMSA-N 425.533 2.665 0 50 IFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)nn1 12123919 REPWLUFHZVFTRU-KRWDZBQOSA-N 431.537 2.623 0 50 IFAA COc1ccccc1[C@@]1(CC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)CC(=O)N(C)C1=O 12205428 IHCDOGCRNNKROT-SIBVEZHUSA-N 448.519 2.833 0 50 IFAA CN(C)CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2ccccc2)C1 14749237 MRLAHQUFCRKXSG-BJKOFHAPSA-N 448.611 2.930 0 50 IFAA CN(CCO)C(=O)c1cn(C2CCN(CC(c3ccccc3)c3ccccc3)CC2)nn1 19145211 NMNVXTCVZAZEDF-UHFFFAOYSA-N 433.556 2.811 0 50 IFAA COc1ccc(-c2nc(CN(CCO)[C@H]3CCS(=O)(=O)C3)c(C)o2)c2ccccc12 20448640 MGWQNBVBINQJJU-INIZCTEOSA-N 430.526 2.793 0 50 IFAA OCc1csc(CNc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)n1 170598761 XQVANDQQEJUFST-UHFFFAOYSA-N 431.587 2.963 0 50 IFAA COc1ccccc1NC(=O)COc1ccc(C(=O)N2CC[C@H](O)C2(C)C)cc1OC 242302253 YQVSPLBTJYUMOA-FQEVSTJZSA-N 428.485 2.707 0 50 IFAA O=C1CCc2cc(S(=O)(=O)NC(=O)c3ccc(-c4noc(C(F)F)n4)cc3)ccc2N1 253424840 LDQKLEIAWCVPLV-UHFFFAOYSA-N 448.407 2.678 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1OC 1156867 ABGXWTVYBRZUEL-INIZCTEOSA-N 432.542 2.982 0 50 IFAA CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC 6821400 DNMISKGVNCVSCQ-NDXORKPFSA-N 442.512 2.934 0 50 IFAA O=C(NCCN1CCOCC1)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 9850820 MKLACUBEAVGYNY-UHFFFAOYSA-N 437.584 2.926 0 50 IFAA COCCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H]2c2nccs2)(c2ccccc2F)C1=O 11787863 KPCFJKVPRZVCEU-VGSWGCGISA-N 445.516 2.679 0 50 IFAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 14955011 PFCWOXFAYUMNIV-XMMPIXPASA-N 449.511 2.917 0 50 IFAA CN(C)CC(C)(C)CNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O 14987090 PQXZZWTWDGHZKS-UHFFFAOYSA-N 430.593 2.907 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1cccc(OC)c1 20345183 KCRRQMWVHUMBNI-UHFFFAOYSA-N 431.448 2.699 0 50 IFAA COc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)c(OC)c1C 20599665 YVSFJZWPHOHEOD-IBGZPJMESA-N 429.565 2.885 0 50 IFAA COC(=O)[C@H](c1c(F)cccc1Cl)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 170594151 RTXKBEWYXOBFMZ-BEFAXECRSA-N 425.932 2.712 0 50 IFAA Cc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)c(C)c1 263617233 MVJIYZZHYNJZOQ-UHFFFAOYSA-N 449.496 2.768 0 50 IFAA CN(CCNC(=O)c1c[nH]nc1-c1ccc(Cl)s1)S(=O)(=O)c1ccc(F)cc1 437485601 YYMRBAAUILDEEL-UHFFFAOYSA-N 442.925 2.981 0 50 IFAA CNC(=O)c1ccc(OC)c(NC(=O)c2cccc(-c3cnc4nc(O)n(C)c4c3)c2)c1 487049462 STDWWZUGOALLFU-UHFFFAOYSA-N 431.452 2.961 0 50 IFAA Cc1cccc(COc2ccc([C@H](C)NC(=O)N(CCO)CCN3CCOCC3)cc2)c1 487830331 DCODFIKVEXSOLQ-NRFANRHFSA-N 441.572 2.971 0 50 IFAA Cc1ncc(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c(-c2ccccc2)n1 670455615 SHTPSZHKLBANIM-PYLWXJQRSA-N 439.563 2.749 0 50 IFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670459518 IEMDFALNPWKFBS-FUBUYXNDSA-N 427.552 2.683 0 50 IFAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@@H]3COc4ccccc4O3)CCSCC2)o1 1776111563 FHCRWZFONFSMRI-OAHLLOKOSA-N 431.510 2.765 0 50 IFAA Cc1cccc(N2CCC(NC(=O)[C@@]34CC[C@H](N5CCOCC5)C[C@H]3CCNC4)CC2)c1 1857685941 AXWQRVOXSGOFBS-LJGDZFJRSA-N 440.632 2.561 0 50 IFAA CCN(CC)[C@H]1CCN(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1875264215 IKFHGKKCCKBPQA-IBGZPJMESA-N 434.606 2.760 0 50 IFAA O=C(NC[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875330799 ZXUOXLOIFUIYLC-BBRMVZONSA-N 431.480 2.912 0 50 IFAA CCOC(=O)c1cnc(C)nc1Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 1875354375 FXKKRGBUTRRNMY-UHFFFAOYSA-N 434.518 2.889 0 50 IFAA COC(=O)c1cc(=NC(=O)C(=O)N[C@H](c2ccccc2Cl)C2CCCCC2)[nH]n1C 2325819031 OCTADNDITKGSAW-SFHVURJKSA-N 432.908 2.658 0 50 IFAA O=C(O)[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccc(Br)c(Cl)c1 2325876463 WJSUMCLBXJHWQS-GWCFXTLKSA-N 426.716 2.717 0 50 IFAA O=C(O)[C@@H]1CC2(CCSCC2)CN1C(=O)[C@H]1Cc2cc(Br)cnc2C1 2325877219 MPAMENIAHALVJQ-WFASDCNBSA-N 425.348 2.758 0 50 IFAA CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)CN2C(=O)CSC2=O)C1 12430112 NSDJDXQYXUYFFH-QFIPXVFZSA-N 432.542 2.877 0 50 IFAA O=C(Nc1ccnn1C1CCN(C(=O)C(=O)c2ccccc2)CC1)c1ccc2c(c1)OCO2 12746371 LHRGTXRJWLVQCS-UHFFFAOYSA-N 446.463 2.911 0 50 IFAA COCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc(O)cc3)CC2)C1=O 14746497 JAIPEOBNVDNVLB-UHFFFAOYSA-N 437.540 2.880 0 50 IFAA CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 15671287 ACXCMOVKADXJHD-UHFFFAOYSA-N 429.590 2.849 0 50 IFAA C[C@H](NC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1ccccc1 245380982 YSSRYQXLQDZDLL-GDIGMMSISA-N 429.567 2.787 0 50 IFAA O=C(CSCc1ccccc1Cl)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 952982443 HGHAVDUJBQRNDI-UHFFFAOYSA-N 446.038 2.838 0 50 IFAA CC(C)(C)OC(=O)CN(CCc1ccccc1)C(=O)Cn1nc(O)c2ccccc2c1=O 2325864337 MLZVRDVQFFUHKM-UHFFFAOYSA-N 437.496 2.515 0 50 IFAA Cn1ncc(I)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 996098 WASAYVZWDMVLMF-UHFFFAOYSA-N 430.677 2.641 0 50 IFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n1 65361855 KNSSJTBJRAGIAR-UHFFFAOYSA-N 430.940 2.938 0 50 IFAA Cc1cc(S(=O)(=O)Nc2ccc(-n3cncn3)c(F)c2)ccc1OCCCC(=O)O 110279015 KGCDLQZWUSLQQT-UHFFFAOYSA-N 434.449 2.759 0 50 IFAA O=C(c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2)N1CCN(c2ccccc2)CC1 169759614 QROYDONBAFKXCG-HSZRJFAPSA-N 432.480 2.846 0 50 IFAA COc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)N4C)cn2)cc1 495136479 DUJOUZIWFMJCSV-CQSZACIVSA-N 448.483 2.560 0 50 IFAA C[C@]1(O)CC2(CCN(C(=O)c3ccc(CSc4ccccn4)cc3)CC2)OC[C@@H]1O 1704300045 VBSJDHDYHQTDCC-UGKGYDQZSA-N 428.554 2.881 0 50 IFAA Cc1c(C(=O)N[C@H]2C[C@@H]3CN(C(=O)c4cn5ccnc5s4)C[C@@H]3C2)sc2cncn12 2325876337 RIKICVIOYCDGOD-WDNDVIMCSA-N 440.554 2.694 0 50 IFAA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2c(C)cc(=O)oc2c1 1774455 NLPNTCULNCBQAK-HXUWFJFHSA-N 434.448 2.862 0 50 IFAA biogenic,in-vitro CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 8853721 KMVRJCZGOYFDCE-IBGZPJMESA-N 430.482 2.954 0 50 IFAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cccs1)CC2 14746492 LHCSTKYHPCUJCH-UHFFFAOYSA-N 428.558 2.979 0 50 IFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cc(OC)c(OC)cc3OC)C2)nn1 14989582 XZYVEUHQQHTEGC-QGZVFWFLSA-N 431.537 2.623 0 50 IFAA O=C(COc1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19787665 YZVOLYDBKCJSLS-UHFFFAOYSA-N 433.302 2.901 0 50 IFAA CCCCOc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1OC 19879842 NTUBEWDNTCKJHD-XMHGGMMESA-N 435.505 2.913 0 50 IFAA COc1cc(OC)c(NC(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1Cl 65364167 SZKBIBZLNUKBPH-UHFFFAOYSA-N 443.895 2.687 0 50 IFAA CSCC[C@H]1NC(=O)c2cc(NC(=O)c3cc(=O)[nH]c4ccccc34)ccc2NC1=O 206241351 YUWYAMNPLZTYIQ-GOSISDBHSA-N 436.493 2.584 0 50 IFAA Cn1c(C2CC2)nc2cc(CNS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)ccc21 225830902 LPKXIJOZDBLERQ-UHFFFAOYSA-N 428.489 2.953 0 50 IFAA O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239310294 IHTKLVMKCOTJQU-AKGHTDQDSA-N 426.516 2.967 0 50 IFAA CN1CCC[C@@H](CN(C)C(=O)c2cn(CC3CCCCC3)cc(C(=O)NC3CC3)c2=O)C1 299777082 NWIHPIJWECVRAX-LJQANCHMSA-N 442.604 2.735 0 50 IFAA O=C1CCOC2(CCN(C(=O)c3ccc4c(c3)CCO4)CC2)CN1Cc1cscn1 1704339713 JQZWVZGUTPBVKA-UHFFFAOYSA-N 427.526 2.502 0 50 IFAA CN(C(=O)CNC(=O)c1cc2c(s1)CCC2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 1875261491 UWRRIVHOZNXIBS-AWEZNQCLSA-N 438.958 2.607 0 50 IFAA O=C(c1cc2ncccn2n1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2Cc1ccccc1 2356158541 OFNDHNBKAKCNDT-DXIQSLLYSA-N 425.492 2.934 0 50 IFAA Cc1nn(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c(C)c1Br 2759818 JJGARCLUDOKZEM-UHFFFAOYSA-N 427.107 2.905 0 50 IFAA COc1ccc(CCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 2982001 MYFZNPZWESDALF-UHFFFAOYSA-N 441.347 2.583 0 50 IFAA C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2 11868019 QPOFPGYRKAJJGI-SFHVURJKSA-N 447.539 2.875 0 50 IFAA CC(=O)NCCNC(=O)c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C 20255493 JXKWUCZPCYPHGZ-UHFFFAOYSA-N 432.406 2.522 0 50 IFAA CC[C@](O)(C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1cccc(Cl)c1 800401313 JFCBVCMUYHHSHJ-HSZRJFAPSA-N 446.931 2.939 0 50 IFAA Cc1ccc2nc([C@H]3CCCN3C(=O)NCc3cccc([C@@]4(C)NC(=O)NC4=O)c3)[nH]c2c1 1330905137 XYHORHJOFCMZJE-NTKDMRAZSA-N 446.511 2.973 0 50 IFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2ncccc2C(F)(F)F)CC1 1857720481 WHVQDMZFAPXURB-UHFFFAOYSA-N 435.450 2.917 0 50 IFAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)c1 2356142131 FXPMCRGGZIOBRH-UHFFFAOYSA-N 443.500 2.659 0 50 IFAA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(I)cc2)cc1 1213991 KCDYRKOSDVITRD-UHFFFAOYSA-N 430.267 2.794 0 50 IFAA O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NC[C@H]1CCCO1 2875525 AMCPVUKZKCWNCH-LJQANCHMSA-N 430.526 2.502 0 50 IFAA CCOc1ccc(N(CC(=O)NCCOC)S(=O)(=O)c2ccc(Cl)cc2)cc1 2930456 HCOJZESGVNIXPH-UHFFFAOYSA-N 426.922 2.697 0 50 IFAA COc1ccc(N2C(=O)/C(=C\NNS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 6172702 LMVFYJWWAOFUKQ-QNGOZBTKSA-N 449.488 2.706 0 50 IFAA CCC(=O)[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)C1 11791315 OGUGCHVWEFRTSG-FNZWTVRRSA-N 447.535 2.886 0 50 IFAA COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(=O)Cc2ccc4c(c2)OCO4)C3)nn1 12133347 NBGGFXJXVKYWBB-UHFFFAOYSA-N 449.463 2.853 0 50 IFAA O=C(CC[C@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1)N1CCN(c2ccccn2)CC1 12302872 GFHCDGDLMNAHHO-LJQANCHMSA-N 446.555 2.939 0 50 IFAA CCn1nc(C)cc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12587182 KTQQMTMMNHNRAD-FQEVSTJZSA-N 438.576 2.588 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CN2CCOCC2)cc1 19800359 SHCHLGFMIBGHBJ-UHFFFAOYSA-N 443.569 2.946 0 50 IFAA O=C(N[C@H]1CCCCNC1=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 20996007 HWSLVRBDUBENGI-NRFANRHFSA-N 433.556 2.634 0 50 IFAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)n2)cc1 49549482 MSKLMLRPOZYDJO-UHFFFAOYSA-N 435.480 2.521 0 50 IFAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(c2nc(Cc3ccc(Cl)cc3)no2)C1 227155255 MLTPMKLMIBZXTD-UHFFFAOYSA-N 447.900 2.873 0 50 IFAA COC(CNC(=O)c1cnc(-c2ccccc2)[nH]1)CNC(=O)c1cnc(-c2ccccc2)[nH]1 499053294 FZLINTGWTNKSRC-UHFFFAOYSA-N 444.495 2.642 0 50 IFAA NC(=O)[C@H]1CCCN(c2ccc(C(=O)NC3CCN(CCc4ccccc4)CC3)cc2)C1 1317966199 HYRYBBARVDAYKH-QFIPXVFZSA-N 434.584 2.825 0 50 IFAA O=C(CSc1nnnn1-c1ccccc1)Nc1cc2c(cc1Br)OCCO2 1198512 MPLRDWFHBMREIX-UHFFFAOYSA-N 448.302 2.927 0 50 IFAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 2995042 BJEIBGNGVVRHGB-SFHVURJKSA-N 440.924 2.965 0 50 IFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cnc3ccccn3c2=O)C1 12702246 ZQAJBKJSKMWFFH-DEOSSOPVSA-N 437.471 2.862 0 50 IFAA CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]21C 33746065 OGDQCSZNJSAJKD-OXZGKQAISA-N 436.520 2.691 0 50 IFAA COCc1c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)cnn1-c1nccc(-c2ccco2)n1 102711562 VPZGDRNMIXIDNW-PMGUQGTPSA-N 449.511 2.738 0 50 IFAA COc1ccccc1N1CCN(c2nc(CNC(=O)CSC)nc3ccccc23)CC1 299762221 MKWFTDWNHZNRCL-UHFFFAOYSA-N 437.569 2.944 0 50 IFAA C[C@H](C(=O)N1CCCN(Cc2cccc(F)c2)CC1)N(c1ccccc1)S(C)(=O)=O 1506401713 FYCBACBKYNSJFA-GOSISDBHSA-N 433.549 2.715 0 50 IFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(c2nnc(C3CCC3)o2)CC1 1857700046 KAGXHJGLYGDCJZ-LJQANCHMSA-N 430.480 2.751 0 50 IFAA N=c1nc([C@@H]2CCCN(C(=O)c3cnc4scc(-c5ccccc5)n4c3=O)C2)cc[nH]1 1875255905 GSMINSOHFGJSCN-OAHLLOKOSA-N 432.509 2.645 0 50 IFAA Cc1[nH]nc2ncc(C(=O)N3CCC[C@@H]3[C@@H]3CCN(C(=O)c4cc5cccnc5[nH]4)C3)cc12 2332239505 ARGTWCPUNOADSW-OXQOHEQNSA-N 443.511 2.910 0 50 IFAA CCOC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 653001 BGJQGSFTJYUJRG-UHFFFAOYSA-N 440.905 2.930 0 50 IFAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)c1 1058407 OMZUPJHPSBOREX-UHFFFAOYSA-N 432.420 2.982 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c(Cl)c1 1078420 LARMZOJPCUTPOD-UHFFFAOYSA-N 443.903 2.733 0 50 IFAA Cn1c(=O)c2c(nc(NCc3cccnc3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O 1127178 LSJXFBPVTISCJV-UHFFFAOYSA-N 445.310 2.796 0 50 IFAA COc1ccc(-n2c(S[C@H](C)C(=O)N3CCOCC3)nc3ccccc3c2=O)cc1 9348060 FXVGUCVCQLKIEV-OAHLLOKOSA-N 425.510 2.734 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCc1cn2ccccc2n1 12306125 UJWHZXNXTGIZNU-QHCPKHFHSA-N 441.535 2.537 0 50 IFAA COC(=O)c1cc(CNC(C)=O)cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 12619089 YRQMCBUJJYYJFF-UHFFFAOYSA-N 430.404 2.929 0 50 IFAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)Cn2ccc(C)n2)CC1)c1ccccc1 12756150 DNASBOLDNQYHOK-JOCHJYFZSA-N 436.516 2.578 0 50 IFAA CCc1cc(C(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3cccc(OC)c3)C2)n(C)n1 14532113 FTYNPFPJKWCOPC-NRFANRHFSA-N 442.560 2.517 0 50 IFAA COc1cc(COC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC 16677543 CVQQQVSQTWWINM-HXUWFJFHSA-N 434.508 2.551 0 50 IFAA COc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c(OC)c1 33326775 XWGRIVFCRNABQT-UHFFFAOYSA-N 426.521 2.757 0 50 IFAA Cc1ccnc(Nc2ccc(N3CCN(C(=O)Cn4cnc5ccccc54)CC3)nn2)c1 72446943 IUJSUDYNQBJPJC-UHFFFAOYSA-N 428.500 2.622 0 50 IFAA CCOC(COc1ccccc1CN1CCN(c2cc(C)nc3ncnn23)CC1)OCC 170601661 FZXYBCSPLLEEOH-UHFFFAOYSA-N 440.548 2.533 0 50 IFAA CC[C@H]1CCCCN1C(=O)CN1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 225843385 QSKRQRRVLVWEHO-FQEVSTJZSA-N 444.601 2.722 0 50 IFAA COc1cncc(C(=O)N2CCC([S@@](C)(=O)=NC(=O)c3coc(C4CC4)n3)CC2)c1C 2332238931 QDBSXDSSVMTWSL-WJOKGBTCSA-N 446.529 2.807 0 50 IFAA COCCNC(=O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 10012625 HFMQQBCBWBANAP-UHFFFAOYSA-N 425.510 2.853 0 50 IFAA CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1nc3ccccc3n1C)CC2 14745928 FVEMCKJYAULDAM-UHFFFAOYSA-N 446.555 2.830 0 50 IFAA CCc1nccn1CCC(=O)N1CC(=O)N(CC(C)C)C[C@H](OCc2ccccc2F)C1 14755805 LBXXFRUEWNLMIQ-FQEVSTJZSA-N 444.551 2.887 0 50 IFAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](N1CCN(C3CCCC3)CC1)CC2 23353763 KPRQRNQPMCIWFO-LJQANCHMSA-N 425.577 2.703 0 50 IFAA CSc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 61720607 HLPUUMUSTBRQAE-UHFFFAOYSA-N 434.565 2.977 0 50 IFAA COc1cc2c(cc1OC)CN(C(=O)CC[C@H]1N=C(O)N(Cc3ccccc3)C1=O)CC2 252552041 UMSWYBGFQAHDBW-LJQANCHMSA-N 437.496 2.694 0 50 IFAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCN(C)C)c2-c2ccco2)n1 299762392 VUOPKWGOMHGKIE-UHFFFAOYSA-N 432.484 2.889 0 50 IFAA O=CN1CCCN(C2CCN(c3ccc(NC(=O)COc4ccccc4)cc3)CC2)CC1 299770273 OWIYMWCHJBSHLG-UHFFFAOYSA-N 436.556 2.837 0 50 IFAA CSCC[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2[nH]1 334161387 BELSOEIQAWNJJJ-LJQANCHMSA-N 425.558 2.999 0 50 IFAA COCCN1C(=O)c2cccc(N3CCN(C(=O)CCc4ccc(C)cc4)CC3)c2C1=O 11786943 GCOGSDRZZQTODX-UHFFFAOYSA-N 435.524 2.519 0 50 IFAA CC(=O)NC(=O)CSc1nnc(NC(=O)CSc2nc3ccccc3s2)s1 12379472 NXTANOVKWDJILR-UHFFFAOYSA-N 439.569 2.633 0 50 IFAA CC[C@H](C)N(C(=O)COC(=O)c1csc2c1CC[C@@H](C)C2)[C@@H]1CCS(=O)(=O)C1 229514643 TYKILEMHHKDAHO-QLFBSQMISA-N 427.588 2.844 0 50 IFAA CC(C)C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nnc2ccccn12 253412288 QMRVFTLYUYCNQY-ROUUACIJSA-N 434.500 2.838 0 50 IFAA CNS(=O)(=O)c1ccc(N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)nc1 302014466 BNLUCJHUTVJOFR-INIZCTEOSA-N 442.463 2.612 0 50 IFAA CCOC(=O)c1c[nH]c2c(F)ccc(F)c2c1=NCc1cccnc1N1CCN(C)CC1 432318069 OXWVZBMEJINYPU-UHFFFAOYSA-N 441.482 2.871 0 50 IFAA COc1cc2c(cc1O)CCN(C(=O)CCN1C(=O)C[C@@](C)(c3ccccc3)C1=O)[C@@H]2C 888105507 GLRFFBQQMQAVCY-CPJLOUKISA-N 436.508 2.953 0 50 IFAA CC(=O)NCCC(=O)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O 952863325 IAMKDEUTTFVUJH-UHFFFAOYSA-N 449.551 2.829 0 50 IFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(c2nnc(C3CCC3)o2)CC1 1857700045 KAGXHJGLYGDCJZ-IBGZPJMESA-N 430.480 2.751 0 50 IFAA Cc1noc([C@@H]2CCN(S(=O)(=O)c3ccc(NC(=O)c4cccc(F)c4)cc3)C2)n1 1857799018 KEKPLGQDDJUJSH-OAHLLOKOSA-N 430.461 2.948 0 50 IFAA O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCCCn1ccnc1)C2)c1cccc(F)c1 12245328 HBUXRLSCAFCRLF-CQSZACIVSA-N 441.488 2.683 0 50 IFAA O=C(CC1=CSC2=NCCN12)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 12433179 VZDFCJZUDDRTDF-QGZVFWFLSA-N 429.565 2.589 0 50 IFAA CCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccc(OC)c4)n3)c2C2CC2)CC1 55088213 KXHTWAPGWADVJZ-UHFFFAOYSA-N 432.528 2.993 0 50 IFAA O=C(Cn1cnc2sccc2c1=O)Nc1cc(Br)ccc1N1CCOCC1 115154679 JMZOLNWVBMKTMM-UHFFFAOYSA-N 449.330 2.696 0 50 IFAA COc1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4)NN32)cc1 137250489 NLMCXSHTDFCHFB-QFIPXVFZSA-N 428.517 2.772 0 50 IFAA O=C(NC1CC1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 169758633 MCFWFATXFNPZMS-LJQANCHMSA-N 428.920 2.939 0 50 IFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2C[C@@H]3CN(CC(C)C)C[C@@]3(CO)C2)s1 1772815140 JULXYYTWFGXLDP-JXFKEZNVSA-N 439.603 2.591 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@H](c2nc(CNS(=O)(=O)c3ccc(F)cc3)no2)CC1=O 2325762726 MGNWFRCVCZHMJX-GOEBONIOSA-N 444.488 2.764 0 50 IFAA O=C(N[C@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1)c1cc2c(s1)-c1ccccc1OC2 2325770843 NORNKMWGYAOURK-GJGORFQUSA-N 447.534 2.848 0 50 IFAA CC(C)CO[C@@H](C(=O)NCCN(C(=O)c1cn(C)nc1C(F)(F)F)C1CC1)C(C)C 2325828235 BNFVHIAGRNFVSE-MRXNPFEDSA-N 432.487 2.857 0 50 IFAA CCOC(=O)C1CCN(C(=O)c2cccc(C(=O)N3CCC(C(=O)OCC)CC3)c2)CC1 805385 JJVRAGNKHSZMNW-UHFFFAOYSA-N 444.528 2.517 0 50 IFAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CS(=O)(=O)c3ccccc3)cc2)c1C 2191105 AKYHBZHHQBKGPT-UHFFFAOYSA-N 449.510 2.505 0 50 IFAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 2878039 CNNHQAUQCAPKOB-MRXNPFEDSA-N 446.525 2.814 0 50 IFAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(Br)s1 8694313 FGLPPEJNDKWGHU-OEUWWYETSA-N 433.320 2.677 0 50 IFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)Nc2ccc3c(c2)OCO3)CC1 13330402 JSHJXVKVYVXNPH-UHFFFAOYSA-N 439.946 2.772 0 50 IFAA Cn1cc(CN[C@H]2C[C@H]3C(=O)N[C@@H](CC4CCCCC4)C(=O)N3C2)c(-c2ccccc2)n1 14531297 OUNDJRVNVIHSEQ-FKBYEOEOSA-N 435.572 2.615 0 50 IFAA CN(C)S(=O)(=O)c1cc(NCc2ccsc2)cc(C(=O)NCCCn2ccnc2)c1 14751967 PAVVJXKZXMJEGY-UHFFFAOYSA-N 447.586 2.627 0 50 IFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC3CCCCCC3)N(C/C=C/c3ccco3)C2)nn1 14952265 KXYVTUNNCLIBKL-MNVLBWLKSA-N 441.532 2.826 0 50 IFAA COc1cc(/C=C2\SC(=N)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)O 15723265 HRVAJCCSFGOYFM-OBSITHCTSA-N 428.422 2.943 0 50 IFAA Cc1cc(C(=O)N2CCc3c(cc(-c4ccncc4)c(=O)n3CCN3CCCCC3)C2)n[nH]1 19147805 XCGQSKCOPOGUPP-UHFFFAOYSA-N 446.555 2.626 0 50 IFAA O=C1NCCN(Cc2ccc3ccccc3c2)[C@H]1CC(=O)N1CCN(C2CCCC2)CC1 20450885 MGSRIGOSJQOCCF-DEOSSOPVSA-N 434.584 2.617 0 50 IFAA CCc1ccc(CN(C)Cc2ccc(OC)c(OC[C@@H](O)CN3CCN(C)CC3)c2)cc1 20541831 HDPHOHHHZVXYSO-DEOSSOPVSA-N 441.616 2.877 0 50 IFAA COc1cc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)ccc1-n1nc(C)cc1C 169772665 HFGQISKQALRHBT-GOSISDBHSA-N 433.468 2.577 0 50 IFAA O=C1N[C@H](CCC(=O)N2CCN(Cc3ccccc3Cl)CC2)C(=O)Nc2ccccc21 169772690 YDUWVZUPNSWQIX-HXUWFJFHSA-N 440.931 2.515 0 50 IFAA C[C@H](NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1Cc1ccco1)c1ccc(F)cc1 225684514 IXACZGYEDOLFMW-ZDUSSCGKSA-N 432.477 2.587 0 50 IFAA COc1cc(OC)cc(N2CC[C@H](N(C)S(=O)(=O)c3cccc4cnccc34)C2=O)c1 479219643 HSFWYROYSJXPKW-FQEVSTJZSA-N 441.509 2.678 0 50 IFAA Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(N4C[C@H](C(=O)O)CC4=O)cc3)cc2)o1 497465642 HNIMVVLMALIQCA-OAHLLOKOSA-N 441.465 2.888 0 50 IFAA CC(C)(C)n1ncc2c(N3CCN([C@H]4CCCN(Cc5ccccc5)C4=O)CC3)ncnc21 760829569 CYWCFOPNEFHREA-NRFANRHFSA-N 447.587 2.895 0 50 IFAA CCS(=O)(=O)N1CCC(CNC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)CC1 768425717 KSGBUMREHAKUJW-QFIPXVFZSA-N 445.585 2.748 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc(OC)cc(OC)c2)C1 1857704186 HEOSSBMXQURTHE-TYBLODHISA-N 445.604 2.533 0 50 IFAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)CCc2nc3ccccc3[nH]2)CCCCN1 2100534108 UIUPUXJNYPUTQU-IBGZPJMESA-N 425.577 2.869 0 50 IFAA COc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@H](O)Cn1cc(C=O)c2ccccc21 2882147 VKOMXZQIUFIZIG-INIZCTEOSA-N 436.917 2.797 0 50 IFAA CC(C)CC[C@@]1(C2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)NC(=O)NC1=O 11783019 GXVCTFLEBZXSSU-DEOSSOPVSA-N 440.544 2.680 0 50 IFAA COc1cc(CN2CCOc3ccc([C@](C)(O)CN(C)C)cc3C2)cc(OC)c1OC 12021928 CPCFMNKKQAKTEK-XMMPIXPASA-N 430.545 2.876 0 50 IFAA COC(=O)c1cc(CNC(=O)c2ccc3ccccc3n2)cc(NC(=O)c2cnccn2)c1 12078739 UBBXRIWWQYGRBM-UHFFFAOYSA-N 441.447 2.994 0 50 IFAA CCC(=O)Nc1cc(C(=O)N2CCCN(C=O)CC2)c2c(c1)nc(Cc1ccccc1)n2C 12122783 XBVWGZOLTJUHNN-UHFFFAOYSA-N 447.539 2.817 0 50 IFAA C[C@H](C(=O)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1)n1cnc2ccccc21 12435389 JJIQXDNVYIRZIW-LJQANCHMSA-N 437.588 2.923 0 50 IFAA COc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1OC1CCN(C(C)C)CC1 12588410 HXMLKLNKBDTMQQ-UHFFFAOYSA-N 433.593 2.787 0 50 IFAA CCc1nccn1CCC(=O)N1CC(=O)N(CC(C)C)C[C@@H](OCc2ccccc2F)C1 14755807 LBXXFRUEWNLMIQ-HXUWFJFHSA-N 444.551 2.887 0 50 IFAA COc1cccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)c1 55060723 YNPHSZDZNBZAJY-FQEVSTJZSA-N 433.911 2.837 0 50 IFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 59749671 JRDLDJLRYCTWOO-UHFFFAOYSA-N 436.578 2.583 0 50 IFAA CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)CCC(=O)[C@H]1C(=O)N(c2ccccc2)N=C1C 196047447 YRWMGJBQYCEWMW-VXKWHMMOSA-N 430.464 2.983 0 50 IFAA COc1ccc(NC(=O)C[C@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)c(OC)c1 253394905 VKMYFIGQOHADPZ-LJQANCHMSA-N 436.468 2.881 0 50 IFAA O=C([C@@H](Cc1ccccc1)n1cccc1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 263587239 DUMUSKBDAVFROW-JOCHJYFZSA-N 444.601 2.537 0 50 IFAA O=C1/C(=C/Nc2nc3ccccc3n3nnnc23)c2ccccc2C(=O)N1c1ccccn1 747827352 LAKNHTQARCAAAG-DTQAZKPQSA-N 434.419 2.708 0 50 IFAA O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCC(O)(c2cccnc2)CC1 827908331 GZKHGEBRSMITLI-UHFFFAOYSA-N 440.503 2.969 0 50 IFAA O=C1CC[C@H](N2Cc3cc(NC(=O)Nc4ccccc4OC(F)F)ccc3C2=O)C(=O)N1 2325901443 GJNRXYPICUAFMV-HNNXBMFYSA-N 444.394 2.693 0 50 IFAA O=C(NCCN1CCOCC1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 1212487 JVSSMWTZNNLUEX-UHFFFAOYSA-N 443.813 2.724 0 50 IFAA O=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccc(C(=O)c2ccccc2)cc1 2868634 NDOVNLIAKONAAG-UHFFFAOYSA-N 430.460 2.507 0 50 IFAA CCOc1cccc(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)c1 14541782 YBHNKBDPVZIJIM-UHFFFAOYSA-N 434.540 2.762 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 17100726 MDCYCSAOSYQEBX-UHFFFAOYSA-N 436.599 2.924 0 50 IFAA Cc1nnc(SCC(=O)N2CCc3c(cc(Cc4ccccc4F)c(=O)n3C)C2)s1 20601123 QPVVYFLIACSNJF-UHFFFAOYSA-N 444.557 2.952 0 50 IFAA O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 23119698 CLNSSYSGSRQJEL-FYYLOGMGSA-N 427.932 2.716 0 50 IFAA O=C(CCCc1cccs1)N1CCOc2ccc(CN3CCN(CCO)CC3)cc2C1 23362719 MWBBPDMAAOJDAO-UHFFFAOYSA-N 443.613 2.602 0 50 IFAA CC(C)N1C[C@H](NCc2cc(F)ccc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 32561069 KPHRRHXSHCZLTE-CTNGQTDRSA-N 445.510 2.993 0 50 IFAA C[C@@H](NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)c1ccc(S(C)(=O)=O)c(F)c1 170640641 IKFUBWXGKKFPRJ-QGHHPUGFSA-N 426.416 2.878 0 50 IFAA C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)C(=O)c1cccc(Cl)c1 239339005 LOQBAPSGARVXSQ-SACJBBJSSA-N 427.884 2.898 0 50 IFAA O=C(N[C@H](CO)c1ccccc1)[C@H]1CC(=O)N(c2[nH]nc3cc(Br)ccc23)C1 252484280 FTOCKSWYRGPOOT-SUMWQHHRSA-N 443.301 2.528 0 50 IFAA COC(=O)c1ccc(C=c2sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 252680120 WDCXDDJPQBQVKV-UHFFFAOYSA-N 442.294 2.915 0 50 IFAA COc1cc(CCC(=O)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)cc(OC)c1OC 253424418 FUNURMVYXFANFZ-UHFFFAOYSA-N 449.312 2.852 0 50 IFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 409414900 YIDXDQPJEVULJJ-RBZQAINGSA-N 441.616 2.817 0 50 IFAA biogenic C[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccsc1C(=O)NC[C@H]1CCCCN1 1857532582 RQWGDVWYLRRIKV-CRAIPNDOSA-N 433.599 2.756 0 50 IFAA O=C(CN1CC[C@@H](COCc2ccccc2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 1875341021 CNUYWZLANJBNFF-MRXNPFEDSA-N 426.908 2.997 0 50 IFAA O=C(NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cn2cc(Cl)cn2)s1 2325861961 DOZGORDOACAAFX-UHFFFAOYSA-N 439.931 2.770 0 50 IFAA COc1ccc(-n2c3c(cc(C(=O)N[C@H]4CCSC4=O)c2=O)C(=O)CC(C)(C)C3)cc1 1151525 HLULIJKZZMYKOV-KRWDZBQOSA-N 440.521 2.763 0 50 IFAA CC[C@@]1(C)Cc2c(sc3nnn(CC(=O)Nc4ccc(OC)cc4OC)c(=O)c23)CO1 1428211 ZAGGYYNJGRAKLL-NRFANRHFSA-N 444.513 2.750 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1cccs1 8575351 PIDTVBMVDNBPOI-QIPHDZALSA-N 426.519 2.565 0 50 IFAA CN(Cc1cnn(C)c1)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O 12201648 QXDBUUVYNQEYOP-VWLOTQADSA-N 430.508 2.762 0 50 IFAA CC(C)OCCCNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 12382726 VQELDAOUFCKFBN-UHFFFAOYSA-N 434.558 2.963 0 50 IFAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)C2=C(C)OCCO2)CC1 14972179 FGMNLWVNQJBFOT-UHFFFAOYSA-N 426.473 2.586 0 50 IFAA O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1C[C@H]1CCCN(c2ncccn2)C1 14985663 PLSCSHGKHPIHCL-PZJWPPBQSA-N 441.551 2.882 0 50 IFAA C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccn2)CC1 14994431 HOYIRDHSGPBIDN-RBBKRZOGSA-N 448.567 2.826 0 50 IFAA C[C@@](Cc1ccccc1)(NC(=O)COc1ccc(I)cc1)C(=O)O 170671894 AHKFJEAKVXSPAP-SFHVURJKSA-N 439.249 2.872 0 50 IFAA CSCC[C@H]1NC(=O)c2cc(NC(=O)CCc3ccc4c(c3)CCO4)ccc2NC1=O 206256129 ZEMISFJJJPGUNZ-LJQANCHMSA-N 439.537 2.996 0 50 IFAA C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(-n3ccnc3)c(F)c1)C2=O 303059806 XCOISHTYDVRACY-NPMXOYFQSA-N 441.507 2.764 0 50 IFAA O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 784522647 YALMIWPPIRRBEX-MRXNPFEDSA-N 445.449 2.771 0 50 IFAA CSCC[C@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)n1c(O)nc2ccccc2c1=O 888090453 AGHSABVYKYKRHD-WOJBJXKFSA-N 439.537 2.996 0 50 IFAA Cc1nc2ccc(Cl)cn2c1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1301562199 UEZVAMBNRNZSSW-RDJZCZTQSA-N 430.867 2.578 0 50 IFAA CS(=O)(=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 1875390855 VHQAQPCWSJTDFF-OAQYLSRUSA-N 436.533 2.622 0 50 IFAA C[C@@H](NC(=O)[C@@]1(C)CCCCNC1=O)C1CCN(C(=O)c2cc3ncccc3s2)CC1 2325823806 FOZCQAZURHRKHJ-CMJOXMDJSA-N 442.585 2.960 0 50 IFAA CC(C)[C@]1(C)C[C@@H]1C(=O)N=[S@@]1(=O)CCCN(C(=O)Cc2cn3cc(F)ccc3n2)CC1 2332238719 JKICUOQTCFSGPJ-MFYCCVFRSA-N 448.564 2.925 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccccc1 653883 SZYMFEIEAJIWLW-XGHXRCDJSA-N 440.908 2.767 0 50 IFAA O=C1[C@H]2C3C=CC([C@H]2C(=O)N1c1ccccc1F)[C@H]1C(=O)N(c2ccccc2F)C(=O)[C@@H]31 2173464 ZAOKSCPLTUYESP-BKCUVPJCSA-N 434.398 2.692 0 50 IFAA CCN(CC)C[C@@H](O)COc1ccc(CNCCc2nc3ccccc3n2C)cc1OC 11664810 YZXDJOHTDIHWJT-HXUWFJFHSA-N 440.588 2.996 0 50 IFAA COc1ccc(C[C@]2(CCC(=O)N[C@H]3CCCCNC3=O)CCC(=O)N2)c2ccccc12 11882423 QECPEPWPAMNIJF-CPJSRVTESA-N 437.540 2.605 0 50 IFAA CN(C[C@H]1COCCO1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 11965196 NPEUQMOVNMVUFK-IBGZPJMESA-N 445.523 2.793 0 50 IFAA O=C(Nc1ccnn1C1CCN(C(=O)Cc2c(F)cc(F)cc2F)CC1)[C@H]1CCOC1 12611997 BGYTYGZUAAEXMD-ZDUSSCGKSA-N 436.434 2.682 0 50 IFAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CSc2nncn2C)cc1 12718824 WDSQEYBXBZMICN-KRWDZBQOSA-N 426.546 2.931 0 50 IFAA COc1ccccc1[C@]1(CC(=O)N2CCCC[C@H]2c2nccs2)CC(=O)N(C)C1=O 14879890 KFQPVVQQRPANKX-KSFYIVLOSA-N 427.526 2.922 0 50 IFAA CN1CCCC[C@H]1C(=O)NC[C@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 244659552 HESGULPANIIOMJ-CTNGQTDRSA-N 428.554 2.661 0 50 IFAA C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 253396571 KCGHMMOJZYXEQA-MELVLEBQSA-N 445.541 2.829 0 50 IFAA CCC(CC)CN1CCc2c(C(=O)OC)c(OC[C@@H]3CCCN(C)C3)cc(=O)n2CC1 299756488 FWSLOCXHNLXLQN-LJQANCHMSA-N 433.593 2.650 0 50 IFAA O=C(Nc1cncnc1N1CCCC1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 499451990 YBHJHEGPUWOHQR-ZDUSSCGKSA-N 430.306 2.831 0 50 IFAA O=C(C1CCN(c2noc3ccc(Cl)cc23)CC1)N1C[C@]2(CO)CCC[C@]2(CO)C1 1875333634 FJMMDYJXYGDKKG-SZPZYZBQSA-N 433.936 2.681 0 50 IFAA COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c(OC)c1C 14883588 ADYCOUFTJMAKOC-PZJWPPBQSA-N 432.561 2.821 0 50 IFAA O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1C[C@H]1CCCN(c2ncccn2)C1 14985660 PLSCSHGKHPIHCL-FPOVZHCZSA-N 441.551 2.882 0 50 IFAA CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1 16187621 SYBDVVWEAGUUBV-UHFFFAOYSA-N 437.565 2.805 0 50 IFAA COc1ccc(OC)c(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 21795124 KZQJSHMARJUSEI-UHFFFAOYSA-N 426.521 2.757 0 50 IFAA O=C(O)C/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1 43772293 JJUBZOCIDPWZFS-CKWYRIFQSA-N 430.419 2.780 0 50 IFAA in-vitro C[C@H](C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21)N1C(=O)NC2(CCCC2)C1=O 252516339 SCZFTINAQACSSV-NCOADZHNSA-N 433.549 2.741 0 50 IFAA O=C(NC[C@@H]1CCCN(CCc2ccccc2)C1)c1ccc(C(=O)N2CCOCC2)cc1 670457480 AVCIHNMMQHYPCP-QFIPXVFZSA-N 435.568 2.844 0 50 IFAA COc1cc2c3c(c1)C(CSC(=S)N1CCN(C)CC1)=CC(C)(C)N3C(=O)C2=O 1857526084 JJOSKMSZMUICMQ-UHFFFAOYSA-N 431.583 2.666 0 50 IFAA O=C(N[C@H]1CCN(C2CC2)C1=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1875253503 XSMHJCBUYWQVLY-HNNXBMFYSA-N 430.858 2.850 0 50 IFAA COc1cc(NC(=S)NC(=O)c2cncc(Br)c2)cc(OC)c1OC 2851752 LQSBEMNXXORJEN-UHFFFAOYSA-N 426.292 2.997 0 50 IFAA Cc1ccc(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)cn3C)CC2)c1 8610245 ZXONXNYAMVPTMV-UHFFFAOYSA-N 444.601 2.779 0 50 IFAA O=C(CCC1CCN(C(=O)CCn2cccn2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 11817296 NQWRSZKNOJXLBQ-QHCPKHFHSA-N 437.588 2.683 0 50 IFAA C[C@@H](Cn1cccn1)C(=O)N1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 11956021 CTRYDAYZKCHHRC-KRWDZBQOSA-N 426.517 2.948 0 50 IFAA Cc1nc(C)n(CC(=O)N(Cc2cccc(OC[C@H]3CCOC3)c2)Cc2ccccn2)n1 12167795 BWHWHRJOHHYJOB-NRFANRHFSA-N 435.528 2.934 0 50 IFAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCn2ccc3ccccc32)cc1 12448604 TUTQWVCKIITDGD-DEOSSOPVSA-N 448.567 2.937 0 50 IFAA COc1ccccc1CN1CCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)CC1 15000029 FYDIWTYUXOMDGF-LJQANCHMSA-N 435.524 2.792 0 50 IFAA O=C(NCCN1CCOCC1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 19773773 GQEAYVKNOCSFBH-UHFFFAOYSA-N 445.445 2.576 0 50 IFAA Cc1ccc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)NCCCN2CCOCC2)cc1 33397020 XIHBIUUFLQQPKT-OQKWZONESA-N 425.504 2.744 0 50 IFAA COc1ccc(C(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)NC(=O)N[C@]2(O)C(F)(F)F)cc1 36056656 PRTCGQRTMLEBJQ-TXPKVOOTSA-N 438.358 2.528 0 50 IFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)ncn2)n1 67612357 KCQGIWTVTINKJG-UHFFFAOYSA-N 426.908 2.660 0 50 IFAA CCOc1ccccc1NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 239275088 BDXWZQDDAWXFHA-LMMKCTJWSA-N 442.512 2.933 0 50 IFAA C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)c2C(=O)N2CCOCC2)C1 239433712 YISSZKJLHMMHPU-AYMSOESYSA-N 444.553 2.807 0 50 IFAA CN(C)S(=O)(=O)c1cccc(N2C(=O)N[C@@H](C[C@H]3CCCc4ccccc43)C2=O)c1 445865238 ADJYZNDIGYDXND-UZLBHIALSA-N 427.526 2.872 0 50 IFAA COC(=O)c1ccc(NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1C 485103552 LQSMSBXYTPVNDT-UHFFFAOYSA-N 441.483 2.526 0 50 IFAA Cc1ccc(-c2cc(C(=O)N[C@@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)n[nH]2)cc1 670458624 FDYNUICYLLLGJG-CNKRIOBRSA-N 427.552 2.683 0 50 IFAA CS(=O)(=O)c1cccc([C@@H](NC(=O)C2CCC(NC(N)=O)CC2)c2ccccc2)c1 1875260858 GQGFNNOCRMNWIF-NLPFYKDJSA-N 429.542 2.523 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H]3COc4ccccc4O3)CC1)OCC2 2356143463 ITMNMEJDNDVOTL-JOCHJYFZSA-N 425.481 2.934 0 50 IFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)F)cc(Br)c1O 844383 ISLOIQQJMXEKEC-NSHDSACASA-N 439.184 2.897 0 50 IFAA COC(=O)C1CCN(Cc2ccc3c(c2)CN(C(=O)c2cc(C)nc(C)n2)CCO3)CC1 11995804 OLYBGNIMEPGJQK-UHFFFAOYSA-N 438.528 2.513 0 50 IFAA O=C(c1cccs1)N1CCN(c2nc3nonc3nc2NCc2cccs2)CC1 12201379 SNPJAIPWAORNOT-UHFFFAOYSA-N 427.515 2.710 0 50 IFAA CN(C)CC(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccn2)CC1 12453693 LKDRIWSWKRNIFZ-BYUVYSIJSA-N 434.584 2.965 0 50 IFAA CSc1cccc(CN2CCN3C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H]3C2)c1 14539870 HVKDWBBNDIEXRH-FCHUYYIVSA-N 434.565 2.644 0 50 IFAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)NCc1ccc(Cl)cc1 169752348 VRDVCFMHKBOPCN-UHFFFAOYSA-N 440.862 2.764 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)CC2)s1 247832819 LYMWQTTVVWKIDO-XCDZQEORSA-N 439.647 2.692 0 50 IFAA CSCC[C@H](C(=O)NC1CC(C)(C)NC(C)(C)C1)n1c(O)nc2ccccc2c1=O 888090168 HBXRLONHYIOHGZ-QGZVFWFLSA-N 432.590 2.822 0 50 IFAA COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)NOCCOC(C)C)c2C)c1 952886951 FHQJBMSFGCGEHH-FQEVSTJZSA-N 432.521 2.937 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc(OC)c(OC)c2)C1 1857679197 HKENKTITZWKEEV-TYBLODHISA-N 445.604 2.533 0 50 IFAA COc1ccccc1[C@@H]1CCN(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 2325841405 SKHQKFSXKRQWHG-GFCCVEGCSA-N 429.420 2.997 0 50 IFAA COc1ccc(Cl)cc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1 798228 AGSYKURUAXURCM-UHFFFAOYSA-N 438.933 2.711 0 50 IFAA CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCc1ccccc1)c1ccc(F)cc12 806626 STULAYJAHCBJQE-NRFANRHFSA-N 426.473 2.570 0 50 IFAA Cc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1Cl 1139826 HJIDRRLQKVJHII-UHFFFAOYSA-N 439.940 2.902 0 50 IFAA COC(=O)c1cc(NC(=S)Nc2ccc(N3CCOCC3)cc2)cc(C(=O)OC)c1 2213348 CLHXPJJSKRUANV-UHFFFAOYSA-N 429.498 2.905 0 50 IFAA COc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 3612203 XPTGAEQRSQVWFY-UHFFFAOYSA-N 443.569 2.832 0 50 IFAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCc2ccc(Cl)s2)c1 11843501 SQGOEPBBLSFNHZ-KRWDZBQOSA-N 440.993 2.896 0 50 IFAA COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N[C@H]4CCOC4)c3C3CC3)ncc1CC2 14980455 BMFCKMSHNULVAZ-KRWDZBQOSA-N 431.496 2.833 0 50 IFAA CSc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(=O)N1CCOCC1 16652402 MRLKSWYIUPASAA-UHFFFAOYSA-N 432.567 2.628 0 50 IFAA COc1ccccc1N1CCC(N2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)CC1 19884635 HMLKNXUOYRMQSQ-DEOSSOPVSA-N 444.664 2.905 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2-c1ccccc1OC 20345190 OVVQMBGGIOMCJR-UHFFFAOYSA-N 431.448 2.699 0 50 IFAA Cc1nc2cc(C(=O)N3CCN([C@@H]4CCCN(Cc5ccccc5)C4=O)CC3)ccc2n1C 170593341 BOLMVVLOOFYHJF-XMMPIXPASA-N 445.567 2.831 0 50 IFAA CCOc1ccc(CN(C)C(=O)CN2CCCN(Cc3ccc(OC)cc3)C(=O)C2)cc1 170597071 WFKZRQAIDOEXKX-UHFFFAOYSA-N 439.556 2.787 0 50 IFAA C[C@@H](c1ccccc1)N(c1ccccc1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 170617398 ONKWQRJUDCDTJJ-HNNXBMFYSA-N 436.493 2.578 0 50 IFAA O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)Nc1ccccc1F 245254841 CKWOKWQGOHWZJA-QAQDUYKDSA-N 447.532 2.665 0 50 IFAA CN1CC[C@H](NCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)[C@@H]1c1ccccc1 252535851 HANQKENKIZAUFV-GMAHTHKFSA-N 438.597 2.849 0 50 IFAA C[C@H](NC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1noc(Cc2ccccc2)n1 431650872 GDVXJZGWEJWWDP-HKUYNNGSSA-N 449.511 2.701 0 50 IFAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F 1506419896 LKZYCRSCUBTQFF-LLVKDONJSA-N 432.901 2.589 0 50 IFAA O=C(O)CN(C(=O)CCCCc1cn(Cc2ccccc2Cl)nn1)C1CCOCC1 1875353966 MNUUSTVJYFJRQI-UHFFFAOYSA-N 434.924 2.785 0 50 IFAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)O[C@H]4C[C@H](c5ccccc5)C4)cc3C2=O)C(=O)N1 2325900680 FSXQLPAVMPZFCD-SFHLNBCPSA-N 447.491 2.620 0 50 IFAA COCCN(C(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)C(C)C 12055799 JGQPTHSRRHRYCU-DEOSSOPVSA-N 437.584 2.892 0 50 IFAA CN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12)[C@H]1CCOC1 12434153 BGNVXCYPKXXZCG-FQEVSTJZSA-N 425.577 2.646 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CCOc2ccccc2)c(C)c1C 12717426 YRWAJBHJOHXFBW-JOCHJYFZSA-N 439.556 2.540 0 50 IFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 13941656 VQNKYAMNUJVBJR-UHFFFAOYSA-N 425.400 2.722 0 50 IFAA O=C(NCCc1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2)C1CCOCC1 20774368 LSOXIIJEPFFBSO-UHFFFAOYSA-N 433.556 2.575 0 50 IFAA CCNC(=S)N(CCc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 100578583 LKKPRMYPXSHADL-HXUWFJFHSA-N 441.553 2.775 0 50 IFAA Cc1ccc(NC(=O)c2cc3n(n2)CCCN(CC(=O)N(C)c2ccccc2)C3=O)cc1 169780196 NBDWGBLUTHFWOJ-UHFFFAOYSA-N 431.496 2.953 0 50 IFAA CC(C)Cc1ncnc(N2CCC[C@H](c3nncn3C)C2)c1I 225650458 GHSVBOWPEREFIT-LBPRGKRZSA-N 426.306 2.792 0 50 IFAA O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 230277832 RRMKGXDODDKGHU-SLXNBQQMSA-N 434.540 2.925 0 50 IFAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(C(C)(C)C)nn1[C@H]1CCS(=O)(=O)C1 248020208 LRFIXQKBCKBMST-CKFHNAJUSA-N 433.530 2.707 0 50 IFAA FC(F)Cn1ncnc1CN1CC[C@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1 952893484 MUBUZBMWPUZOFK-INIZCTEOSA-N 429.353 2.694 0 50 IFAA Nc1nccc(C2CCN(C(=O)Cn3nc(-c4ccccc4)c4ccccc4c3=O)CC2)n1 952963181 ITSQSQQLVQEDQE-UHFFFAOYSA-N 440.507 2.842 0 50 IFAA O=C1CCOC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CN1Cc1ccccc1 1704327909 JNDKAZCGZBTFGS-UHFFFAOYSA-N 432.517 2.798 0 50 IFAA O=C(Cc1ccc(F)c(F)c1)NCC[C@H]1CCCCN1C(=O)[C@H]1C[C@H](n2ccnn2)C1 1875345598 CRYNZNHSLILQKR-KZNAEPCWSA-N 431.487 2.638 0 50 IFAA Cc1cnc(C(=O)O)c(-c2cn([C@@H]3CCN(C(=O)Cc4cccc5cccnc45)C3)nn2)c1 1875356735 WCBWMVGNJSARCQ-GOSISDBHSA-N 442.479 2.911 0 50 IFAA CC(C)n1ccc(S(=O)(=O)NC(=O)C2CCN(c3nc4ccccc4s3)CC2)n1 2325827011 RUCCWKKVJFEWTR-UHFFFAOYSA-N 433.559 2.795 0 50 IFAA C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@H]1C 2325839557 XICWLDJJVOIFQZ-QWQRMKEZSA-N 431.924 2.528 0 50 IFAA COCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CCN(C3CCSCC3)CC2)C1=O 11869971 BVNMOHZSYWATNG-HSZRJFAPSA-N 449.592 2.913 0 50 IFAA COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccc(OC)c4)n3CC2)c1 12283343 AWRQAAITSNCDNS-KRWDZBQOSA-N 435.528 2.845 0 50 IFAA CN1CCCN(C(=O)c2nc3sccn3c2CN(CC2CCC2)C[C@@H]2CCCO2)CC1 12441391 ZMUWFQHXGKPNAY-IBGZPJMESA-N 445.633 2.955 0 50 IFAA CCOC(=O)C1CCN(Cc2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)c(=O)[nH]2)CC1 12508444 DJMPSTHHHPEGOE-UHFFFAOYSA-N 441.572 2.705 0 50 IFAA Cc1ccn(CCC(=O)NC[C@@H]2Cc3cccc(-c4ccc(S(C)(=O)=O)cc4)c3O2)n1 14881724 CJVXDEPJALRZAW-IBGZPJMESA-N 439.537 2.772 0 50 IFAA COc1ccc(C[C@@]2(CCC(=O)NC[C@H](C)Oc3cccnc3)CCC(=O)N2)c(F)c1 14887591 AMGZZQKVDZXPOP-QMHKHESXSA-N 429.492 2.785 0 50 IFAA COc1cccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)c1 55153567 DZQOIQBDSCZABI-HXUWFJFHSA-N 449.473 2.763 0 50 IFAA CCOc1ccc(CCNC(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)cc1OCC 169760083 LWINWDAIBQGVHR-UHFFFAOYSA-N 438.528 2.531 0 50 IFAA C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 170599614 OUBGTUUQYNXPCG-QRVBRYPASA-N 439.597 2.994 0 50 IFAA O=c1ccc2ccc(OS(=O)(=O)c3ccccc3S(=O)(=O)C(F)(F)F)cc2o1 225549063 KGBBDSSZAGNDCS-UHFFFAOYSA-N 434.369 2.854 0 50 IFAA CCN(CC)[C@H](CNC(=O)c1ccnc2c(C(N)=O)cnn12)c1ccc(C(F)(F)F)cc1 485965069 DLNMWPXXNWJDOH-QGZVFWFLSA-N 448.449 2.660 0 50 IFAA CN(Cc1nnc2ccccn12)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 768518409 FCWDKJKKHBNEAI-HNNXBMFYSA-N 446.433 2.691 0 50 IFAA CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)c1cc2ccccc2c(=O)s1 823832076 AFBXPRPGDDKRBY-KRWDZBQOSA-N 438.505 2.592 0 50 IFAA biogenic Cc1cnc(CN2C[C@H]3CN(C(=O)CSCc4ccccc4Cl)C[C@@]3(CO)C2)[nH]1 1772810193 IYALUQFUGSLLOE-LAUBAEHRSA-N 434.993 2.558 0 50 IFAA N=c1nc(CN(CCCN2CCOCC2)c2ccccc2)nc(Nc2ccc(F)cc2)[nH]1 1875253346 QGYWSAPGUOINNC-UHFFFAOYSA-N 437.523 2.896 0 50 IFAA O=C(CCc1nc(-c2ccncc2)no1)N1CCCC[C@H]1c1nc(-c2ncccn2)no1 1875256983 HCEYOUYKOKEDMY-HNNXBMFYSA-N 432.444 2.658 0 50 IFAA CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCCCc2ccncc2)cc1 2325744674 QNEYCFLMBBAFHE-CTNGQTDRSA-N 446.569 2.679 0 50 IFAA CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCCCc2ccncc2)cc1 2325744675 QNEYCFLMBBAFHE-FPOVZHCZSA-N 446.569 2.679 0 50 IFAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 1119399 MUZQPUGLGRMIGA-HNNXBMFYSA-N 433.530 2.628 0 50 IFAA COc1ccccc1NC(=O)CSc1nnc(CC(=O)Nc2ccc(F)cc2)n1C 2872250 SPZHRBUOCWQKKD-UHFFFAOYSA-N 429.477 2.875 0 50 IFAA Cc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)NC[C@H]4COCCO4)cc3)c2)c(C)c1 12150476 GAUFWFSIFBDUHG-NRFANRHFSA-N 434.496 2.887 0 50 IFAA O=C(Nc1cccc2ccccc12)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 14733106 YQKSUWOZNJIWEP-BWAGFHJFSA-N 428.492 2.672 0 50 IFAA COC(=O)c1c(OCc2ccncc2)cc(=O)n2c1CCN(C(=O)c1ccc(C)cc1)CC2 14882521 HGCZRLIYJZRNAX-UHFFFAOYSA-N 447.491 2.616 0 50 IFAA COc1cccc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)c1 15065886 FYFYMFHIPNOGBO-OAQYLSRUSA-N 433.574 2.886 0 50 IFAA Cc1csc(SCC(=O)N2CCC([C@]3(Cc4ccccc4)NC(=O)NC3=O)CC2)n1 20909038 QBJCOOQTRJCFRD-NRFANRHFSA-N 444.582 2.603 0 50 IFAA COCC1CCN(C(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)CC1 39485728 OAOIFTKCEGLAPK-UHFFFAOYSA-N 444.981 2.641 0 50 IFAA O=C(NCc1cccc2ccccc12)c1coc(CN2CCN(c3ncccn3)CC2)n1 55108094 GIZIUMPUAKSTMS-UHFFFAOYSA-N 428.496 2.870 0 50 IFAA Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 65363153 RUFQYECRSZIOTN-SFHVURJKSA-N 430.574 2.540 0 50 IFAA COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1ccc2c(n1)OCCN2C(=O)C(C)(C)C 66054245 KEFLLIICCJUNDI-CABCVRRESA-N 447.532 2.977 0 50 IFAA in-vitro CC(C)OC(=O)c1cc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)cc(C(=O)OC(C)C)c1 136554502 XBGRXJILLRDHNG-BRSBDYLESA-N 433.457 2.634 0 50 IFAA Cc1ccc(CNC(=O)CN2C(=O)N[C@@H](c3ccccc3Cl)C3=C2COC3=O)cc1 169764809 JAQVTJRQRDNYKZ-FQEVSTJZSA-N 425.872 2.842 0 50 IFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(N(C)C)cc4)ccn3n2)cc1 169775872 KTHMHQFRVMBNPR-UHFFFAOYSA-N 431.496 2.668 0 50 IFAA CCCn1c(C)c(C(=O)OCC)c(O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c1=O 170624538 TZXWQZDEAGDKJO-UHFFFAOYSA-N 430.457 2.878 0 50 IFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Cc3csc(N4CCCC4=O)n3)C[C@H]21 230242200 YGVIWKXTFDOOSJ-USXIJHARSA-N 448.589 2.964 0 50 IFAA Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1C 253415214 FXTARGYDBMPPER-QGZVFWFLSA-N 436.530 3.000 0 50 IFAA O=S(=O)(c1cnc2nc(O)nc(O)c2c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 437203166 RPNQVYZCAWVQNU-QGZVFWFLSA-N 425.470 2.833 0 50 IFAA C[C@H](O)CN1CCN(C(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 476858654 OPCVFITWNIEAHV-GJZGRUSLSA-N 442.507 2.897 0 50 IFAA COc1cccc([C@@H]2CCN(Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2)c1OC 952962526 CEWBYPDJAGBPIU-HXUWFJFHSA-N 440.540 2.931 0 50 IFAA O=C(c1cc(O)nc2ccc(Cl)cc12)N1CCN(S(=O)(=O)c2ccccc2F)CC1 1875257332 DIYGUMWRGFYRKK-UHFFFAOYSA-N 449.891 2.880 0 50 IFAA CC(C)[C@H](CNC(=O)c1occc1-c1ccc(F)c(F)c1)NC(=O)[C@]1(C)CCN(C)C1=O 2325827696 NMAVQODYRTWDII-MBSDFSHPSA-N 447.482 2.964 0 50 IFAA CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccc(Cl)cc1 1076507 RWZPGZUNGRUYDQ-GWCFXTLKSA-N 436.917 2.909 0 50 IFAA CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 1138039 AEKZVBPHFNJYLA-UHFFFAOYSA-N 449.960 2.644 0 50 IFAA CCN1C(=O)N[C@H](c2cc(Br)c(O)c(OC)c2)C(C(=O)OCCOC)=C1C 2478304 BGBWBKSTIRYUKV-OAHLLOKOSA-N 443.294 2.713 0 50 IFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc(OC)c1OC 8660942 YZXBOVZDFWTYTE-FQEVSTJZSA-N 442.468 2.963 0 50 IFAA CCOC(=O)c1cnc(SCC(=O)Nc2ccc(Br)cc2F)nc1N 9153483 GAQWSTXXPMYNDB-UHFFFAOYSA-N 429.271 2.868 0 50 IFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(Br)c1 9303629 IAHGMVZUNGMGSZ-AWEZNQCLSA-N 428.308 2.846 0 50 IFAA O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11698038 ZQXZXKPQUZSREB-UHFFFAOYSA-N 430.921 2.780 0 50 IFAA COc1ccc(C(=O)NCc2nnc(SCCN(C)C)n2-c2cccc(OC)c2)cc1 12148750 SIKXWOHBVQWCPD-UHFFFAOYSA-N 441.557 2.868 0 50 IFAA COC(=O)c1[nH]c2cccc(OC)c2c1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1 12371697 FVLALJYYTAFULT-UHFFFAOYSA-N 433.467 2.667 0 50 IFAA COc1cc(CNCCCN2CCOCC2)ccc1OC[C@H](O)CN(C)C1CCCCC1 12704576 ZGPRANIPTWEGOJ-HSZRJFAPSA-N 449.636 2.511 0 50 IFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 19632775 INCUSDBSWJWDFB-ZWKOTPCHSA-N 440.949 2.620 0 50 IFAA COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CCN(Cc1cccnc1)CC2 19744857 URUGOGXLNQZKMX-UHFFFAOYSA-N 437.471 2.806 0 50 IFAA COc1cccc2c1OC(=O)[C@H]1[C@H](C(=O)O)[C@H]3C[C@H]1[C@H]1[C@H]3Sc3[nH]c(=O)sc3[C@@H]21 239338778 LETQKJKEXLWDSX-ZYCNDLAGSA-N 431.491 2.553 0 50 IFAA O=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1COCCN1CC(F)(F)F 239760988 CJBNZFGRTWQWCB-HOTGVXAUSA-N 437.865 2.995 0 50 IFAA C[C@@H]1CN(c2ccc(NC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 252458403 FLFBYGKGRXYZJP-LZJOCLMNSA-N 449.571 2.504 0 50 IFAA COc1ccc(N2C[C@H](C(=O)N3CCC(c4noc(C(C)C)n4)CC3)CC2=O)cc1OC 328592161 DSVZRQAXDCXTAC-MRXNPFEDSA-N 442.516 2.969 0 50 IFAA Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CC2(CCCC2)c2cccc(F)c21 470078178 FJPRUDJAZIJKKO-UHFFFAOYSA-N 446.490 2.862 0 50 IFAA CS(=O)(=O)c1cccc([C@H](NC[C@H](O)COCC2CC2)c2ccc(F)c(F)c2)c1 490178741 QMUZUZCFSZGVAI-UWJYYQICSA-N 425.497 2.835 0 50 IFAA CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)cc1Cl 917829919 HNWGXZRKCJRELV-UHFFFAOYSA-N 446.312 2.787 0 50 IFAA CCC(CC)(NC(=O)CNC(=O)c1cccs1)c1cn(-c2ccccc2C(=O)O)nn1 1875355173 CCRPMJHAAIMJDZ-UHFFFAOYSA-N 441.513 2.589 0 50 IFAA COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)c1OC 715178 MWWPLZWCFPJMRL-IBGZPJMESA-N 426.425 2.804 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1OC 5941231 POYRVGYLYHLHGQ-UHFFFAOYSA-N 444.553 2.689 0 50 IFAA O=CN1CCCN([C@@H]2CCc3c(sc4ncn(C5Cc6ccccc6C5)c(=O)c34)C2)CC1 12190541 QJFMMMNZYDTZAS-LJQANCHMSA-N 448.592 2.819 0 50 IFAA COc1ccc(CCN(C)[C@@H]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1OC 14733178 GBWPIOVMDBDNGT-GOSISDBHSA-N 426.561 2.705 0 50 IFAA O=C1CCCN1CCCNCc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1 14948525 ZMONAPVHJNSKET-DEOSSOPVSA-N 437.584 2.587 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(O)c(OC)c2)CC1 15071655 INTGLUMDXARNKU-UHFFFAOYSA-N 444.528 2.829 0 50 IFAA O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)N1CC[C@](O)(c2nc(C3CC3)no2)C1 763833665 PXDDKCSZSNDNNL-BCOMRZATSA-N 430.408 2.700 0 50 IFAA COc1cc(CN2CC(Oc3cccc(Cl)c3)C2)ccc1OCC(=O)N1CCOCC1 824609124 KQYGAMILJBFDFL-UHFFFAOYSA-N 446.931 2.849 0 50 IFAA COC(=O)Cn1cc(CN2Cc3cnn(-c4ccccc4Cl)c3CC(C)(C)C2)nn1 952895307 ZTFBEFHIKMZYFF-UHFFFAOYSA-N 428.924 2.875 0 50 IFAA COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(I)c2)cc1 640341 TWIFQYWHJPQXEE-UHFFFAOYSA-N 447.250 2.887 0 50 IFAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 2398577 OTLMGECVBMTHNI-UHFFFAOYSA-N 425.513 2.753 0 50 IFAA COCCNC(=O)c1cnn2c1N[C@@H](c1ccc(OC)c(OC)c1)C[C@H]2C(F)(F)F 8926505 HEYBVVWRKFIYPB-CJNGLKHVSA-N 428.411 2.937 0 50 IFAA COCCN(C(=O)C[C@]1(c2ccccc2C)CC(=O)N(Cc2cccnc2)C1=O)C(C)C 11912446 GFEWICGDKADFOV-RUZDIDTESA-N 437.540 2.860 0 50 IFAA Cc1cnc(C)c(N2CCN(C(=O)c3cn(Cc4cccc5ccccc45)nn3)CC2)n1 12432013 KIPQHQQLPJEGCW-UHFFFAOYSA-N 427.512 2.849 0 50 IFAA COCCn1c(CN(CCO)Cc2ccccc2)cnc1S(=O)(=O)CC1CCCCC1 15063180 VBTXMXAMEKLMEZ-UHFFFAOYSA-N 449.617 2.878 0 50 IFAA O=C(CC[C@@H]1CCCN(C(=O)c2cn3ccccc3n2)C1)N1CCN(c2ccccn2)CC1 15066188 ICOXOUKIAIWBCU-FQEVSTJZSA-N 446.555 2.711 0 50 IFAA O=S(=O)(Nc1nc2ccccc2nc1NCCCN1CCOCC1)c1ccccc1 15206673 QPXCXHRXEFXRJW-UHFFFAOYSA-N 427.530 2.565 0 50 IFAA O=C1CC[C@H](C(=O)N2CCC3(C=Cc4ccccc43)CC2)CN1CCCN1CCOCC1 19740429 UYFPLSBKGSVQCQ-QFIPXVFZSA-N 437.584 2.535 0 50 IFAA COc1ccc(CN2CCN(Cc3cccn3-c3ncccn3)C[C@@H]2CCO)c(C)c1C 19740707 RKEDTVFJAZZGGD-QFIPXVFZSA-N 435.572 2.962 0 50 IFAA COc1c(F)cc2c(=O)c(C(=O)N3CCN(c4ccccn4)CC3)cn(CCF)c2c1F 20735526 BSBUFGFUXNXLPM-UHFFFAOYSA-N 446.429 2.615 0 50 IFAA COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)n2cc(Br)ccc2nc1=O 206055862 BMVFZMPKILDHTN-LBPRGKRZSA-N 449.257 2.572 0 50 IFAA Fc1cccc(N2CCCC2)c1CN[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 237800592 CMKYUHZTLCKCPN-IBGZPJMESA-N 440.567 2.811 0 50 IFAA COc1ccc(-c2oc3cc(C)oc(=O)c3c2CC(=O)NCCNc2ncccn2)cc1 1857526319 AASCLRAUSYTFME-UHFFFAOYSA-N 434.452 2.931 0 50 IFAA COc1c(Br)c(Br)c([C@@H](O)CN)c(Br)c1OC 1857783517 VGUGLMCMURDNND-BYPYZUCNSA-N 433.922 2.983 0 50 IFAA C=CC(=O)N1CCC(C(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)(c2ccccc2)CC1 1875369608 YOOQQRUTIWDBGM-FQEVSTJZSA-N 431.536 2.902 0 50 IFAA O=C1C[C@H]2CCCCN2CCCN(C(=O)c2cn3cc(Cl)ccc3n2)CCCCN1 2100533966 NMXWUEMEMXYOQG-GOSISDBHSA-N 431.968 2.975 0 50 IFAA CCOC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@]1(C)O)OCO3 8815968 LXOGFILEDJYPBT-ZRCGQRJVSA-N 446.452 2.853 0 50 IFAA CCCCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2c1c(=O)n(C)c(=O)n2C 9130646 ZSEKTUROXRIWSC-UHFFFAOYSA-N 429.546 2.527 0 50 IFAA O=C1CC[C@@H](C(=O)N2CCCN(Cc3cccnc3)CC2)CN1CCc1cccc(F)c1 12319199 SJHDPKXEDJHFMI-JOCHJYFZSA-N 438.547 2.736 0 50 IFAA CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CN(Cc1ccc3c(c1)OCCO3)CC2 14539966 LIAVEXQVTQKBBR-UHFFFAOYSA-N 438.450 2.867 0 50 IFAA Cc1ncsc1CCCNC(=O)CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 14879087 XYZSWNBRCSOAPK-JOCHJYFZSA-N 429.542 2.901 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cc1 19790073 HROQWAQQGPHDHQ-UHFFFAOYSA-N 425.348 2.964 0 50 IFAA COc1cc(CN2CCN(Cc3ccc(NC(C)=O)cc3)C[C@@H]2CCO)cc(OC)c1 23153352 SKEOLJINUMEKPM-QFIPXVFZSA-N 427.545 2.731 0 50 IFAA CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O 25693170 GHEIPEXVLWLMRH-LEWJYISDSA-N 436.512 2.632 0 50 IFAA COc1cccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)c1 55053994 DUBBWDINEOLYAE-FQEVSTJZSA-N 433.911 2.537 0 50 IFAA CN(Cc1ccc2nsnc2c1)C(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 65497640 JKYOEGDJEFQINO-UHFFFAOYSA-N 437.481 2.985 0 50 IFAA O=C(NCc1ccco1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 169758713 IHFBXJUTTVPDFT-OAQYLSRUSA-N 434.496 2.916 0 50 IFAA CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C1=O)C2 229600558 BTTCTZVQXVCUBL-GIUVCFMKSA-N 427.501 2.513 0 50 IFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 777895345 RCMXNZRSOODNRM-UHFFFAOYSA-N 449.504 2.721 0 50 IFAA Cc1ccc(F)c(N2CCC[C@H](NC(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)C2)c1 1875263521 NZYGUKOFQPCSOU-ALNLPSSQSA-N 425.548 2.911 0 50 IFAA O=C1[C@H](NC(=O)N2CCCC23CCNCC3)CCN1c1cccc(OC(F)(F)F)c1 2325786831 HSCGTXDLXTZGDC-MRXNPFEDSA-N 426.439 2.618 0 50 IFAA O=C(Nc1ccc(I)cc1C(=O)N1CCOCC1)c1ccco1 1121018 ZAELGXLVPNYSKP-UHFFFAOYSA-N 426.210 2.609 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCCCn1cccn1 11814768 AVVATOINNAYQNT-HSZRJFAPSA-N 447.539 2.572 0 50 IFAA COc1cccc(CN2CCc3c(c(C(=O)N4CCOCC4)nn3Cc3ccccc3)C2)c1 14754733 ZJIGNYOTDVUMMX-UHFFFAOYSA-N 446.551 2.971 0 50 IFAA COC(=O)c1cc(CNC(=O)c2ccccn2)cc(NS(=O)(=O)c2cccs2)c1 14994725 DCLPBAGEXIHERF-UHFFFAOYSA-N 431.495 2.661 0 50 IFAA CCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C[C@H](O)c2ccccc2)c1=O 14995412 RDDRLXPYCFGISL-QFIPXVFZSA-N 439.556 2.984 0 50 IFAA CCOc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl 19858246 AWAFRLDPGDHAMZ-UHFFFAOYSA-N 438.933 2.974 0 50 IFAA Cn1nc2c(c1C(=O)N1CCC[C@@H](N3CCN(c4ccccc4F)CC3)C1)CCCC2 55183136 HGXBWXSXMKHFQN-GOSISDBHSA-N 425.552 2.865 0 50 IFAA COc1ccc(NC(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)cc1Cl 72441295 HEFFLVOWGKVBFE-UHFFFAOYSA-N 427.896 2.987 0 50 IFAA CSCC(=O)N1C[C@@H]2CN(c3nc(C(N)=O)cs3)C[C@]2(CCc2ccccc2)C1 1772807785 AQMOEYYGIFDVHB-IERDGZPVSA-N 430.599 2.503 0 50 IFAA O=C(Cn1cnc2sccc2c1=O)N[C@H]1CC[C@H](CN2Cc3ccccc3C2=O)CC1 1775942364 FAAXCUZPSJTABL-JCNLHEQBSA-N 436.537 2.789 0 50 IFAA Cc1ccccc1[C@H](CC(=O)N1CCN(c2cccc3cnccc23)C(=O)C1)NC(N)=O 1875259571 OMMLKERHCDMHKE-FQEVSTJZSA-N 431.496 2.518 0 50 IFAA CCOC(=O)c1cccc(CNC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1 1875263174 FYOZSWHHZWFPOE-UHFFFAOYSA-N 428.508 2.624 0 50 IFAA O=C(CN1C(=O)N[C@](c2cccs2)(C2CC2)C1=O)NC1(COc2ccccc2)CC1 1875346891 DEROWYZPIQFKMR-QFIPXVFZSA-N 425.510 2.633 0 50 IFAA COC(=O)c1ccccc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1-c1ccc(C)cc1 12462138 BYODDSCRDVIWDV-UHFFFAOYSA-N 449.492 2.935 0 50 IFAA biogenic,in-vitro O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN(C(=O)COc2ccccc2Cl)C1 12590682 MECSGDYOTIZILW-OAHLLOKOSA-N 440.891 2.572 0 50 IFAA Cc1cnc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)cn1 19939893 SBFWDKGZCKZKCL-HSZRJFAPSA-N 445.523 2.584 0 50 IFAA CN1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nccn3C)CN2Cc2ccccc2Cl)CC1 20706917 PICZSPRRLGKFFO-QUCCMNQESA-N 448.036 2.973 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc3nonc3c2)CC1 55360424 VRBMJVSMYKRYAQ-UHFFFAOYSA-N 440.500 2.651 0 50 IFAA COc1ccc(N2C[C@@H](C(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)CC2=O)c(OC)c1 253400359 DWVWVAORASEINR-CMKODMSKSA-N 429.561 2.780 0 50 IFAA Cc1ccc([C@H](NC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccn2)cc1 472036594 YKLVAEUNYRLZDR-HJWIKWMHSA-N 430.508 2.586 0 50 IFAA Fc1ccc(-c2noc([C@]3(C(F)(F)F)CCN(Cc4nnc5n4CCOC5)C3)n2)cc1 952892152 FGAKUBGIHISQSW-SFHVURJKSA-N 438.385 2.703 0 50 IFAA COc1ccccc1N1CCN([C@H]2CCN(Cc3ccncc3)C[C@H]2CCC(=O)O)CC1 1565513113 PDJWYPXYSIWUII-YADHBBJMSA-N 438.572 2.968 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(c3nccc(N4CCC[C@H](O)C4)n3)CC1)OCC2 1704336849 SCSDLHCQEHWDBB-SFHVURJKSA-N 440.544 2.523 0 50 IFAA Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857716560 AQUVSAIGESGLHI-QZTJIDSGSA-N 429.498 2.689 0 50 IFAA O=C(CSc1ncnc2ccccc12)N1CCC(C(=O)N2CCc3cccnc32)CC1 1875254401 CKZKQJNETGVBDF-UHFFFAOYSA-N 433.537 2.945 0 50 IFAA CCN1CCN(c2cc(CNC(=O)NCc3ccc(N=c4cc[nH]cc4)cc3)ccn2)CC1 1875303323 NODRZPQIGWJQDS-UHFFFAOYSA-N 445.571 2.783 0 50 IFAA O=C(COCC(=O)NCC1(c2ccccc2F)CC1)NCC1(c2ccccc2F)CC1 2325723885 LRFZLBAGMWWDDJ-UHFFFAOYSA-N 428.479 2.977 0 50 IFAA O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc2ccccc2n1CCc1ccccn1 2325742001 XBBCZRAXDRTQBN-OALUTQOASA-N 443.507 2.954 0 50 IFAA C[C@H](C(=O)N1CCC([S@](C)(=O)=NC(=O)[C@H]2CC23CCC3)CC1)N(C)CC(F)(F)F 2332239179 ZONGZKBTQACHKQ-IWZUZTOOSA-N 437.528 2.675 0 50 IFAA O=C([C@@H]1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1)N1CCOCC1 12031288 CRIJXQYTOBDCGW-MRXNPFEDSA-N 438.450 2.750 0 50 IFAA O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(CCCc1ccccc1)CC2 12037373 XXLLUHHJKUKYQG-UHFFFAOYSA-N 435.547 2.810 0 50 IFAA COc1ccc(CN(C)CCn2nc(C)cc2C)cc1OC[C@H](O)CN1CCCCC1 12836196 SMAWQUTWWUTXFA-JOCHJYFZSA-N 430.593 2.866 0 50 IFAA CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1 13552393 DORDTVSEOQQPKD-LJQANCHMSA-N 439.537 2.862 0 50 IFAA O=C1CCCCN1CCCC(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55244244 ORKSFHVHOBXMHN-QFIPXVFZSA-N 430.568 2.731 0 50 IFAA COc1ccc(NC(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)c(OC)c1 72437596 IVURZWXEHCKJAD-UHFFFAOYSA-N 426.521 2.838 0 50 IFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 263585422 IJUXQFRPWFPVRR-JVNMPXIPSA-N 427.589 2.946 0 50 IFAA biogenic C[C@H]1CN(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C[C@@H]1N1CCOCC1 435104758 HFWHBQTXPMMBFK-CVDCTZTESA-N 436.556 2.844 0 50 IFAA O=C(NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH]ncc3c2)C1)Nc1cccc(F)c1 439100700 OYBXJQSVVSFHKG-CQSZACIVSA-N 438.463 2.701 0 50 IFAA C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 1295396870 DVXAHOCYJMPQBK-HBGVWJBISA-N 430.476 2.792 0 50 IFAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(C(=O)c2cccc3c2COC3)CCCN1 1875240108 ILIYNCRVOVGZDA-FQEVSTJZSA-N 449.551 2.749 0 50 IFAA O=C(NS(=O)(=O)N1CCCCC1)c1ccc(Br)c(OC(F)(F)F)c1 1875344322 CBAGGXCZHQKEDR-UHFFFAOYSA-N 431.230 2.808 0 50 IFAA CC[C@@](C)(O)c1cn(Cc2cccc(C(=O)N[C@@H](C(=O)O)c3ccc(F)c(C)c3)c2)nn1 1875354006 OAQMJBWQALXXHN-NFBKMPQASA-N 440.475 2.947 0 50 IFAA O=C(COc1ccccc1Cl)Nc1nnc(S(=O)(=O)N2CCCCCC2)s1 8588202 LSHQMFOYBDSNJK-UHFFFAOYSA-N 430.939 2.774 0 50 IFAA COc1cc(C(=O)N2CCCc3cccc(OCCNC(C)=O)c32)cc(OC)c1OC 12364282 ASXFZLSENPKCJI-UHFFFAOYSA-N 428.485 2.820 0 50 IFAA biogenic,in-vitro COC(=O)C1CCN(C[C@@H](O)COc2ccc(CN(C)Cc3ccccc3)cc2)CC1 12439343 LWUFDPUATYKFCD-HSZRJFAPSA-N 426.557 2.943 0 50 IFAA CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 12445256 UYBDBZKTWMBYIG-OAHLLOKOSA-N 437.953 2.627 0 50 IFAA COCc1c(C(=O)NCC(C)(C)CN(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CC2 15071459 ISMRUEIMUUPSGC-UHFFFAOYSA-N 448.571 2.892 0 50 IFAA COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 19891986 SEVVRRRLBPTNBY-RTWAWAEBSA-N 442.512 2.934 0 50 IFAA Cc1ccc(N2CCN(CCc3nc4cc(NS(C)(=O)=O)ccc4n3C)CC2)cc1 20518634 VHSNEFAPIRVJOK-UHFFFAOYSA-N 427.574 2.618 0 50 IFAA Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)CC1 20616977 MKISXLHVOTUCRN-UHFFFAOYSA-N 440.495 2.962 0 50 IFAA CC(=O)Nc1cccc(C(=O)N2CCC3(CC2)NC(=O)N(c2cccc(Cl)c2)N3)c1 169764140 WQOAWEYHSCGATP-UHFFFAOYSA-N 427.892 2.965 0 50 IFAA O=C(O)c1ccccc1CCNS(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 776615068 UAYFXRWVQRECGQ-LJQANCHMSA-N 446.525 2.648 0 50 IFAA COc1ccc(Cc2nnc(N3CCN(C4CC4)C(=O)C3)n2CCc2ccccc2)cc1 1875252911 ILKKHKREAYRVFI-UHFFFAOYSA-N 431.540 2.931 0 50 IFAA CCOc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 889000 BKSDJDWQPFSAFR-FQEVSTJZSA-N 432.542 2.884 0 50 IFAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2ccccc2s1 1471287 HSXVILJLNBVNRN-UHFFFAOYSA-N 433.511 2.578 0 50 IFAA COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(C(=O)Cc1ccc(SC)cc1)CC2 12281040 LCJXYUQCWFVUET-UHFFFAOYSA-N 444.553 2.771 0 50 IFAA COC(=O)CC[C@H](C)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 12712606 MMXHDIFUPOWSJI-INIZCTEOSA-N 439.984 2.816 0 50 IFAA CN1CCC[C@H](CNC(=O)c2cc(NC3CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1 14541993 COCQXLWIPXLPHT-MRXNPFEDSA-N 436.622 2.799 0 50 IFAA O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(Cc2ccccc2)CC1 19643760 CMTNIUMECFBOSR-UHFFFAOYSA-N 445.560 2.571 0 50 IFAA C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2ccc([Si](C)(C)C)cc2)C1=O 170613010 LAUSPKKYSRWRNS-NRFANRHFSA-N 430.602 2.603 0 50 IFAA O=C(Cn1c(=O)n2nnnc2c2ccccc21)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 170614802 GRYPXNDREGNJRI-JOCHJYFZSA-N 449.474 2.817 0 50 IFAA O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc2ccccc2n1CCc1ccccn1 2325742000 XBBCZRAXDRTQBN-KDURUIRLSA-N 443.507 2.954 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 653652 VFLXYRPQTHFWTK-JKALPCAWSA-N 438.505 2.708 0 50 IFAA Cn1c(=O)c2c(nc(Oc3ccc4c(c3)OCO4)n2Cc2ccccc2Cl)n(C)c1=O 1150336 BMEYMORJKCGRMM-UHFFFAOYSA-N 440.843 2.656 0 50 IFAA biogenic COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 1196733 PZEJJFHFIMXAFD-UHFFFAOYSA-N 431.539 2.885 0 50 IFAA COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c1=O 12193414 YLZUXPHZVDDARJ-QGZVFWFLSA-N 443.544 2.770 0 50 IFAA COc1cc(=O)n2c(c1C(=O)N1CCSCC1)CCN(Cc1ccccc1Cl)CC2 19739952 DMBLNIRKQHQNRB-UHFFFAOYSA-N 447.988 2.758 0 50 IFAA COc1ccc([C@]2(CC(=O)N3CCN(C(C)C)CC3)CC(=O)N(CCC(C)C)C2=O)cc1 20450732 ZRFPHHLMJQLGQJ-VWLOTQADSA-N 443.588 2.681 0 50 IFAA COc1ccc(F)cc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1 241738501 QYCJIUXBXRYKBC-XLIONFOSSA-N 449.523 2.858 0 50 IFAA Cn1cnn(-c2ccc(NC(=O)N[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)cc2)c1=O 481381897 NWJKFEVIAFZZIN-CQSZACIVSA-N 430.871 2.764 0 50 IFAA COc1ccc2c(c1)CCOC21CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC1 2356143113 VOGATCPSSPGACM-UHFFFAOYSA-N 429.538 2.732 0 50 IFAA COc1ccc(S(=O)(=O)NCc2ccco2)cc1N(C)S(=O)(=O)c1ccccc1 9010291 XQGWOWBTMHEZFR-UHFFFAOYSA-N 436.511 2.592 0 50 IFAA COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1cccc(C(=O)O)c1 13544866 JSNKWIHGHGUCHB-VGOFMYFVSA-N 447.241 2.915 0 50 IFAA COc1ccc(CNCCCN2CCOCC2)cc1OC[C@H](O)CN1CCCCCCC1 14948802 ACLYADCTBQAJSS-HSZRJFAPSA-N 449.636 2.513 0 50 IFAA CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3C)cc2C[C@@H]1C 15936378 QKPIHWINKRFSSN-AWEZNQCLSA-N 433.505 2.739 0 50 IFAA CC(C)N1C[C@H](NCc2c(F)cccc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 39537304 ISDWKFONIGIJKA-UTKZUKDTSA-N 445.510 2.993 0 50 IFAA C[C@](Cc1ccccc1)(NC(=O)COc1ccc(I)cc1)C(=O)O 170671891 AHKFJEAKVXSPAP-GOSISDBHSA-N 439.249 2.872 0 50 IFAA C[C@]1(c2ccc(CNC(=O)N[C@@H]3c4ccccc4CC34CCOCC4)cc2)NC(=O)NC1=O 460360572 DUPMGRGZLPCZSJ-HYBUGGRVSA-N 448.523 2.635 0 50 IFAA C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC([S@](C)(=O)=NC(=O)c3ccc4nonc4c3)CC2)[C@H]1C 2332238640 GFVUORNONMOQGP-YFTHFJQFSA-N 448.545 2.511 0 50 IFAA CCOc1ccc([C@H]2C(C(=O)OCCOC)=C(C)N=C3SCCC(=O)N32)cc1OC 2486177 DUYMFUZFVROTLD-IBGZPJMESA-N 434.514 2.934 0 50 IFAA O=C(NCc1ccc(F)c(F)c1)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 12100144 KDJYILYEPAAQAV-UHFFFAOYSA-N 437.446 2.997 0 50 IFAA O=C(C[C@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O)N1CCCCC1 12247062 DSSPACRTGMQQLC-RUZDIDTESA-N 435.524 2.950 0 50 IFAA NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)cc1 13659286 DEQNVXPKBHMDLU-GUSDSWBTSA-N 443.506 2.565 0 50 IFAA O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccc(F)cc1 16622365 HWXRWQRBHJGWDU-UHFFFAOYSA-N 428.869 2.518 0 50 IFAA CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OC)=C(C)N=2 16699923 JVLBSOGCQNTBQF-WPNIOXTASA-N 440.546 2.868 0 50 IFAA COc1ccccc1N1CCN([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)CC1 55226486 MOBOEDSOHFDGLQ-SFHVURJKSA-N 433.549 2.810 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1cc2cc(Cl)ccc2[nH]1 55576293 WJDCNFUGDJIRSY-HXUWFJFHSA-N 428.895 2.967 0 50 IFAA Cc1cc([C@H](NCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C(C)C)c(C)s1 252512276 OQTSXKXUHFJUBJ-WAOWUJCRSA-N 442.647 2.846 0 50 IFAA O=C(O)C[C@H]1CN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCO1 486395922 DXILGLYTQDOHEG-QFBILLFUSA-N 430.888 2.903 0 50 IFAA Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1C 1848442302 FPWAIEHASDWCPT-INIZCTEOSA-N 428.872 2.876 0 50 IFAA CO[C@H](C(=O)N1CCC([S@](C)(=O)=NC(=O)[C@@H]2CCC[C@@H](C)C2)CC1)c1cnn(C)c1 2332239121 XIYDOPQAQIYABX-USKYMCTESA-N 438.594 2.549 0 50 IFAA O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CCCN1 2356162065 WAIMHOUQFZMPDE-QFIPXVFZSA-N 446.555 2.935 0 50 IFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1 953218 MGYIMUZFRUUOGT-MRXNPFEDSA-N 431.514 2.929 0 50 IFAA CCN1CCN(c2ncc3c(n2)C[C@@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)CC1 2199977 LFCXGNKMUFQVTH-OAHLLOKOSA-N 426.517 2.557 0 50 IFAA COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@@H](O)CN1CCC(O)CC1 11774144 ULGQKIWZCPLZAS-QFIPXVFZSA-N 432.536 2.629 0 50 IFAA CC(C)CC[C@@]1(C2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)NC(=O)N(CCN(C)C)C1=O 12157985 BNXIJKJZHNSJKR-NTWACIBNSA-N 444.620 2.726 0 50 IFAA Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1cccnc1 13494706 WDVTYLGUSQRKSY-UHFFFAOYSA-N 425.510 2.564 0 50 IFAA CN1CCN(C[C@@H](O)COc2ccc(CNCC3C4CC5CC(C4)CC3C5)cc2)CC1 19789605 VWOJONJYXGATPA-ZXNQMKFVSA-N 427.633 2.836 0 50 IFAA C[C@@H]1COC[C@@H](C)N1C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 170636741 RLSBMCKAFAYHTD-NXEZZACHSA-N 428.308 2.929 0 50 IFAA COC[C@]1(CNC(=O)[C@H](C)NC(=O)OCc2ccccc2)CCCN1C(=O)OC(C)(C)C 253423173 UFSBZVIRXCNBFR-GAJHUEQPSA-N 449.548 2.834 0 50 IFAA COc1ccccc1[C@@]1(CC(=O)N2CCC[C@@H](OC)C2)CC(=O)N(C2CCCC2)C1=O 299774855 JJQNKLJWJFZUPX-HOYKHHGWSA-N 428.529 2.662 0 50 IFAA CC(C)(NC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1)c1ccccc1 408524968 DLEVSBBIDXYZSN-RGBOINFLSA-N 440.565 2.742 0 50 IFAA CN(C)S(=O)(=O)c1cccc(N2C(=O)N[C@H](C[C@@H]3CCCc4ccccc43)C2=O)c1 445865236 ADJYZNDIGYDXND-OXJNMPFZSA-N 427.526 2.872 0 50 IFAA COc1cccc2c1C1(CCN(C(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)CC1)OCC2 1704329636 XECCKVPUEDVWKS-UHFFFAOYSA-N 444.553 2.664 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2nc3c(s2)CCC3)C1 1857694789 XRFDHEZJWPIPBI-YDIMBITNSA-N 446.661 2.503 0 50 IFAA NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 8857598 ZTSKBTRYOOXBCA-UHFFFAOYSA-N 437.477 2.502 0 50 IFAA Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1cc(F)cc(F)c1)CC2 12026781 HNHIPCFAFNJPIW-OAJJDEHYSA-N 430.455 2.957 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)N(CC2CC2)C[C@H]2CCCO2)(c2ccccc2)C1=O 12098584 XAYMMWNXGJIZIK-PXDATVDWSA-N 442.556 2.528 0 50 IFAA CCCCN(C)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(Cc2nonc2C)C3=O)C1 12470126 HLZQKVDRELTXMM-INIZCTEOSA-N 439.516 2.649 0 50 IFAA COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3cn[nH]c3)C2)c1 14537156 PCASPXWRPZOVFE-QHCPKHFHSA-N 448.523 2.531 0 50 IFAA CC(=O)N1CCC[C@H]1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccc2)C1 14538243 PFIMKUDILQVTCA-GOTSBHOMSA-N 441.572 2.586 0 50 IFAA COc1ccc(OC)c(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 16215276 YZNYLENACZXUCU-UHFFFAOYSA-N 446.569 2.951 0 50 IFAA Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)N1CCN(c2ccccn2)CC1 20426594 RMVNVOJZSVNGGS-UHFFFAOYSA-N 443.554 2.610 0 50 IFAA Cc1ccc(S(=O)(=O)Nc2nsc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 225398060 ANMVBUOXNQITIX-UHFFFAOYSA-N 445.592 2.766 0 50 IFAA COc1ccc(OC[C@@H](O)CN(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 245229481 YWOCTZSRUMJIJE-ROUUACIJSA-N 439.961 2.778 0 50 IFAA CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 248176181 VVRZYAAZHPSTHP-YTQUADARSA-N 449.617 2.968 0 50 IFAA Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(Cc2cccs2)CC1 299785042 QFSRWBBJYQJUHK-LJQANCHMSA-N 442.585 2.940 0 50 IFAA O=C(NC[C@H]1CC2(CC2)CN1C(=O)c1cc(O)c2ccoc2c1)c1cc2ncccn2n1 1875358924 NGOATQJYTSNQQU-OAHLLOKOSA-N 431.452 2.606 0 50 IFAA C=CC(=O)N1CCC[C@H](C(=O)N=[S@@]2(=O)CCOc3ccc(Br)cc32)C1 1875371993 SWMMCWYHBXDAGS-UOXLDJKESA-N 427.320 2.620 0 50 IFAA COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCCCc2ccccc2Cl)cc1OC 2100482173 CCINGMJNITVHMP-RTWAWAEBSA-N 432.904 2.662 0 50 IFAA O=C(Oc1ccc(Br)cc1)c1cc(S(=O)(=O)N2CCOCC2)cs1 1139248 AUTLLEQZCYEHBN-UHFFFAOYSA-N 432.317 2.751 0 50 IFAA CCOC(=O)Cn1nc(C)c(NC(=O)c2ccccc2I)c1C 1426768 JWDRDIWDAIPNCC-UHFFFAOYSA-N 427.242 2.920 0 50 IFAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 2838316 LIMSHTZLDPXYTG-HNNXBMFYSA-N 433.530 2.628 0 50 IFAA COc1ccc(NC(=O)Cc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)cc1 6456676 BIIOCPRNGMTYGS-UHFFFAOYSA-N 436.497 2.534 0 50 IFAA O=C(CCC1CCN(C(=O)CCc2cnccn2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 12074662 AHMWQYQQJSHNLP-XMMPIXPASA-N 449.599 2.819 0 50 IFAA COCc1ccc(C(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3ccccn3)C2)s1 14532957 WZERCZQXTVQRJF-SFHVURJKSA-N 431.558 2.815 0 50 IFAA CN(C)CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(CCc2ccccc2)C1 14534317 OYHDCHARIRTVOH-LEWJYISDSA-N 440.563 2.623 0 50 IFAA COc1cc2nc(CN3CCN([C@H]4CCc5ccccc5C4)CC3)nc(N)c2cc1OC 20599056 YHSLNEGTNFUFOT-IBGZPJMESA-N 433.556 2.904 0 50 IFAA CCc1ccc(OC[C@@H](O)CN2CCN(C[C@H](O)COc3ccc(CC)cc3)CC2)cc1 22942670 BOLVXGMIEUNXPG-ZEQRLZLVSA-N 442.600 2.609 0 50 IFAA COc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1Cl 33326817 VFFACCADLYIZEZ-UHFFFAOYSA-N 446.939 2.638 0 50 IFAA Cc1c(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cccc1N(C)S(C)(=O)=O 65363319 ZLXWLTOVEGYRMN-UHFFFAOYSA-N 445.585 2.794 0 50 IFAA O=C1NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCOC[C@H]32)C(=O)N1c1ccccc1 247695437 ZPPJXXSXZFDYCE-LAUBAEHRSA-N 445.397 2.736 0 50 IFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NC1CCN(Cc2ccc(F)cc2)CC1 334162039 MMTLYGIOBQOSIZ-SVFBPWRDSA-N 434.581 2.632 0 50 IFAA CC[C@H](C)[C@H](NC(=O)Cc1c(-c2ccc(OC)cc2)oc2c(=O)cc(C)oc12)C(N)=O 823491201 UOFPOGPEWRKFHW-BUXKBTBVSA-N 426.469 2.929 0 50 IFAA biogenic Cn1cc(CN2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)c(-c2ccccc2)n1 1875262792 FBWSPUCFPKEFIH-UHFFFAOYSA-N 438.553 2.671 0 50 IFAA O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)OCCN1CCCS1(=O)=O 1875263096 IBHNTPNGXODNCK-MDZDMXLPSA-N 438.509 2.526 0 50 IFAA O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 899525 XLZWHEMAVWTRON-UHFFFAOYSA-N 434.514 2.674 0 50 IFAA COc1ccc(CN(C)C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)cc1OC 11909178 JPSVGWLTHJWSQP-QHCPKHFHSA-N 428.460 2.518 0 50 IFAA O=C(c1n[nH]c2c1CCC2)N1CCc2c(c(C(=O)N3CCCC3)nn2Cc2ccccc2)C1 14541849 BGMMRZZRUNVKJI-UHFFFAOYSA-N 444.539 2.578 0 50 IFAA Cc1cccc(-n2ccnc2CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c1 39412682 NASBGNSXADARDE-XMMPIXPASA-N 425.621 2.922 0 50 IFAA COc1ccc(CN2C=C(C(=O)OCc3ccccc3OC)C(C)=NS2(=O)=O)cc1 169755184 FKIARZUKHKYPJK-UHFFFAOYSA-N 430.482 2.852 0 50 IFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(OC)cc2)C2=C1C(=O)OC2 169780820 CFTPKLTUOVJJBZ-NRFANRHFSA-N 437.452 2.610 0 50 IFAA O=C1CO[C@H](CNc2ccc(C(F)(F)F)cn2)CN1CC1CCN(CC2CC2)CC1 299794712 MQDBSEBJBOGVQE-GOSISDBHSA-N 426.483 2.862 0 50 IFAA Cc1nn(C)c(Cl)c1S(=O)(=O)N(C[C@@H]1CCCO1)c1ccc(Br)cn1 328593930 AVQXHDRSRQLGRX-LBPRGKRZSA-N 449.758 2.914 0 50 IFAA O=C(O)CC[C@]12CCC(=O)N1c1cc(F)c(F)cc1-c1nc(=O)c(-c3ccccc3)nn12 408525816 PAEDNQSSEHBJIG-JOCHJYFZSA-N 438.390 2.909 0 50 IFAA Cc1csc([C@@](O)(CC(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)C(F)(F)F)n1 771676554 LYFOPWGYJIGMEC-IBGZPJMESA-N 448.555 2.609 0 50 IFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)N3CCCC3)cc(c1)-n1ccnc1-2 1875240204 MBTFLNFWACVVGG-UHFFFAOYSA-N 432.480 2.793 0 50 IFAA O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)s1)N1CCOCC1 1105306 MGTLEDZZLMHJTP-UHFFFAOYSA-N 431.333 2.784 0 50 IFAA CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc(F)cc2)NC(=O)c2ccccc2)CC1 9331160 ZPINNJZNQAYAQX-SILNSSARSA-N 425.460 2.897 0 50 IFAA CCC(=O)N1CCc2c(sc(S(=O)(=O)N3CCCCCCC3)c2C(=O)OC)C1 14966914 KVOAKQBHSBLIMM-UHFFFAOYSA-N 428.576 2.784 0 50 IFAA COc1cccc(N2CCN(C(=O)CC[C@]3(Cc4cccs4)CCC(=O)N3)CC2=O)c1 19224365 OJMOEMMMMMYZFD-QHCPKHFHSA-N 441.553 2.604 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2)CC1 19635483 DTMGVDWBNKLNRX-JOCHJYFZSA-N 425.573 2.853 0 50 IFAA Cn1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(-c2ccc3c(c2)OCCO3)n1 23358516 VJCGKDZFWWZBIC-UHFFFAOYSA-N 448.523 2.905 0 50 IFAA C[C@H](NC(=O)c1ccccc1CN1CCOCC1)c1cc(F)ccc1N1CCN(C)CC1 170591186 JDNYXYVHOPMXQD-IBGZPJMESA-N 440.563 2.901 0 50 IFAA COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 481875512 OLXBARSWNGIHCB-TZIWHRDSSA-N 443.569 2.636 0 50 IFAA COc1ccccc1CN1C[C@H](C(=O)N=c2[nH][nH]c3c(C(F)(F)F)cccc23)CC1=O 2356169725 XLPCFDIFOZWLPN-CYBMUJFWSA-N 432.402 2.999 0 50 IFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)C1 2807972 MZVPNCGSOXWIKR-GFCCVEGCSA-N 431.345 2.848 0 50 IFAA COC(=O)[C@@](NC(=O)c1ccccc1)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F 2863681 KKUGDVNVLMCKQX-FQEVSTJZSA-N 433.386 2.835 0 50 IFAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCCc3ccccc3)cc2)CC1 12835384 NJFYINIUYJUJSA-QHCPKHFHSA-N 426.557 2.644 0 50 IFAA CN(C)CCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccn3)CC2)C1=O 14752838 PBCGSPPLMXYXMX-UHFFFAOYSA-N 449.599 2.875 0 50 IFAA Cn1nc(C(=O)N2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)ccc1=O 14969510 IDIVOSZVPJHKFM-GOSISDBHSA-N 430.508 2.730 0 50 IFAA C=Cc1ccc(N2CCC3(CC2)CN(CCCN2CCN(C(C)C)CC2)C(=O)O3)nc1 77297950 RJJRMDYAPNOCNU-UHFFFAOYSA-N 427.593 2.932 0 50 IFAA Cc1ccc(NC(=O)Cn2c(=O)c(-c3noc(C)n3)c3n(c2=O)CCCCC3)c(Cl)c1 169764035 YOAIMBZQTPPSTM-UHFFFAOYSA-N 443.891 2.695 0 50 IFAA O=C(CC[C@@H]1N=C(O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CC[C@@]2(O)CCCC[C@H]2C1 252478933 AXODCLCWOALDCX-SAZGQGMLSA-N 439.434 2.667 0 50 IFAA Cc1c(C)[n+]([O-])c([C@H](CC(C)C)C2C(=O)N(C)C(=O)N(C)C2=O)n1Cc1ccccc1 263588405 TUJPVTSWFLOJBA-GOSISDBHSA-N 426.517 2.583 0 50 IFAA COc1ccccc1CNC(=O)CN(c1ccccc1Br)S(C)(=O)=O 869413 RIHHYIXVBSJZGT-UHFFFAOYSA-N 427.320 2.540 0 50 IFAA COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1n[nH]c2c1CCC2 12445581 HNNVNIOTUHXAHC-UHFFFAOYSA-N 426.561 2.908 0 50 IFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc1 12713550 FPGMCYQOLWIPSG-SFHVURJKSA-N 432.542 2.681 0 50 IFAA Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 15671282 HLYOWIWSNHAYAZ-UHFFFAOYSA-N 429.590 2.903 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc3[nH]c(C)cc3c2)c(F)c1 20905579 AEKMDDDJBVOBMH-JOCHJYFZSA-N 438.503 2.631 0 50 IFAA C[C@@H]1CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)C[C@H](CO)O1 170605402 KITKWQVHDWWQRL-MWLCHTKSSA-N 438.328 2.527 0 50 IFAA O=C(Nc1cncnc1N1CCCC1)[C@H]1CC(=O)N(c2ccccc2Br)C1 499449609 NIXBKNNKKSPBOD-ZDUSSCGKSA-N 430.306 2.831 0 50 IFAA CN(C(=O)C1SCCS1)[C@H](CNC(=O)c1cc(C(N)=O)cs1)c1ccccc1 1875346952 FJAXWCWYFMZWQP-CQSZACIVSA-N 435.596 2.583 0 50 IFAA COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)c(OC)c1 1076596 XFDWUUHLFKJJLG-UHFFFAOYSA-N 436.530 2.964 0 50 IFAA O=C(O)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)O)cc3)cc2)cc1 3129995 YHPUOYIGPPMSRM-UHFFFAOYSA-N 446.458 2.749 0 50 IFAA O=C(CCC1CCN(C(=O)C2CCOCC2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 12076776 GWZBBQCBAQCWRK-HSZRJFAPSA-N 427.589 2.823 0 50 IFAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 12706700 JZANNGZNMYBRNR-LJQANCHMSA-N 436.574 2.551 0 50 IFAA COc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1OC1CCN(C(C)=O)CC1 14977361 AFASIOATWUACHT-UHFFFAOYSA-N 429.561 2.785 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)cc1OC 16400649 RAIFDWASPPAFDG-UHFFFAOYSA-N 432.542 2.560 0 50 IFAA CCc1ccccc1N(CC(=O)N1CCN(CC)CC1)S(=O)(=O)c1ccc(C)cc1 20363217 HSLCIPJCJUAPDK-UHFFFAOYSA-N 429.586 2.917 0 50 IFAA CC(C)N1C[C@@H](NCc2c(F)cccc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 32560954 ISDWKFONIGIJKA-UWJYYQICSA-N 445.510 2.993 0 50 IFAA COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)NC1C2CC3CC(C2)CC1C3 55568915 XMBPXMDEQWCWOY-VRIXXSSPSA-N 437.584 2.840 0 50 IFAA C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(C(F)(F)F)cs1 225613011 OJWHGWGNLVJTPG-NSHDSACASA-N 449.476 2.674 0 50 IFAA Cc1ccc(OCC(=O)N2CCN(Cc3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)cc1 263615438 CKBXJQSCKXKCBO-XMMPIXPASA-N 447.539 2.581 0 50 IFAA Cc1nc(Cn2nnc(C(=O)N[C@H]3CSc4ccc(Br)cc43)c2C)no1 470540535 WWWHMRBKHBAMAJ-LBPRGKRZSA-N 435.307 2.666 0 50 IFAA COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 741372788 JTRXTJUKNGQCNT-MSOLQXFVSA-N 440.496 2.883 0 50 IFAA C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NC4CCCCC4)cn1c23 888104057 XXHDQBFUYRXFCX-HNNXBMFYSA-N 442.535 2.908 0 50 IFAA Cc1nn(C)c(C)c1[C@H](O)CNC(=O)NCc1ccccc1CN(C)Cc1ccco1 1477948550 XOJFYQQMHJDTTK-OAQYLSRUSA-N 425.533 2.795 0 50 IFAA O=C(Cc1cncc(O)c1)N1CCC[C@H]([C@@H]2CCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1875361539 UZFRCOMJHJAGKL-VQTJNVASSA-N 447.539 2.949 0 50 IFAA O=C(O)[C@H]1CC2(CCSCC2)CN1C(=O)[C@H]1Cc2cc(Br)cnc2C1 2325877218 MPAMENIAHALVJQ-SWLSCSKDSA-N 425.348 2.758 0 50 IFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCc5cccc(Cl)c54)ccc3C2=O)C(=O)N1 2325901695 UMDFUJJHHYNDMR-KRWDZBQOSA-N 438.871 2.696 0 50 IFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCCc5c(F)cccc54)ccc3C2=O)C(=O)N1 2325901742 WAPSGYYMTLNPDH-IBGZPJMESA-N 436.443 2.571 0 50 IFAA Cc1cc(C(=O)N=S2(=O)CCC3(CC2)C[C@@H](NC(=O)[C@@H]2CC2(F)F)CCO3)ns1 2332238266 JNNTYUXUMBNASI-YRJGACPJSA-N 447.529 2.543 0 50 IFAA CCOC(=O)c1oc2cc(OS(C)(=O)=O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 2107236 LEDKWWMSQIQKFV-UHFFFAOYSA-N 448.449 2.992 0 50 IFAA biogenic COc1ccc(CNC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1 2835475 GIYQASYSOXSJBG-UHFFFAOYSA-N 425.514 2.858 0 50 IFAA COc1ccc(C2=NO[C@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1OC 6577636 JDTKWGLGXUWTFV-FQEVSTJZSA-N 436.468 2.633 0 50 IFAA CCOC(=O)[C@@H]1CCCCN1Cc1nc(N2CCCN(C(C)=O)CC2)c2ccccc2n1 11995515 USEGKRWVIKFDDN-NRFANRHFSA-N 439.560 2.606 0 50 IFAA Cn1cnnc1SCCNC(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 12022205 HEVHYEVMVYPOOF-UHFFFAOYSA-N 427.408 2.923 0 50 IFAA Cc1cn2c(C(=O)N3CCC[C@H](CNS(=O)(=O)Cc4ccccc4)C3)csc2n1 12440057 FEOGHRKPRLEPBK-QGZVFWFLSA-N 432.571 2.676 0 50 IFAA O=C1CCCN1CCCNCc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1 14948520 ZMONAPVHJNSKET-XMMPIXPASA-N 437.584 2.587 0 50 IFAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCc1cnn(C)c1 15063085 SLJXIFPKRLTVDM-OAQYLSRUSA-N 429.584 2.794 0 50 IFAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)C2CCN(C)CC2)C1 15064654 JCKRCDMWSSZEGE-NRFANRHFSA-N 430.637 2.639 0 50 IFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccccc2OC)C2=C1C(=O)OC2 169764798 PUVUUPCSPYGNKH-OAQYLSRUSA-N 437.452 2.610 0 50 IFAA O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 170593276 HIKKGFIMHHXXDQ-NRFANRHFSA-N 436.537 2.869 0 50 IFAA O=C1C[C@@H](C(=O)N2CCN(Cc3coc(-c4ccccc4)n3)CC2)CN1Cc1ccco1 170605906 TWEWTOPRBNFUPJ-LJQANCHMSA-N 434.496 2.628 0 50 IFAA Cn1cnnc1[C@@H]1CCCN1c1cc(N2CCC[C@@H]2c2nncn2C)nc(C(C)(C)C)n1 225823183 KEOPOQPUYHRADP-IYBDPMFKSA-N 436.568 2.714 0 50 IFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2cc(F)ccc2F)CCO3)CC1 299768763 KNWVAUUURZXJTQ-UHFFFAOYSA-N 429.467 2.664 0 50 IFAA FC(F)(F)c1ccc([C@H](CNc2cc(N3CCOCC3)ncn2)N2CCOCC2)cc1 302874746 DNNYFSNJVDHECI-SFHVURJKSA-N 437.466 2.817 0 50 IFAA Cc1ccc(-c2nnco2)cc1N1C(=O)[C@@](C)(c2ccc(S(C)(=O)=O)cc2)N=C1O 328595382 SUSFDPUAZNDFDX-HXUWFJFHSA-N 426.454 2.625 0 50 IFAA C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)C1CC(c2ccc(OC(F)(F)F)cc2)C1 1875263316 YHMIDFMNKDKMRN-UEPNXXICSA-N 434.480 2.865 0 50 IFAA CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](NC(=O)c1cc(F)c(F)c(F)c1)C(C)(C)C 1875345107 SAMKHKOBHBPHIH-IRXDYDNUSA-N 429.483 2.915 0 50 IFAA CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(Br)cc2)c2ccccc21 1143189 CLTWIQGJEUTDQU-FQEVSTJZSA-N 432.270 2.819 0 50 IFAA CC(C)CCN(CCN1C(=O)c2ccccc2C1=O)CCN1C(=O)c2ccccc2C1=O 1203007 KGIMCQRDPOIOEI-UHFFFAOYSA-N 433.508 2.927 0 50 IFAA CCc1c(C)sc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c1C(N)=O 2762524 RBSSEVSTZIBLPM-UHFFFAOYSA-N 436.342 2.924 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1cccs1 8424459 INOKDTWEHYROKC-FYXHJSOBSA-N 428.510 2.999 0 50 IFAA Cc1cn2c(C(=O)N3CCC[C@@H](CNS(=O)(=O)Cc4ccccc4)C3)csc2n1 12440055 FEOGHRKPRLEPBK-KRWDZBQOSA-N 432.571 2.676 0 50 IFAA CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OC)=C(C)N=2 22309620 JVLBSOGCQNTBQF-GTVARFKMSA-N 440.546 2.868 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)NCC(c1ccccc1)c1ccccc1 55228354 BKIZNUBHKTYDIC-XMMPIXPASA-N 428.536 2.720 0 50 IFAA COCCCn1c(C)cc(O)c([C@@H](CC(=O)OC)c2cc3ccccc3nc2O)c1=O 824396202 ATRBTQPWQUKVIM-INIZCTEOSA-N 426.469 2.848 0 50 IFAA biogenic CNC(=O)c1noc(CN2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)n1 1857707320 NQOBPPNSWNBXSU-HXUWFJFHSA-N 441.576 2.891 0 50 IFAA Cc1nc(N2CCC3(CC2)CN(Cc2cc4c(cc2Cl)OCO4)C(=O)CCO3)no1 1857732813 IEYHCKNEWAAJMO-UHFFFAOYSA-N 434.880 2.548 0 50 IFAA Cc1ccc(C)c2c(C)c(C(=O)N(C)C3CN(C(=O)C(C)(C)CS(C)(=O)=O)C3)oc12 2325828498 IQLLKLWFTCDLHZ-UHFFFAOYSA-N 434.558 2.712 0 50 IFAA CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NN2CCc3ccc(F)cc32)cc1 2325862194 MQUUIOUTSZQUGE-HXUWFJFHSA-N 445.516 2.665 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCCC[C@H]4c4ccccc4)ccc3C2=O)C(=O)N1 2325895767 JDVQSTOWIHKVRY-LEWJYISDSA-N 431.492 2.815 0 50 IFAA Cc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1C 660580 FCKKHJBZIXVYEL-UHFFFAOYSA-N 442.541 2.506 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2ccccc2Cl)c(F)c1 12711614 KFESRCLXOGAZET-FQEVSTJZSA-N 433.911 2.537 0 50 IFAA COc1cccc(CN2C[C@@H](OCC3CC3)CN(C(=O)C(=O)c3ccccc3)CC2=O)c1 14538685 QENJDZWDYRVUAU-JOCHJYFZSA-N 436.508 2.544 0 50 IFAA COc1cc(C)c(CN2CCc3c(C(=O)N4CCCC4)c(OC)cc(=O)n3CC2)cc1C 14888477 QMDICGJCVOVZNN-UHFFFAOYSA-N 439.556 2.777 0 50 IFAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(C)c(C)c1 16488016 WVNWINKXFZDFJU-UHFFFAOYSA-N 432.542 2.675 0 50 IFAA O=C(COc1ccccc1)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1C[C@H]3CC[C@H]1C3)C2 107017572 PSXPKFIDVNVQDF-ZNMIVQPWSA-N 425.510 2.917 0 50 IFAA Cc1ccc(C2=NO[C@H](CNC(=O)c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)C2)cc1 225744073 HUDDPHCGUJMMKR-OALUTQOASA-N 447.491 2.693 0 50 IFAA CC(=O)O[C@@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@]1(C)[C@@H]3CC[C@H]1C1=CC(=O)OC1 257349864 RXXZRNNOAJTUSW-RIRLLWDZSA-N 446.540 2.626 0 50 IFAA COC(=O)c1cc(=NC(=O)C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)[nH]n1C 2325819095 RIASFAOWIOGETO-GOSISDBHSA-N 432.908 2.658 0 50 IFAA Cn1c(COC(=O)C2CCN(c3cc(O)ncn3)CC2)nc2ccc(Br)cc21 2325824180 SEAWVXCMRHFMRB-UHFFFAOYSA-N 446.305 2.791 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)CN(C)Cc3ccncc3)CC1)OCC2 2356156005 RGXSBQOIKVUOKO-UHFFFAOYSA-N 425.529 2.621 0 50 IFAA COC(=O)c1ccnn1CSc1nc2ccccc2c(=O)n1CCn1cc(Cl)cn1 2740466 BAHFUXBHAXDUFX-UHFFFAOYSA-N 444.904 2.680 0 50 IFAA CN(Cc1cnn(C)c1)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O 11870711 UCNNNWNPTJPZLP-OAQYLSRUSA-N 448.445 2.647 0 50 IFAA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2C[C@@H](C)NC(=S)N2)CC1 12747067 CTMJJJVHBRQPSP-PBHICJAKSA-N 437.993 2.679 0 50 IFAA O=C1N[C@@H](CSCc2ccccc2)C(=O)N2CCN(Cc3ccccc3Cl)C[C@H]12 14543111 YWDMPYSHXYKAKW-VQTJNVASSA-N 429.973 2.785 0 50 IFAA O=c1c2c3c(sc2ncn1CCN1CCOCC1)C[C@@H](NCc1cccc(F)c1)CC3 15001857 YXLZRRYUNKHGTJ-SFHVURJKSA-N 442.560 2.576 0 50 IFAA COc1ccc(CNCc2ccc(C)c(F)c2)cc1OC[C@H](O)CN1CCCN(C)CC1 23373104 SHSHEEHIFINXOD-JOCHJYFZSA-N 445.579 2.810 0 50 IFAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)NCCCc1ccccc1 169752346 ABENRWSQTNCKLG-UHFFFAOYSA-N 434.471 2.543 0 50 IFAA CN(Cc1nnc2ccccn12)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 768518410 FCWDKJKKHBNEAI-OAHLLOKOSA-N 446.433 2.691 0 50 IFAA CC(C)[C@@H](NC(=O)COC(=O)c1cnc2c(c1)ncn2C)c1ccc2c(c1)OCCCO2 1875262034 ZWQWURGPZLTNAX-OAQYLSRUSA-N 438.484 2.800 0 50 IFAA Cc1nnsc1CNC(=O)c1ccc(Cn2cc(-c3cccc(F)c3C(=O)O)nn2)o1 1875357080 ZMHJNPJQCDHBMH-UHFFFAOYSA-N 442.432 2.514 0 50 IFAA C[C@@H](NC(=O)[C@]1(C)CCCCNC1=O)C1CCN(C(=O)c2cc3ncccc3s2)CC1 2325823807 FOZCQAZURHRKHJ-IQMFZBJNSA-N 442.585 2.960 0 50 IFAA O=C(c1cc2ccccc2o1)N1CC[C@@H]2CCN(C(=O)C3(C(=O)NC4CC4)CC3)C[C@@H]2C1 2325825003 YZZRYIXVJOWCMY-AEFFLSMTSA-N 435.524 2.802 0 50 IFAA COCCN1C(=O)C[C@@](CC(=O)N(C)CCc2ccccc2)(c2ccccc2F)C1=O 11980563 KNHAIZCTWUKRFN-DEOSSOPVSA-N 426.488 2.560 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@@H](C)c2ccccc2)CC3)cc1 12279627 ZSOZCULSQJMEMD-LJQANCHMSA-N 433.556 2.921 0 50 IFAA CCN1CCN(CC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(OC)cc2)CC1 19835739 QYGBFBQFKJRWHE-NRFANRHFSA-N 425.577 2.648 0 50 IFAA O=S(=O)(N(c1ccccc1Br)S(=O)(=O)C(F)(F)F)C(F)(F)F 67800039 VAHDQSQAAKXPRA-UHFFFAOYSA-N 436.149 2.955 0 50 IFAA CCC1(CC)CN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)c(C)c2)C(C)C)CC[S@@]1=O 170597530 QDGLQFZEMFPFIU-GDJIYFAZSA-N 442.647 2.756 0 50 IFAA CCOC(=O)c1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)CC2=O)cc1 253412407 QXTHXPYIMNKLNG-QKNQBKEWSA-N 427.545 2.597 0 50 IFAA biogenic Cc1c(C)[n+]([O-])c([C@@H](c2cccnc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263588304 ROPAVARYPGERTI-IBGZPJMESA-N 435.480 2.766 0 50 IFAA C=CC(=O)NCc1cn(-c2cccc(CNC(=O)[C@H]3Cc4cc(C)ccc4S3)c2)nn1 1875383013 BUKPZYARODNHCW-OAQYLSRUSA-N 433.537 2.711 0 50 IFAA COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c(OC)c1 652948 BCMWCTJLMYVZLZ-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 783939 DBHPIQRZOAIQJT-UHFFFAOYSA-N 446.525 2.911 0 50 IFAA O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccc2c(c1)OCO2 1062535 DWMGVUNMPCGNRD-UHFFFAOYSA-N 438.889 2.871 0 50 IFAA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccnc4)c(=O)n32)cc1 8835941 QTVJYKHBVBHLOA-PRWBYUBPSA-N 449.532 2.590 0 50 IFAA O=C(NCc1ccc2c(c1)OCO2)c1cn(C2CC2)cc(C(=O)NC2CCCCC2)c1=O 14992606 KFVJIPDELOCJFN-UHFFFAOYSA-N 437.496 2.904 0 50 IFAA COC(=O)c1ccc(OC)c(CN(C(=O)c2nn(C)cc2C(=O)O)C2CCCCC2)c1 20614370 CTJVRSKXPXYPFW-UHFFFAOYSA-N 429.473 2.889 0 50 IFAA Cc1ccc(C(=O)CSc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)cc1 170624399 ZIOQOOXZSSZYLC-UHFFFAOYSA-N 434.521 2.765 0 50 IFAA Cc1ccc(Nc2nc(N3CCNCC3)nc(N3CCN(c4ccccc4)CC3)n2)cc1 214082279 CLQAYJYITKYDET-UHFFFAOYSA-N 430.560 2.660 0 50 IFAA O=C([C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 252383380 RDMNATBELOOMFB-MXBUBSDBSA-N 434.602 2.925 0 50 IFAA Cc1noc(C)c1NC(=O)c1cccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)c1 408525063 JPPIVMLAYAKYIG-UHFFFAOYSA-N 429.502 2.835 0 50 IFAA O=C(CNC(=O)c1cc(Cl)ccn1)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 1317889234 HJNUMHMMCBGTQQ-UHFFFAOYSA-N 431.279 2.967 0 50 IFAA CSCC(=O)N1C[C@@H]2CN(C(=O)c3scc4c3CCCC4)C[C@]2(CCC(=O)O)C1 1772804067 FEDPUSHQCHTQTK-VFNWGFHPSA-N 436.599 2.755 0 50 IFAA CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O 3938686 AHJRHEGDXFFMBM-UHFFFAOYSA-N 447.543 2.966 0 50 IFAA fda COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccc(F)c1)CC2 14532706 AADCOIJCIPBZIY-UHFFFAOYSA-N 426.492 2.666 0 50 IFAA C[C@H]1C(=O)N2CCCc3cc(S(=O)(=O)N4CCN(c5ccccc5F)CC4)cc1c32 101078944 KOXRFDJSBGMYDY-OAHLLOKOSA-N 429.517 2.733 0 50 IFAA O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 169619903 GBINUSMYWOVERC-MUCBEFDLSA-N 427.882 2.518 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(N)=O)cc1Br 170602155 KTISMAFRINSPJG-UHFFFAOYSA-N 446.710 2.961 0 50 IFAA COCc1c(C(=O)N(C)CCN(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 299794100 JABCVBVDVMYUQO-UHFFFAOYSA-N 434.544 2.598 0 50 IFAA CCN1CCN(CCOc2ccccc2CN2CCC3(CC2)C[C@@](C)(O)CCO3)CC1 1704335750 RDQRAJQIBMUHGH-DEOSSOPVSA-N 431.621 2.599 0 50 IFAA COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)COc2cccc(C(N)=O)c2)c1 1875253175 KTVDSCNPPYEAFG-QHCPKHFHSA-N 434.492 2.935 0 50 IFAA CN(CCOc1ccccc1F)S(=O)(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1875362618 NESXAGCWGYQPTQ-GOSISDBHSA-N 436.505 2.877 0 50 IFAA O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N1CCOCC1 824136 TVGBIPXDYOHKPB-UHFFFAOYSA-N 439.331 2.503 0 50 IFAA CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)Nc1nccs1 4196604 CPNPJAHFFILTBN-UHFFFAOYSA-N 432.531 2.675 0 50 IFAA CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2)s1 9405048 HWXAREXAEAWBRZ-UHFFFAOYSA-N 448.526 2.779 0 50 IFAA O=C(c1ccc(N2CCC(NCc3ccc4c(c3)OCO4)CC2)cc1)N1CCC[C@@H](O)C1 12244990 AFYKKDZGUYPEFE-JOCHJYFZSA-N 437.540 2.771 0 50 IFAA CN(Cc1cnccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 12588072 YYYWLZNKBPKZJQ-HSZRJFAPSA-N 445.523 2.618 0 50 IFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc(C)n2)n1 67604692 HUFOXKLLVBYFTC-UHFFFAOYSA-N 429.528 2.960 0 50 IFAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccc(F)c(F)c1 169752373 SBXFNOQKKMTHDB-UHFFFAOYSA-N 428.370 2.711 0 50 IFAA CCOc1ccccc1CNC(=O)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 169779271 VXPSOMBNAZDBJI-UHFFFAOYSA-N 437.496 2.616 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C)C[C@H]3c3ccccc3)C2)s1 248160334 XDVVXMGOSHQEGQ-PMACEKPBSA-N 447.626 2.973 0 50 IFAA COc1ccc([C@@H](CC(=O)NCc2cccnc2)c2c(O)nc3ccccn3c2=O)cc1 2049512058 YDMDJGOXLBAVKU-LJQANCHMSA-N 430.464 2.642 0 50 IFAA COc1cccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccccc2)c1 971939 HGFCFTIDNTZQMU-UHFFFAOYSA-N 439.493 2.628 0 50 IFAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccccc1 1079881 KOGUXTYBODYPJS-UHFFFAOYSA-N 425.510 2.910 0 50 IFAA Cn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1Cl 2865521 ZAMFUQNEXBQNLA-UHFFFAOYSA-N 437.934 2.514 0 50 IFAA COCc1c(C(=O)NCCc2ccncc2)cnn1-c1nccc(-c2ccccc2OC)n1 11786342 SYZHJCNJOJMWDU-UHFFFAOYSA-N 444.495 2.852 0 50 IFAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)CN2CCOC2=O)CC1 12303579 PXTSZKAFZCIAPI-QFIPXVFZSA-N 429.561 2.667 0 50 IFAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCCCc1ccncc1)C2 14541726 FDSQEAQYUAENEX-IBGZPJMESA-N 427.618 2.957 0 50 IFAA COc1ccc(CC(=O)NC[C@@H]2Cc3cccc(-c4cncc(C(N)=O)c4)c3O2)cc1OC 15006407 AAOHVZLNSAVCRW-IBGZPJMESA-N 447.491 2.527 0 50 IFAA CC[C@H](C)OC(=O)c1c(NC(=O)Cn2cnc3c(cnn3C)c2=O)sc2c1CCCC2 20607114 ZYOXCTQFSOLTLW-LBPRGKRZSA-N 443.529 2.664 0 50 IFAA COc1cc2nc(CSCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)nc(O)c2cc1OC 238881492 AEHVKFKQAHUQLW-JOCQHMNTSA-N 449.529 2.593 0 50 IFAA Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CC1 432453438 JBOYJULOFVWWNR-KRWDZBQOSA-N 442.545 2.770 0 50 IFAA CC(=O)c1cn(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c(=O)n(C)c1=O 466986872 ZTXCCOZQXHKJKE-UHFFFAOYSA-N 427.844 2.834 0 50 IFAA O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 470589473 ZTQMHJXQUIPSTE-UHFFFAOYSA-N 439.470 2.720 0 50 IFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN([C@H]2CCN(c3ccccc3)C2)CC1 2100545340 PREVRGUAOHZEAP-FQEVSTJZSA-N 435.572 2.578 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2cnc3ccc(F)cc3c2)CC1=O 2325819771 PMGIJXHKTXWZTQ-YOEHRIQHSA-N 441.484 2.789 0 50 IFAA Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 9184848 VTBJNHLEJATXEZ-UHFFFAOYSA-N 445.483 2.933 0 50 IFAA C[C@H](c1ccon1)N(C)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12454801 RGXUPAJISKQQIQ-CYBMUJFWSA-N 441.937 2.964 0 50 IFAA COc1ccc([C@@]2(CC(=O)N(C)C3CCOCC3)CC(=O)N(C3CCCC3)C2=O)cc1 12470640 PVCUUEZCEXVVPK-XMMPIXPASA-N 428.529 2.662 0 50 IFAA O=C(C1CCN(c2nc3nonc3nc2NCc2cccs2)CC1)N1CCCCC1 14950332 DCFMKBMSGLWGGY-UHFFFAOYSA-N 427.534 2.915 0 50 IFAA Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)nn1C 14970068 YPEHYMCJJMNOBI-JOCHJYFZSA-N 437.588 2.705 0 50 IFAA CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 53537260 VHSYKTWXCYMHSE-IBGZPJMESA-N 443.910 2.705 0 50 IFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 252549074 QRVYHFSDAUXEID-JNKLARPZSA-N 432.524 2.559 0 50 IFAA COc1ccc(-c2noc(Cn3ccn4nc(-c5ccccc5)c(CO)c4c3=O)n2)cc1 263618861 VVTHDGRBHCRPDJ-UHFFFAOYSA-N 429.436 2.762 0 50 IFAA Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)c3c(C)noc3n2)cc1 465385280 DLLGJYVEENBXIF-NPMXOYFQSA-N 433.468 2.615 0 50 IFAA COc1cc2c(cc1CN1CC[C@](Cc3ccccc3)(C(=O)O)[C@H](O)C1)OCCCO2 1704325454 LXLSCKROCLCNDV-ISKFKSNPSA-N 427.497 2.737 0 50 IFAA NCc1cccc(CNc2ncnc3c(N4CCN(Cc5ccccc5)CC4)ncnc23)c1 1772768801 DZDNGSNKWIORRZ-UHFFFAOYSA-N 440.555 2.813 0 50 IFAA COC(=O)c1cc(NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc23)cn1Cc1ccccc1 1875261652 FZFGPONOAUKSBK-HNNXBMFYSA-N 445.479 2.956 0 50 IFAA C[C@@H](NC(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O)C(C)(C)c1ccccc1 2325886622 CTQKFHYBURZLRL-QRWLVFNGSA-N 433.508 2.544 0 50 IFAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)O[C@H]4C[C@H](c5ccccc5)C4)cc3C2=O)C(=O)N1 2325900681 FSXQLPAVMPZFCD-ZJOUEHCJSA-N 447.491 2.620 0 50 IFAA COc1ccc(CC(=O)NCc2nnc(SCC(=O)c3ccc(OC)cc3)n2C)cc1 1061225 QJKCHXVOPQUUBU-UHFFFAOYSA-N 440.525 2.666 0 50 IFAA O=C(NCc1nnc2n1CCN(C(=O)c1cccc(-c3ccccc3F)c1)CC2)C1CC1 11995851 HCIPOGZJQFOEOZ-UHFFFAOYSA-N 433.487 2.809 0 50 IFAA CCCCN(C)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2nonc2C)C3=O)C1 12470121 HLZQKVDRELTXMM-MRXNPFEDSA-N 439.516 2.649 0 50 IFAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NCc4ccc(C(C)(C)C)cc4)CN3C2=O)cc1 14742658 JVTHFLGOMHWXRQ-PMVMPFDFSA-N 435.568 2.793 0 50 IFAA CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC 19894133 JKKTTWYHKIQCJE-PMACEKPBSA-N 428.485 2.688 0 50 IFAA Cc1ccccc1OC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2)CC1 55100049 RKTLWFWAJSSQHQ-QFIPXVFZSA-N 439.531 2.895 0 50 IFAA O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@H]1COCCN1CC(F)(F)F 239760989 CJBNZFGRTWQWCB-HZPDHXFCSA-N 437.865 2.995 0 50 IFAA COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 245242142 CKQHOCFSFLTMIJ-RTXPOLOASA-N 437.883 2.780 0 50 IFAA CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@H]1O 253498533 FYTGFTLKWMSTHB-DTILQVPTSA-N 425.437 2.516 0 50 IFAA CN(C(=O)c1cccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)c1)c1ccccn1 408525257 RZDZYINXNOHBIF-UHFFFAOYSA-N 425.514 2.650 0 50 IFAA Cc1[nH]nc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)c1Cl 1857680642 LWZCHFRRWITVAG-GOSISDBHSA-N 436.915 2.781 0 50 IFAA O=C(O)COc1ccc(NC(=O)COc2ccc(I)cc2)cc1 1110383 PAHZHCLLTMRCNP-UHFFFAOYSA-N 427.194 2.772 0 50 IFAA O=C1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC(=O)N1CCc1ccccc1 1204662 BPRWKPOCIMCGOL-UHFFFAOYSA-N 427.309 2.596 0 50 IFAA COc1ccc(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)c(C)c1 11873814 BCOVBXTUARXATQ-CQSZACIVSA-N 425.938 2.983 0 50 IFAA O=C(Nc1ccnn1C1CCN(C(=O)c2cscn2)CC1)c1ccc2c(c1)OCO2 12430077 SJBJRLVUKWYPLU-UHFFFAOYSA-N 425.470 2.798 0 50 IFAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)CCn2nccc2C)C1 12432579 FXTCDPRUQIMQKK-JOCHJYFZSA-N 441.620 2.893 0 50 IFAA COc1ccccc1CCN[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 14540014 RVXGMBTUXMIBPS-HXUWFJFHSA-N 440.588 2.710 0 50 IFAA CN(C)CC(C)(C)CNC(=O)c1cn(CC2CCCCC2)cc(C(=O)NC2CC2)c1=O 14993839 KDEGIOGYYSULEL-UHFFFAOYSA-N 430.593 2.638 0 50 IFAA CCN(CC)CCNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1COC 15005947 XGPKDVMRKCWXDL-UHFFFAOYSA-N 426.496 2.686 0 50 IFAA COc1ccc(/C=C(/NC(=O)c2ccc(Br)cc2)C(=O)NCCCO)cc1 16115317 LKCMKNWCAUKFSS-QGOAFFKASA-N 433.302 2.727 0 50 IFAA CN1CCCN(C(=O)c2nc3sccn3c2CNC[C@H]2OCCc3ccccc32)CC1 20211385 PECNFCSSJSAMGW-HXUWFJFHSA-N 439.585 2.577 0 50 IFAA O=C(CC[C@@H]1CCCN(C(=O)CCc2cnccn2)C1)N1CCN(Cc2ccccc2)CC1 20539631 DYLWYXUYHXJMBB-QHCPKHFHSA-N 449.599 2.772 0 50 IFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCC1(N3CCCCC3)CCCC1)C2 32500610 LKZYMBXMOXWZJV-IBGZPJMESA-N 445.677 2.855 0 50 IFAA O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc2ccccc2c1 40896792 FAIFAFUXFFWVNQ-UHFFFAOYSA-N 428.536 2.998 0 50 IFAA in-vitro O=C(C[C@H]1Cc2c(n(Cc3ccccc3)c(O)nc2=O)NC1=O)Nc1ccc(Cl)cc1 253537551 OQYOVKACCNJONT-CQSZACIVSA-N 438.871 2.790 0 50 IFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2nc(-c3ccccc3)no2)CC1 1857712649 KPLPMQNCMBEWOH-UHFFFAOYSA-N 434.500 2.553 0 50 IFAA CSc1ncc(CN2CCCNC(=O)CC[C@@H](c3ccccc3)CCNC(=O)C2)cn1 1875239973 BRHKKRGAAGQJMZ-HXUWFJFHSA-N 441.601 2.591 0 50 IFAA CN(C)[S@](C)(=O)=NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 1875319460 CZSNRCSVFHYCOQ-WJOKGBTCSA-N 435.513 2.651 0 50 IFAA O=C(Cc1ccccc1C(=O)N1CCn2c(nnc2-c2ccccn2)C1)Nc1cccnc1 1875351644 DDUNZKATBOKSSH-UHFFFAOYSA-N 439.479 2.572 0 50 IFAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)C1 2325889549 VZQFQPYDWKRFKJ-SFHVURJKSA-N 433.574 2.923 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(Cl)cc2)cc1 660558 KNZUXAHTPAWYTF-GOSISDBHSA-N 438.933 2.839 0 50 IFAA CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OCC)[C@@H]1c1ccc(Cl)cc1 1076509 RWZPGZUNGRUYDQ-GXFFZTMASA-N 436.917 2.909 0 50 IFAA COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(OC)ccc1OC 1131216 IFTHGUARLBZWAA-PDGQHHTCSA-N 442.493 2.860 0 50 IFAA COC(=O)c1sc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C(N)=O)c1C 2752099 PBCUINCFWJLNRW-UHFFFAOYSA-N 430.408 2.673 0 50 IFAA O=C(c1ccc(N2CCOCC2)cc1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2cccnc2)C1 11785724 VFICGULRIMPEEZ-GGAORHGYSA-N 434.540 2.572 0 50 IFAA O=C1CC[C@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)CN1Cc1ccc(Cl)cc1 11934170 MVUCUHVKXWJKMV-SFHVURJKSA-N 425.916 2.954 0 50 IFAA COc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(C)c1C 14882161 PYMNXVMVBUCKAM-UHFFFAOYSA-N 448.571 2.606 0 50 IFAA CCc1cccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 15789437 SGTHXMAORHKHLA-UHFFFAOYSA-N 443.569 2.809 0 50 IFAA O=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613406 CDMWDCVNRATKCG-UHFFFAOYSA-N 425.913 2.732 0 50 IFAA C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H]2CCCC[C@H]21 229578032 IOGWZIOWWQYFPJ-NEWSRXKRSA-N 436.574 2.944 0 50 IFAA CC(C)Oc1ccc(-c2noc(CNC(=O)C[C@H]3NC(=O)c4ccccc4N=C3O)n2)cc1 252570410 WRRQELWYERUHMA-GOSISDBHSA-N 449.467 2.930 0 50 IFAA Cc1csc([C@](O)(CC(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)C(F)(F)F)n1 771676555 LYFOPWGYJIGMEC-LJQANCHMSA-N 448.555 2.609 0 50 IFAA Cc1nnnn1Cc1ccc(C(=O)N2CCCN(c3nc4ccccc4s3)CC2)cc1 1506421948 WUHOPCUAQHKSMP-UHFFFAOYSA-N 433.541 2.992 0 50 IFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC3(CCC(=O)NC3)CC2)ccc1F 1704325397 JCVWQQVYWYXXCS-UHFFFAOYSA-N 430.480 2.688 0 50 IFAA Cc1nc(Br)sc1C(=O)N1C[C@H]2CC(NC(=O)c3cncs3)C[C@@H]2C1 2325876567 ZRBHAZRESWVEDZ-NXEZZACHSA-N 441.376 2.951 0 50 IFAA C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCOC2(CCS(=O)(=NC(=O)Cc3ccc(F)cc3)CC2)C1 2332238235 ITJJIESRIHZJCU-BGRHLZFBSA-N 436.549 2.847 0 50 IFAA COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc1 1049582 NIJNFADUQAGAHW-KRWDZBQOSA-N 446.525 2.830 0 50 IFAA COC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)CC1 12582691 QMYZIMISBNWPLA-HSZRJFAPSA-N 437.540 2.807 0 50 IFAA CC(C)C(=O)N1CCc2c(c(C(=O)NCc3ccccn3)nn2CCc2ccccc2)C1 14538836 OJUNCJOIEUHAFW-UHFFFAOYSA-N 431.540 2.992 0 50 IFAA CN(C)CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)CN(Cc2ccncc2)C1 14745809 WTBHNEVOOFVWRC-XUZZJYLKSA-N 436.600 2.765 0 50 IFAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccsc1)CC2 14748908 RUOIMHRMNREXFD-UHFFFAOYSA-N 428.558 2.979 0 50 IFAA COc1cccc(CCN[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 14752176 UGZQLSCNWWXCAS-HXUWFJFHSA-N 440.588 2.710 0 50 IFAA O=C1C[C@@](CC(=O)N2CCCC[C@H]2CO)(c2cccc(C(F)(F)F)c2)C(=O)N1C1CC1 14987402 CWLIKOVXGWJKSI-UWJYYQICSA-N 438.446 2.628 0 50 IFAA O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 67621257 JWNOBBMZPAAKCH-UHFFFAOYSA-N 446.536 2.840 0 50 IFAA Cc1cccn2cc(CC(=O)N3CCN([C@@H]4CCCN(Cc5ccccc5)C4=O)CC3)nc12 170593335 ZSKLCLWCXHEQRS-HSZRJFAPSA-N 445.567 2.521 0 50 IFAA COc1ccc2cnn(CC(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)c(=O)c2c1OC 223224050 AIUNFFBNWYAMPV-HXUWFJFHSA-N 435.484 2.804 0 50 IFAA O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@H](CO)c1cccc(Cl)c1F 225610565 PXRQFZGFLDGYIV-OAHLLOKOSA-N 435.304 2.651 0 50 IFAA C[C@H]1CN(C(=O)c2cc3ccccc3c(=O)o2)CCN1C(=O)c1cc2ccccc2c(=O)o1 499154907 XFLKGYXOVMCTIA-HNNXBMFYSA-N 444.443 2.886 0 50 IFAA NC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)Nc3ccccc3N3CCOCC3)nc12 1875350523 QLLXAZJAWOVIDD-UHFFFAOYSA-N 442.479 2.584 0 50 IFAA Cc1nn(C)cc1CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 2325825318 MDPYMRXAWFDHPA-VQIMIIECSA-N 447.461 2.962 0 50 IFAA COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c(OC)c1 1434908 JZEVVUQNRJUGSU-UHFFFAOYSA-N 427.482 2.933 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8430356 LLVXHVYLNNWMIL-UHFFFAOYSA-N 432.586 2.779 0 50 IFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)N(CC=C(C)C)C2)nn1 12035253 WLWWKMSJKIYKNB-ICSRJNTNSA-N 445.951 2.659 0 50 IFAA O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 13847915 IMSNPBPYIBCKND-QAPCUYQASA-N 425.460 2.726 0 50 IFAA C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1c(F)ccc(F)c1F)CC2 20202166 UEBYLQPHIVQJOK-CYBMUJFWSA-N 430.434 2.640 0 50 IFAA COc1ccc(CNCc2cccc(Cl)c2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 20905451 LZIXFHAYWRIEMM-NRFANRHFSA-N 433.980 2.626 0 50 IFAA CC(C)N1CCC(N2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)CC1 22913868 RDFIFFDQLWHNHH-QHCPKHFHSA-N 429.584 2.957 0 50 IFAA CSc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 33326813 UCGVKRYAILWGST-UHFFFAOYSA-N 428.562 2.698 0 50 IFAA CN(CCOc1ccccc1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 55132277 UWCGAWCPBZEFQN-FQEVSTJZSA-N 449.473 2.933 0 50 IFAA COc1ccc([C@@H]2CC(=O)Oc3c2c(C)cc2oc(=O)c4c(c32)CCC4)cc1OCC(N)=O 263585572 KFOJFWIKIXUUHJ-INIZCTEOSA-N 449.459 2.904 0 50 IFAA biogenic CC(C)=CC(=O)N1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N([C@@H]3CCOC3)C2=O)CC1 299765921 ZOYKSLOISQDFIU-HYBUGGRVSA-N 443.519 2.653 0 50 IFAA CN(C)Cc1ccc([C@H]2CCCCN2C(=O)Cc2nc3nc4c(c(=O)n3[nH]2)CCCC4)cc1 1506421885 NUJZRTUINQPRQU-OAQYLSRUSA-N 448.571 2.654 0 50 IFAA COC(=O)Cn1cnc2ccc(NCc3ccn(-c4ccc(F)cc4F)n3)cc2c1=O 1875263049 DSGVCNQHOLFARS-UHFFFAOYSA-N 425.395 2.646 0 50 IFAA Cc1c(Cl)cccc1-n1cc(CCC2(O)CN(C(=O)c3cccc4[nH]ncc34)C2)nn1 1875338189 PJSWYJATYXLLCC-UHFFFAOYSA-N 436.903 2.925 0 50 IFAA NC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)Nc3nc4cc(F)c(F)cc4[nH]3)nc12 1875350572 SBEMNEAXTXZDFS-UHFFFAOYSA-N 433.378 2.902 0 50 IFAA C[C@]1(CNC(=O)c2ccnc3[nH]ncc23)CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 1875360303 FBFZHURPFQUQMT-HSZRJFAPSA-N 429.484 2.630 0 50 IFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(OC)c2OC)c(OC)c1 779987 HAELFPIETVGVGB-IBGZPJMESA-N 427.457 2.988 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(C)cc2)cc1 6129409 KSMRVFYWOXNFSK-UHFFFAOYSA-N 425.510 2.910 0 50 IFAA COc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2 9045134 COKJVVKMQMFDGJ-ZDUSSCGKSA-N 448.566 2.805 0 50 IFAA CC[C@@H](C)CC(=O)N1CCC([C@@]2(Cc3cccc(F)c3)NC(=O)N(CCOC)C2=O)CC1 12099207 QYEIOXKECANWFI-MZNJEOGPSA-N 447.551 2.980 0 50 IFAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)CCn1cccn1 12587212 DTJNCAJQSNHXED-UHFFFAOYSA-N 437.632 2.933 0 50 IFAA CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)C1CCOCC1 12716380 SDHCPLQXLROUMX-HSZRJFAPSA-N 437.540 2.807 0 50 IFAA Cc1cc(C(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)nc(N)n1 12761697 XJOKYWGKGNUMEG-HSZRJFAPSA-N 449.599 2.868 0 50 IFAA Cc1cc(S(=O)(=O)N2CCC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)c(C)s1 15071930 ZTLOVOBRLGJRBU-GOSISDBHSA-N 442.628 2.885 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)NCc1ccc(C(F)(F)F)cc1F 19114413 SJYXPDAAZVNTKV-IBGZPJMESA-N 437.437 2.894 0 50 IFAA CN(Cc1nc2ccccc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 53537553 SHNZUMPJXITYRE-LJQANCHMSA-N 443.910 2.705 0 50 IFAA COc1ccccc1N1CCN([C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 61969838 OSYINLFEOJAFBQ-FQEVSTJZSA-N 429.586 2.979 0 50 IFAA O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(c3ncnc4[nH]ccc34)CC2)C1 71614937 JIQVPHZHTUUHPS-HXUWFJFHSA-N 432.572 2.998 0 50 IFAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 230201553 APUXMZSGHJUBPT-VKDGWMQASA-N 449.894 2.974 0 50 IFAA Nc1nc(COC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2Cl)nc2ccccc12 734901029 GEIATHOSFTVFKB-UHFFFAOYSA-N 427.269 2.523 0 50 IFAA COc1ccc([C@H](CC(=O)NCC(=O)Nc2ccccn2)c2cc3c(cc2O)OCO3)cc1 824655253 YQQVDUNGPFWLNG-KRWDZBQOSA-N 449.463 2.801 0 50 IFAA biogenic COCc1cc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)[nH]n1 1506405893 CRJQZDSWVSRMFN-UHFFFAOYSA-N 435.453 2.813 0 50 IFAA Cn1cc(C(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3C(=O)C2)ccc1=O 1857688946 SLPCWGYUNAXJBZ-NRFANRHFSA-N 437.540 2.624 0 50 IFAA CC1(C)CCCC[C@H]1COC(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325886787 JBLKMAGTNVDBHU-HKUYNNGSSA-N 441.528 2.890 0 50 IFAA CC1(C)Cc2ccccc2N(C(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325896475 ZRENAKOMXJXDCD-HXUWFJFHSA-N 431.492 2.677 0 50 IFAA Cn1cc(Br)c(C(=O)N2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)n1 999894 JIIAJNNAXJIDKO-QPJJXVBHSA-N 437.725 2.834 0 50 IFAA O=S(=O)(NC[C@@H]1CCCN(Cc2cccc3nonc23)C1)c1cccc2cccnc12 11879313 PKJOVCZDCRFLSC-INIZCTEOSA-N 437.525 2.962 0 50 IFAA CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NC[C@H]2CCCN(C)C2)c1=O 12192918 IUOVEBZPIUZRJP-GOSISDBHSA-N 430.593 2.811 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@H]1c1ccc(Cl)cc1 13282838 ZCCLMHZHMGAASK-GTVARFKMSA-N 439.924 2.847 0 50 IFAA COc1cccc(C[C@@H](C2CCN(C(=O)Cn3ccc(C)n3)CC2)N(C)C(=O)C2CC2)c1 14883153 BMUKBOQKWOBAII-QHCPKHFHSA-N 438.572 2.918 0 50 IFAA CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)OC 25691966 YAMQCWSSFXUFGP-CZAAIQMYSA-N 442.512 2.934 0 50 IFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(NC(C)=O)c4)ccn3n2)cc1 169775841 LMBDGUZDKUWHCE-UHFFFAOYSA-N 445.479 2.560 0 50 IFAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C5CCCCC5)CC4)c3CO2)cc1 263616783 KMZCSNBQFMSDEQ-OAQYLSRUSA-N 425.533 2.649 0 50 IFAA NC1(CCNC(=O)N2CC[C@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)CC1 952894534 RMKARSIVXBZLJC-SFHVURJKSA-N 427.402 2.973 0 50 IFAA COc1ccc(NC(=O)c2cccnc2N2CCN(C(=O)c3ccco3)CC2)c(OC)c1 1529181761 VXXXEKKQNUFLPI-UHFFFAOYSA-N 436.468 2.907 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cc(C)c(C)n(C)c3=O)CC1)OCC2 1704342786 QAKWDWHIYKIBQO-UHFFFAOYSA-N 426.513 2.724 0 50 IFAA Cc1[nH]nc(Cl)c1C(=O)NC[C@@H]1CN(C(=O)c2cncc(O)c2)Cc2ccccc21 1875331419 ZIYNFFMFNWHHOI-OAHLLOKOSA-N 425.876 2.642 0 50 IFAA Cc1nc(O)cc(C(=O)N2CC[C@@H]([C@H]3CCCN3C(=O)c3ccc(Cl)c(O)c3)C2)n1 1875361207 QCZPXPZREWSSSJ-RHSMWYFYSA-N 430.892 2.617 0 50 IFAA COc1cc(OC)c2cc(C(=O)N3C[C@H](C[C@@H]4COCC(=O)N4)c4ccccc43)[nH]c2c1 2325826708 JYWUOZLCVAHLSH-LSDHHAIUSA-N 435.480 2.834 0 50 IFAA COc1ccc(Cc2c(O)nc(SCC(=O)Nc3ccc(OC)cc3)[nH]c2=O)cc1 781863 XSEVFZLCIQZERI-UHFFFAOYSA-N 427.482 2.814 0 50 IFAA COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2C)cc1 2875278 DFTJINLNRODHJU-UHFFFAOYSA-N 426.498 2.737 0 50 IFAA CCC[C@]1(C2CCN(C(=O)c3cccc(F)c3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 11783138 XHIVVLNTZSVKJR-WMZHIEFXSA-N 431.508 2.948 0 50 IFAA O=c1[nH]nc(CNCc2cccc(OC[C@H](O)CN3CCCCCC3)c2)c2ccccc12 11839210 LHQDSLZEANSLSI-HXUWFJFHSA-N 436.556 2.829 0 50 IFAA COC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)CC1 12582687 QMYZIMISBNWPLA-QHCPKHFHSA-N 437.540 2.807 0 50 IFAA COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C 14987631 JZIIIPWFEYRFHG-LJQANCHMSA-N 449.555 2.910 0 50 IFAA CC(C)N1CCC(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]2CCO)CC1 23374875 CACBTUJUOPDWNL-QHCPKHFHSA-N 429.584 2.957 0 50 IFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4c(ccn4C)c3)C2=O)cc1OC 206244547 XEYOSKGWKNBWAO-QGZVFWFLSA-N 436.468 2.645 0 50 IFAA Nc1c(O)nc(O)nc1C(=O)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 469392086 YQFYLHRUNNPSKK-LJQANCHMSA-N 439.903 2.671 0 50 IFAA Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N)C(C)(C)C)cc1 820918922 JOSFQWNOUSNZBP-UUZHKXTQSA-N 444.601 2.631 0 50 IFAA CCN1CCN(CCOc2ccccc2CN2CCC3(CC2)C[C@](C)(O)CCO3)CC1 1704335759 RDQRAJQIBMUHGH-XMMPIXPASA-N 431.621 2.599 0 50 IFAA CCc1nc(C(=O)Nc2ccc(CN3CCN(C4CC4)CC3)cn2)nn1-c1ccccc1F 1875264924 NCTSZVOFJZOXET-UHFFFAOYSA-N 449.534 2.896 0 50 IFAA CC(C)(C)C(=O)N[C@H](n1cnc2c(N3CCOCC3)ncnc21)C(Cl)(Cl)Cl 799218 LJAKCUTXRQDGOG-CYBMUJFWSA-N 435.743 2.694 0 50 IFAA O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(N2CCOCC2)c2nonc12 2781275 ZKOMPMXGURMAEL-UHFFFAOYSA-N 436.394 2.791 0 50 IFAA Cc1nn(C)cc1S(=O)(=O)Nc1cnn(COc2ccc(Br)cc2)c1 2804033 UAJJHGSRFRVNMP-UHFFFAOYSA-N 426.296 2.525 0 50 IFAA CCN1C(=O)C[C@H](C(=O)OC)C12CCN(C(=O)c1csc(Cc3ccccc3)n1)CC2 11786465 UQQIAYGQAIIZNB-QGZVFWFLSA-N 441.553 2.750 0 50 IFAA COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 11813910 FZAAXFAVKLFWGG-CQSZACIVSA-N 432.908 2.713 0 50 IFAA CC1(C)[C@H]2CC=C(CN3CCc4nnc(CNC(=O)CCc5cccnc5)n4CC3)[C@@H]1C2 11997535 IGSASIIGJXPTLE-SFTDATJTSA-N 434.588 2.773 0 50 IFAA Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(CCCO)cc2)cc1 12461992 PXMSGVZPWXAYBK-UHFFFAOYSA-N 443.507 2.576 0 50 IFAA CCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1cnn3cccnc13)CC2 14532615 XMZLKANPNAMTSB-UHFFFAOYSA-N 444.495 2.544 0 50 IFAA Cc1nc(CN2C[C@H](OCc3ccccn3)CN(C(=O)[C@@H]3CC=CCC3)CC2=O)cs1 14541667 FBJDRBFETQRYLF-NQIIRXRSSA-N 440.569 2.959 0 50 IFAA COCCNC(=O)c1ccc(OC2CCN([C@@H](C)CCC(=O)OC)CC2)c(Cl)c1 14960754 CFTWYYRCGWWZHT-HNNXBMFYSA-N 426.941 2.901 0 50 IFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N2CCCN(C=O)CC2)c1 15073258 RLWQTLFTCFPCJL-UHFFFAOYSA-N 429.561 2.785 0 50 IFAA CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)O)CC2)cc1 17100610 OQSZMBDQTJERRX-RTBURBONSA-N 436.574 2.708 0 50 IFAA O=C(c1ccccc1)N1CCc2c(c(C(=O)N3CCOCC3)nn2CCc2ccccc2)C1 19607478 NUKREXVFFVVCHF-UHFFFAOYSA-N 444.535 2.797 0 50 IFAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCC(C)CC4)CC3)c2c1 22752831 GCDMXMNGOCMWHZ-UHFFFAOYSA-N 427.545 2.568 0 50 IFAA biogenic,in-vitro CCN(CC)C(=O)C1CCN(C(=O)c2ccc(I)c(O)c2)CC1 170595338 RAOIDMMHLJOCFH-UHFFFAOYSA-N 430.286 2.717 0 50 IFAA COc1ccc(C)cc1CN1CCN(CN2C(=O)N[C@]3(C2=O)[C@@H](C)CCC[C@H]3C)CC1 252457617 XDFPZLPFHSBSES-HROJSSOGSA-N 428.577 2.825 0 50 IFAA O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 263585067 DTPJARADYYAORN-MJGOQNOKSA-N 438.487 2.807 0 50 IFAA biogenic Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@@H](O)c3ccncc3)c2)cc1 750473341 ZFSUDBYNVMXANG-OAQYLSRUSA-N 425.510 2.679 0 50 IFAA Cc1nc(N2CCC3(CC2)CN(Cc2cscn2)C(=O)CCO3)nc2c1CCCC2 1704337669 YCGTWACJALUHOV-UHFFFAOYSA-N 427.574 2.908 0 50 IFAA C[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccsc1C(=O)NC[C@H]1CCCCN1 1857532583 RQWGDVWYLRRIKV-MAUKXSAKSA-N 433.599 2.756 0 50 IFAA C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2)C1)c1cn(-c2ccccc2)nn1 1875261722 DEZVIDUYMJWFAL-MOPGFXCFSA-N 432.528 2.795 0 50 IFAA Cc1nn2c(nc1=O)-c1ccccc1N1C(=O)CC[C@@]12CCC(=O)Nc1ccc(F)cc1 1875306830 DAMZLMMWVYZTBA-QHCPKHFHSA-N 433.443 2.965 0 50 IFAA Cc1cccc(Cn2[nH]cc/c2=N\C(=O)COC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 2325740176 FNSWBBNABKCEMH-PNDUQPBNSA-N 446.507 2.735 0 50 IFAA CO[C@@H]1CCC[C@H]1C(=O)N1CCC([S@](C)(=O)=NC(=O)c2cnn(C(C)(C)C)c2)CC1 2332239187 ZQFWCGMDPULTFA-YUWQIPRYSA-N 438.594 2.682 0 50 IFAA COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 783867 ZXVDAIYAVPNMGX-UHFFFAOYSA-N 432.498 2.521 0 50 IFAA CCOC(=O)c1sc(NC(=O)Cn2cnc3ccccc3c2=O)c(C(=O)OCC)c1C 1071716 HNGFLUQMRMKJEZ-UHFFFAOYSA-N 443.481 2.759 0 50 IFAA CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2cccc(Br)c2)c2ccccc21 1170369 SLIJTAWYWYBXCR-FQEVSTJZSA-N 432.270 2.819 0 50 IFAA CC(C)Oc1ccc(/C=C(/NC(=O)c2ccc(Br)o2)C(=O)NCCO)cc1 8935120 FYQYKCMLCPINFD-RVDMUPIBSA-N 437.290 2.709 0 50 IFAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1ccc(F)c(F)c1)CC2 11813501 LIPVOHATTJPYSZ-NBUZRDOWSA-N 430.455 2.957 0 50 IFAA CSCCC(=O)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 12204332 YUCKIFPAYPGTDR-UHFFFAOYSA-N 427.998 2.754 0 50 IFAA COc1ccc(CCNC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 16361135 SILSMZCHSZMEFN-UHFFFAOYSA-N 443.569 2.667 0 50 IFAA O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2 19745475 ZFHYYBGQFYMYDO-UHFFFAOYSA-N 446.530 2.858 0 50 IFAA O=C(NCC1(c2cccc(F)c2F)CCCC1)C(=O)NCC1(N2CCCC2)CCOCC1 2325724772 BOHNBULWOVBOGF-UHFFFAOYSA-N 449.542 2.654 0 50 IFAA O=C1CSc2ncnc(N3CCC(O)(Cc4cccc(Br)c4)CC3)c2N1 2325825358 NJPFOVUCKMJKMX-UHFFFAOYSA-N 435.347 2.857 0 50 IFAA COC(=O)c1c(NC(=O)c2c(I)cnn2C)sc2c1CCC2 2778211 OLKZAGYZZVJSDH-UHFFFAOYSA-N 431.255 2.614 0 50 IFAA CN(C)CCNC(=O)c1ccc(OC2CCN(Cc3ccc(CO)o3)CC2)c(Cl)c1 11753921 YWZCYJMERSXEOY-UHFFFAOYSA-N 435.952 2.760 0 50 IFAA COCCN1C(=O)C[C@@](CC(=O)N(C)Cc2ccc(C)cc2)(c2ccccc2OC)C1=O 11787912 UCDOWCAILCJIRB-VWLOTQADSA-N 438.524 2.695 0 50 IFAA COCc1ccc(C(=O)NCc2nnc3n2CCN(CC[C@H](C)c2ccccc2)CC3)o1 12244496 XYLAQBSIASZYFA-SFHVURJKSA-N 437.544 2.999 0 50 IFAA COc1cccc(CC(=O)N2CC(=O)N(CC(C)C)C[C@H](OCc3cccnc3)C2)c1 14537865 JWNIBVUTMVOBBH-QFIPXVFZSA-N 425.529 2.545 0 50 IFAA COc1ncc(C(=O)N2CC[C@@]3(CCCN(Cc4cccc(OC)c4OC)C3)C2)cn1 14962750 JPIAISOPFMJOKY-HSZRJFAPSA-N 426.517 2.631 0 50 IFAA O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1)N1CCCCC1 14989577 ZRKRQHOCURHKHL-MSOLQXFVSA-N 425.529 2.691 0 50 IFAA CN1CCC(Oc2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)CC1 67604284 XZGBMPOZQOPVHM-UHFFFAOYSA-N 446.573 2.655 0 50 IFAA COc1ccc([C@@H](NC(=O)CN2CCC[C@@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 229829944 VHXJWKDCFUNQIT-APWZRJJASA-N 431.562 2.711 0 50 IFAA CCC(=O)N1C[C@@H]2CN(S(=O)(=O)c3sc4ccc(Cl)cc4c3C)C[C@@]2(CO)C1 1775981195 BBHCSXPOHNEAOY-BFUOFWGJSA-N 442.990 2.715 0 50 IFAA Cc1cc(C)nc(C(=O)N=[S@](C)(=O)C2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)c1 1875392455 CQCZWOUCSLBNCR-HVQQASKCSA-N 433.574 2.743 0 50 IFAA Cc1cnn(-c2ccc(S(=O)(=O)NC(=O)c3cc4c(cc3N)CCCC4)cc2F)c1 2325815726 JTNXVYGYIMWOCY-UHFFFAOYSA-N 428.489 2.900 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccccc1 625766 KWWOHFKDLUFRGW-LUDQZLGDSA-N 434.517 2.807 0 50 IFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(OC)c3)C2)cc1 953232 HXVUDQULBWXRKD-OAHLLOKOSA-N 447.513 2.913 0 50 IFAA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2cccc(Br)c2)c2ccccc21 1170370 SLIJTAWYWYBXCR-HXUWFJFHSA-N 432.270 2.819 0 50 IFAA Cc1ccc(N2C(=O)[C@](NS(=O)(=O)c3ccccc3)(C(F)(F)F)N=C2O)cc1C 2863457 WWZCWZZPUWPPRN-KRWDZBQOSA-N 427.404 2.801 0 50 IFAA CC(C)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)OCc1ccccc1 4899998 HJNYSZOPKBPHFX-QMMLZNLJSA-N 442.512 2.546 0 50 IFAA CN(Cc1ccc2nccnc2c1)C(=O)CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 12150374 OPRGRDHBHYGXER-RUZDIDTESA-N 446.507 2.989 0 50 IFAA C[C@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2cnc3ccccn23)C[C@@H](C)O1 20211215 UHZJIQRKYWKIOF-IYBDPMFKSA-N 438.557 2.925 0 50 IFAA COc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)cc1C 20784920 VALNHQBVPQLUJQ-GOSISDBHSA-N 434.544 2.848 0 50 IFAA O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 23367016 IBIQKFRBLUUYCY-OAQYLSRUSA-N 445.579 2.758 0 50 IFAA CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 239297287 DYPWYALADNLMHN-NJURLYQPSA-N 433.379 2.920 0 50 IFAA O=C1CO[C@@H](CNc2ncccc2C(F)(F)F)CN1CC1CCN(CC2CC2)CC1 299802707 VXOFSWMJSLRSDK-KRWDZBQOSA-N 426.483 2.862 0 50 IFAA Cn1c(O)nc2ncc(-c3cccc(C(=O)NCc4ncnn4-c4ccccc4)c3)cc21 473298935 DWLPTWGJEDYOHP-UHFFFAOYSA-N 425.452 2.852 0 50 IFAA CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)c2ccc(-n3cccn3)c(F)c2)CC1 1318267186 RWRRGNKXRQBBOX-QHCPKHFHSA-N 447.514 2.747 0 50 IFAA O=C(c1cc2c(s1)C1(CCNCC1)OCC2)N1CCc2nc[nH]c2[C@@H]1c1ccncc1 1857689551 GXFFLHWGWAYHRO-FQEVSTJZSA-N 435.553 2.806 0 50 IFAA O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)NC[C@@H]1CCCO1 2873742 QTCADUVUTPBDGM-ZDUSSCGKSA-N 445.566 2.975 0 50 IFAA COc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1OC 9424295 PKPRAHZIOCHMMY-LJQANCHMSA-N 447.553 2.915 0 50 IFAA COc1ccc(-c2noc(CN3CCC(CN4CCCC4=O)CC3)n2)c(OC)c1OC 12589210 JBALGYBMBOZWOB-UHFFFAOYSA-N 430.505 2.597 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cnn(C(C)C)c2)CC1 15069178 KGAYGRHONDMQTG-UHFFFAOYSA-N 430.549 2.892 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccnc1)NCC(c1ccccc1)c1ccccc1 55100189 CXGCLKYYCZDQBL-DEOSSOPVSA-N 428.536 2.720 0 50 IFAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 65365026 MECAFODLYZPXNU-UHFFFAOYSA-N 434.903 2.768 0 50 IFAA CN(C)CCN(c1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 170602290 YSNVWGGUCGRIRL-UHFFFAOYSA-N 436.477 2.737 0 50 IFAA Cc1nnc(-c2sc(NC(=O)[C@H](C(C)C)n3c(=O)[nH]c4ccccc4c3=O)nc2C)o1 201766557 OHVKUJISCPKSER-AWEZNQCLSA-N 440.485 2.649 0 50 IFAA Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCCN3C3CCCCC3)C2=O)cc1 252510531 ZMXUHZICUKVDSH-RDPSFJRHSA-N 426.561 2.675 0 50 IFAA O=C(NNc1ncnc2ccccc12)c1ccc(CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 252536603 IYKPGKFEHVDRGM-IDPBPBMLSA-N 439.475 2.694 0 50 IFAA O=C(c1ccc2nc[nH]c2n1)N1CC[C@@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1 952895325 ZWTWKBHRPYIOBO-GOSISDBHSA-N 429.362 2.749 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1CCn2cncc2C1 1875288302 WKVPAALTOANBLM-CVEARBPZSA-N 428.500 2.554 0 50 IFAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(OC)c2OC)c1 779988 NYUQXVUMJLLHSS-LJQANCHMSA-N 427.457 2.988 0 50 IFAA CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC(C)=O)c(OC)c2)NC(C)=O)cc1 1232594 ITIGYBGSQGDGJU-UNOMPAQXSA-N 440.452 2.913 0 50 IFAA CN1N=C(C(=O)N(CCN2CCCCC2)C[C@@H]2CCCN(C3CCCC3)C2)CCC1=O 12091268 AQOMJPBEMCNGPW-HXUWFJFHSA-N 431.625 2.564 0 50 IFAA COCc1c(C(=O)NCc2ccon2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 12325456 HAQBGBRJLQTCLH-UHFFFAOYSA-N 430.468 2.882 0 50 IFAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1 13495504 IMMDPDPHKHFXBH-UHFFFAOYSA-N 437.949 2.851 0 50 IFAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1ccc(C(F)(F)F)cc1)C2 14541817 IHJKRQPHHSGNNT-GOSISDBHSA-N 449.521 2.957 0 50 IFAA CC(C)c1c(C(=O)NCCN2CCOCC2)cnn1-c1nccc(-c2ccccc2F)n1 19595582 CRMQPQVUEGJELE-UHFFFAOYSA-N 438.507 2.654 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3Br)CC2)cc1 19789981 HMZQNOCQOFKYTK-UHFFFAOYSA-N 425.348 2.964 0 50 IFAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCc2cccnc2)C[C@@H](C)O1 20514349 QFNHHAPPWFLGIF-IYBDPMFKSA-N 427.936 2.964 0 50 IFAA CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)sc2c1CCCC2 36007366 YOQAQGYFHAHOCG-UHFFFAOYSA-N 445.541 2.793 0 50 IFAA CN(C)C(=O)CCC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55060866 PFKWBPSAJMWXBQ-IBGZPJMESA-N 440.510 2.687 0 50 IFAA COC(=O)[C@H](c1c(F)cccc1Cl)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 170594150 RTXKBEWYXOBFMZ-KXBFYZLASA-N 425.932 2.712 0 50 IFAA CC(C)C[C@@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)c1nnc2ccccn12 223238388 QKEGTPZJUFTKKY-LJQANCHMSA-N 434.475 2.996 0 50 IFAA CC[C@]1(C(=O)NCCc2nc3ccccc3[nH]2)C[C@H]2CC[C@@H]1N2C(=O)c1nsnc1C 1857666232 OTBJKWNNJHHFLM-UVQUFPMPSA-N 438.557 2.855 0 50 IFAA CCOC(=O)Cc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 1875306300 ZWKOGJDQIQPDIU-UHFFFAOYSA-N 448.516 2.971 0 50 IFAA CN1CCN(c2cc(CN[C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)ccn2)CC1 2325728908 KHVWRPQPCHPQBW-IBGZPJMESA-N 433.478 2.747 0 50 IFAA COCc1ncc(C(=O)NC2(CN(C)C(=O)[C@@H]3CC[C@H](c4ccccc4)O3)CC2)s1 2325839232 MGKVLDOKSCGSLJ-SJORKVTESA-N 429.542 2.931 0 50 IFAA CCN(CC)[C@H]1CCN(C(=O)c2cn(C(C)C)cc(C(=O)NCc3ccccc3)c2=O)C1 11910508 SHVSTTFCNZSIKU-FQEVSTJZSA-N 438.572 2.916 0 50 IFAA CCN(CC)C(=O)c1cn(C[C@@H]2CCCN(C(=O)CCc3ccccc3OC)C2)nn1 12282582 CAQPTXOFFUQRDO-GOSISDBHSA-N 427.549 2.640 0 50 IFAA CCn1nc(C)cc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12587188 KTQQMTMMNHNRAD-HXUWFJFHSA-N 438.576 2.588 0 50 IFAA CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3OC)cc(-n3cnnn3)c2)C1 14879671 ONEHGVJWJHKTAP-INIZCTEOSA-N 435.484 2.753 0 50 IFAA CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OC)=C(C)N=2 22309614 JVLBSOGCQNTBQF-LYPXWFNGSA-N 440.546 2.868 0 50 IFAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)c(F)c1 44916689 OVNFEZVIULFXHO-UHFFFAOYSA-N 440.450 2.546 0 50 IFAA COC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)cc1 100271199 WCRQSCXWTPREOC-ZNSCVOQBSA-N 432.476 2.837 0 50 IFAA COCCN1C(=O)c2ccccc2[C@@H](C(=O)N[C@H](CC(C)C)C(=O)OC)C12CCCC2 252536726 JHODNIULTFJTHY-UXHICEINSA-N 430.545 2.889 0 50 IFAA C=CC(=O)NC[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1nn(C)c2c1COCC2 1875383103 GTUDOLMCJALCHW-CTNGQTDRSA-N 436.556 2.649 0 50 IFAA COc1cc(CNCCOc2nonc2C)ccc1OC[C@@H](O)CN1CCCCCCC1 11817554 UPWYEBNBBDSWGU-FQEVSTJZSA-N 448.564 2.561 0 50 IFAA COc1cccc(CN2C[C@H](C(=O)NCCc3nc(-c4ccccc4)no3)CCC2=O)c1 12056269 YOIBIXRWFSCPRB-LJQANCHMSA-N 434.496 2.843 0 50 IFAA COc1ccc(CN2C(=O)N(C)C3(CCN([C@@H](C)CCn4cccn4)CC3)C2=O)cc1 14753035 DBZVONJYWRJTEJ-SFHVURJKSA-N 425.533 2.599 0 50 IFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 19799580 GGKCVKDJEFVDHJ-UHFFFAOYSA-N 429.468 2.880 0 50 IFAA Cc1nc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)sc1C 20877697 PFBWKRYCZAKGBN-NRFANRHFSA-N 436.581 2.963 0 50 IFAA CCCCN(C)C(=O)c1nc2ccccn2c1CNCCc1cn2nc(C)sc2n1 23231692 RJAYKBZLOGVTNQ-UHFFFAOYSA-N 425.562 2.951 0 50 IFAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc4ncccc34)C2=O)cc1OC 170625579 UBDBOJOOOOLPOT-IBGZPJMESA-N 448.479 2.744 0 50 IFAA Cc1ccc(C(=O)OCc2cc(=O)c(O)co2)cc1S(=O)(=O)Nc1ccc(F)cc1 785491728 VLSLWYPZZBYBNI-UHFFFAOYSA-N 433.413 2.951 0 50 IFAA CCOC(=O)c1c(NC(=O)CSc2nnc(NC(C)=O)s2)sc2c1CCC2 2884943 RKPAOKRUJDJWOU-UHFFFAOYSA-N 426.545 2.954 0 50 IFAA COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O 2991724 IMECPLOSBVNLED-UHFFFAOYSA-N 432.951 2.757 0 50 IFAA COc1cc(CNCCc2nc(C)c3c(n2)CCC3)ccc1OC[C@@H](O)CN(C)C(C)C 12588355 VSTNILBDRXZJMW-FQEVSTJZSA-N 442.604 2.695 0 50 IFAA CCCn1c(C)nnc1SCC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OC(C)C 19630227 XNUDJLRTXCCUKX-UHFFFAOYSA-N 439.563 2.761 0 50 IFAA O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NCC1(N2CCOCC2)CCCC1 20166382 JPMFYCQXXGTYFK-UHFFFAOYSA-N 437.544 2.836 0 50 IFAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)NC4CCCCC4)CC3)c2c1 22752917 LYWPEGJTHVKGJZ-UHFFFAOYSA-N 427.545 2.758 0 50 IFAA biogenic,in-vitro Cc1cnc2c(c1)c(I)c(C(=O)O)n2S(=O)(=O)c1ccccc1 66054323 RSGIKNFXDNJRSJ-UHFFFAOYSA-N 442.234 2.885 0 50 IFAA in-vitro Cc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)nn2)n1 169777322 XUWXKJOMWKEMJJ-UHFFFAOYSA-N 436.394 2.941 0 50 IFAA NS(=O)(=O)c1cccc(S(=O)(=O)Nc2c(-c3cccs3)nc3ccccn23)c1 446720193 LSDSSDCOQXHRCU-UHFFFAOYSA-N 434.524 2.511 0 50 IFAA Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cc(N2CCNC(=O)C2)ccn1 468812332 CUICOJAXGMQSCE-IRXDYDNUSA-N 449.555 2.697 0 50 IFAA CSc1nc(C(F)F)cc(N2CCC[C@@]3(NC(=O)c4nccnc4N)CCC[C@H]23)n1 1875334786 DZTJMXIGJBLKPF-BUXKBTBVSA-N 435.504 2.830 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1=O 2325819355 BYKIQWVUHQINDN-OXQOHEQNSA-N 426.538 2.980 0 50 IFAA CCCCNC(=O)[C@H](c1cnc(N(C)C)nc1)N(C(=O)c1ccccc1)c1ccn(C)n1 2325826405 ADNRFVPSIJHHTG-FQEVSTJZSA-N 435.532 2.581 0 50 IFAA C[C@@](CO)(NC(=O)Cc1csc(N2CCCNC2=O)n1)c1cccc(C(F)(F)F)c1 2325852221 WRFCIJNPQGGPBX-SFHVURJKSA-N 442.463 2.648 0 50 IFAA O=C(NCc1ccncc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1158105 ARXYSZONSYJILM-UHFFFAOYSA-N 438.347 2.561 0 50 IFAA Cc1nc(CC(C)C)cc(C(=O)N2CCC(N3CCC(C(=O)NC4CC4)CC3)CC2)n1 11663146 USGGSLGRVVDJRE-UHFFFAOYSA-N 427.593 2.579 0 50 IFAA COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@H](O)c3ccccc3)cc2)CC1 11814079 NIYOTAFSPMCACR-QFIPXVFZSA-N 426.513 2.508 0 50 IFAA CN(Cc1cnn(C)c1)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O 11870709 UCNNNWNPTJPZLP-NRFANRHFSA-N 448.445 2.647 0 50 IFAA COc1cccc(CN2C(=O)N[C@@](C)(C3CCN(C(=O)CC(C)C)CC3)C2=O)c1OC 11880443 UKGCPWAIMJTDHR-QHCPKHFHSA-N 431.533 2.799 0 50 IFAA O=C(c1ccc(N2CCC(NC[C@@H]3COc4ccccc4O3)CC2)cc1)N1CCOCC1 12246994 QGCAHFFKGYZLNU-JOCHJYFZSA-N 437.540 2.557 0 50 IFAA Cn1c(CCNC(=O)CC[C@]2(Cc3ccc4c(c3)OCO4)CCC(=O)N2)nc2ccccc21 15003923 ZVRADGLCVHTJPU-RUZDIDTESA-N 448.523 2.632 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccccc3)cc2)CC1 16426522 KCGJVISWXVHMOM-UHFFFAOYSA-N 430.526 2.716 0 50 IFAA CS(=O)(=O)c1ncc(CN2CCN(Cc3ccccc3)CC2)n1Cc1ccccc1F 19866554 NSFGJGLVYRWNCX-UHFFFAOYSA-N 442.560 2.792 0 50 IFAA O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@H]1C[C@@H]1c1c(F)cccc1F 170629078 OXPLPESWJYPFFV-WFASDCNBSA-N 435.224 2.996 0 50 IFAA CSCC[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1nnc2ccccn12 223225827 KXBRBKJSPLPVAS-OAHLLOKOSA-N 440.554 2.625 0 50 IFAA CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccc(CC)cc1 230113685 JCUVHQHLUVKOBM-NQIIRXRSSA-N 443.544 2.695 0 50 IFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(C)o2)CC(=O)N(CCc2ccccc2)C1 299795055 LQBPRXSNPGSANU-QHCPKHFHSA-N 441.572 2.729 0 50 IFAA Cc1nc2ccccc2n1C1CCN(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC1 432453439 JBOYJULOFVWWNR-QGZVFWFLSA-N 442.545 2.770 0 50 IFAA CC(C)(C)c1nc(N2CCC[C@H]3CN(C(=O)c4cccc(F)c4F)CC[C@@H]32)[nH]c(=N)n1 1875335024 PIBRPGPIKGYXSO-BBRMVZONSA-N 430.503 2.991 0 50 IFAA CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(C)(=O)=O 784256 UXINZPIHFFXXNE-UHFFFAOYSA-N 445.541 2.726 0 50 IFAA COc1cc(CNCCc2ccccc2C)ccc1OC[C@@H](O)CN1CCC(O)CC1 12385871 CURMYKMEBMAXHJ-QHCPKHFHSA-N 428.573 2.532 0 50 IFAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)C2=C(C)OCCO2)C1 12594099 KBSHPOPFJGYKRQ-FQEVSTJZSA-N 431.577 2.576 0 50 IFAA Cc1ccccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(Cl)cc1 14154276 CAQTWFPEFCWELD-UHFFFAOYSA-N 449.960 2.568 0 50 IFAA O=C(NC[C@H]1CCCO1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 16647940 XEHWSJXULFAXHV-OAHLLOKOSA-N 435.373 2.830 0 50 IFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)CC[C@@]2(Cc3cccs3)CCC(=O)N2)C1 19143327 XFOYFPYXXVFSJY-OPAMFIHVSA-N 428.558 2.575 0 50 IFAA CCN1C(=O)[C@@H](CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)N(CC)C1=O 19831846 DZZGDINALYXFNO-JOCHJYFZSA-N 448.567 2.983 0 50 IFAA Cc1cc(C[C@@H](C)NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)n(-c2ccccc2)n1 448447944 LRZIVYFPAHGIOT-OYLFLEFRSA-N 431.496 2.596 0 50 IFAA CNS(=O)(=O)c1ccc(N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)nc1 463080346 XOCWEEGFWOECCC-FQEVSTJZSA-N 449.529 2.734 0 50 IFAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@H](N(C)C)C3)c2)C1 1875254422 RUAGMTMEFKYROU-OAGGEKHMSA-N 427.998 2.783 0 50 IFAA COC(=O)c1ccc([C@@H](NC(=O)CNC(=O)c2c(F)cccc2F)C(F)(F)F)cc1 1875405436 GERLVKIFBJFWPI-MRXNPFEDSA-N 430.329 2.901 0 50 IFAA Cc1[nH]nc2ncc(C(=O)N3CCC[C@H]3[C@@H]3CCN(C(=O)c4cc5cccnc5[nH]4)C3)cc12 2332239506 ARGTWCPUNOADSW-UZLBHIALSA-N 443.511 2.910 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 899533 ZNSSCRVIISCJDW-UHFFFAOYSA-N 430.551 2.843 0 50 IFAA COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1cccs1 2672486 SFBGHANYRHUWLH-JBXOJTMHSA-N 446.575 2.548 0 50 IFAA Cn1cccc1Cc1nnc(SCC(=O)NC[C@@H]2CCCO2)n1-c1ccc(F)cc1 6577336 VSPDCSSRROXDMQ-SFHVURJKSA-N 429.521 2.723 0 50 IFAA CCOc1ccc(/C=c2\sc3nnc(-c4ccc(OC)c(OC)c4)n3c2=O)cc1OC 12412035 UPZCGDJMSZMSDR-ODLFYWEKSA-N 439.493 2.790 0 50 IFAA CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)cc(OC)c2OCC(=O)O)NC(=S)N1 16448539 BBCTUISNVOHJDS-MRXNPFEDSA-N 442.921 2.948 0 50 IFAA COCCCn1cnc2sc3c(c2c1=O)CC[C@@H](N(CCO)Cc1ccccc1)C3 20601398 RSVYKPBBHHRQSE-GOSISDBHSA-N 427.570 2.846 0 50 IFAA CS(=O)(=O)c1ncc(CN2CCC(Oc3ccccc3F)CC2)n1C[C@@H]1CCCO1 55252677 VKAKJSMCMVTHHW-SFHVURJKSA-N 437.537 2.648 0 50 IFAA COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 100095681 QEGZFZNFRSYZFF-HXUWFJFHSA-N 441.915 2.576 0 50 IFAA CC(C)C[C@H](C(=O)O[C@H](C)C(=O)NCc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 241126180 JKDGEPBEDYKLLP-VBSBHUPXSA-N 426.513 2.600 0 50 IFAA Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccccc3OCCN3CCOCC3)C2)n1 263587878 MHCZQXFSLYEGAE-FQEVSTJZSA-N 439.560 2.660 0 50 IFAA O=C(NCCn1nc(O)c2ccccc2c1=O)c1ccccc1OC(F)(F)C(F)F 670471642 QFDWVRBHJIXZJR-UHFFFAOYSA-N 425.338 2.769 0 50 IFAA O=C(c1ccc(N2CCOCC2)nc1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1 1857717684 SULMKAANGIYHED-UPVQGACJSA-N 436.556 2.596 0 50 IFAA O=C(CSc1nnnn1-c1ccccc1)Nc1cccc(I)c1 1058474 RCKSZYOJDZKXHD-UHFFFAOYSA-N 437.266 2.998 0 50 IFAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCc3ccc(F)cc3)c2)CC1 11841832 OKZGPYIBFGQNHM-JOCHJYFZSA-N 430.520 2.740 0 50 IFAA COc1cc(C[C@H](C)N2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)ccc1O 12021659 SICYUEMDINYMCO-KRWDZBQOSA-N 427.549 2.887 0 50 IFAA COCCS(=O)(=O)c1ncc(CN(C)Cc2nc(C)cs2)n1Cc1ccccc1 12306328 CVIGFTNGIFSMNE-UHFFFAOYSA-N 434.587 2.748 0 50 IFAA O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19924412 QNVWFCKCXYYMNY-UHFFFAOYSA-N 428.432 2.941 0 50 IFAA CCNC(=O)[C@@H]1C[C@@H](NCc2ccc(C(=O)OC)cc2)CN1Cc1ccccc1Cl 23362091 VHUWERORQTYYEO-CTNGQTDRSA-N 429.948 2.995 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)c(C)c1C 65362782 BLOFCWLFIFBGKM-UHFFFAOYSA-N 445.589 2.522 0 50 IFAA COc1cc2nc(CSCC(=O)Nc3ccc4c(c3)OCCO4)nc(O)c2cc1OC 1775971251 HODYEPQMMXIXAV-UHFFFAOYSA-N 443.481 2.996 0 50 IFAA COC(=O)c1ccccc1NC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC2 1159406 WWJBZGRVHXTZKT-UHFFFAOYSA-N 443.525 2.546 0 50 IFAA CSCC[C@@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)O 5220422 CSSWRNDDVNXJLD-PCJMVEANSA-N 442.493 2.509 0 50 IFAA biogenic Cc1ncoc1C(=O)N1CCOc2ccc(CN3CCN(c4ccccn4)CC3)cc2C1 12025165 MUIHSYJOEQJZCJ-UHFFFAOYSA-N 433.512 2.735 0 50 IFAA CC(C)Oc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1 14987536 ZUDVXXJDWOIZDM-UHFFFAOYSA-N 433.556 2.983 0 50 IFAA C[C@@H]1CN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)CCN1C 19636904 BALURPGPSSVQFE-HXUWFJFHSA-N 438.620 2.561 0 50 IFAA CCOc1ccccc1NC(=O)[C@H]1CC(=O)NC(Nc2nc(C)c3cc(C)ccc3n2)=N1 19866197 YJGGFQVJYUONEI-GOSISDBHSA-N 432.484 2.940 0 50 IFAA CCN1CCN(Cc2ccc(OC)c(OC[C@H](O)CN(C)Cc3ccccc3)c2)CC1 20536397 DSODQMIMHXMCIX-HSZRJFAPSA-N 427.589 2.704 0 50 IFAA O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 22972202 USZSDFMFBFKRGA-LJQANCHMSA-N 428.330 2.899 0 50 IFAA CCOC(=O)c1sc(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)nc1C 23095809 YDOSUZGLYQOTDY-JXMROGBWSA-N 428.558 2.898 0 50 IFAA CN(C)c1ncc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 23375078 KYGROXJYROIEMT-LJQANCHMSA-N 443.617 2.720 0 50 IFAA CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCCc2nnc(-c3ccco3)[nH]2)C1(C)C 170602259 NZBIDGBQSKLTTQ-IVZQSRNASA-N 447.536 2.822 0 50 IFAA CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@](C)(CC(=O)OC)c2ccc(F)cc2)cc1 170609978 QDUXJVBLXZWRFZ-MNTLFOFUSA-N 448.516 2.732 0 50 IFAA O=C(c1ccccc1)N1[C@H]2CC[C@@H]1C[C@]2(Cc1cscn1)C(=O)NCCc1cnc[nH]1 1704336417 HMPDWTHFTRGZTF-QTEQDKRBSA-N 435.553 2.831 0 50 IFAA O=C(Cn1nc(-c2ccco2)ccc1=O)NCC1(N2Cc3ccccc3C2=O)CCCCC1 1775942425 LJFLJHQGTXHGKC-UHFFFAOYSA-N 446.507 2.978 0 50 IFAA C[C@H](NC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2)C1)c1cn(-c2ccccc2)nn1 1875261723 DEZVIDUYMJWFAL-OALUTQOASA-N 432.528 2.795 0 50 IFAA COc1ccc(N2C[C@H](C(=O)N=c3[nH][nH]c4cccc(N(C)C)c34)CC2=O)cc1Cl 2100483299 KEGXLKDOITYVJV-GFCCVEGCSA-N 427.892 2.704 0 50 IFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4Cc5cccc(Cl)c5C4)ccc3C2=O)C(=O)N1 2325898142 UWDHKLGMRBYWRB-SFHVURJKSA-N 438.871 2.649 0 50 IFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)Cc3cccnc3)C2)c(OC)c1 12319761 ULLIKXGILVOMHZ-GOSISDBHSA-N 425.529 2.977 0 50 IFAA CN1CCN(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)CC1 12844702 CAQCBCPZUXRQBH-UHFFFAOYSA-N 437.491 2.632 0 50 IFAA Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c(C)c1 13009464 HAKHQSFYNWBTIV-UHFFFAOYSA-N 440.573 2.715 0 50 IFAA COc1ccc(F)c(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)c1 20452450 CZTKDXOWGMOFMJ-UHFFFAOYSA-N 427.455 2.553 0 50 IFAA O=C(NCC1(c2ccccc2)CCCCC1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 67604812 YOYDBZJSKWNDKP-NRFANRHFSA-N 427.589 2.576 0 50 IFAA CCOc1ccc(N2C(=O)C[C@@H](N3CCN([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1 100594434 YBUROUGFUOVFDR-ISKFKSNPSA-N 433.552 2.892 0 50 IFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C2=C1C(=O)OC2 169758172 HHQJDRBFLUAHAE-JOCHJYFZSA-N 449.463 2.804 0 50 IFAA Cc1cccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CCC(=O)O)c1 170618432 HFUMKDCUOMUILP-IBGZPJMESA-N 429.498 2.909 0 50 IFAA NC(=O)C[C@@H]1CCCN(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 472273130 FSVYKRVYZDNZLT-NRFANRHFSA-N 445.567 2.802 0 50 IFAA COc1ccc([C@@H](NC(=O)CN2CCc3ccc(S(C)(=O)=O)cc3CC2)C2CC2)cc1 888093066 HWTZQYQITBXORO-DEOSSOPVSA-N 442.581 2.767 0 50 IFAA Cc1ccn2cc(C(=O)N3CCO[C@@H](CN4CCC(O)CC4)[C@@H]3c3ccccc3)nc2c1 1857712623 SEGLXOKKIYDIBZ-UPVQGACJSA-N 434.540 2.682 0 50 IFAA Cc1cc(=NC(=O)C(=O)NCCCOCc2ccccc2)[nH]n1-c1ccccc1Cl 1875257312 HCKKUXOOWGNCMZ-UHFFFAOYSA-N 426.904 2.918 0 50 IFAA C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)Nc2ccccc2)C1)c1cn(-c2ccccc2)nn1 1875261724 DEZVIDUYMJWFAL-RBUKOAKNSA-N 432.528 2.795 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)N[C@H]1CCc2nc[nH]c2C1 1875288231 SZAUCYDVKNRBEG-CABCVRRESA-N 443.515 2.558 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OC[C@H]3C[N@]3CC3CC3)cc2)cc1 1875384826 JAPSJQHBCMEMAW-NLFFAJNJSA-N 429.542 2.943 0 50 IFAA O=C(c1cc[n+]([O-])cc1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 11879783 MXMJCGQQPRVKGI-RUZDIDTESA-N 435.568 2.821 0 50 IFAA CC[C@H]1C(=O)NCCN1C(=O)c1cc(OC)ccc1OC1CCN(C2CCCC2)CC1 12582290 SMIPUCMLHCVXAY-NRFANRHFSA-N 429.561 2.832 0 50 IFAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)C(=O)c2ccco2)C1 12585077 JWAQVEQNJQXDRD-IBGZPJMESA-N 427.545 2.773 0 50 IFAA Cc1nc(CN2C[C@H](OCc3ccccn3)CN(C(=O)[C@H]3CC=CCC3)CC2=O)cs1 14541665 FBJDRBFETQRYLF-RXVVDRJESA-N 440.569 2.959 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCC1CCOCC1 14977503 SAYKQCUGAHFYRQ-DEOSSOPVSA-N 435.568 2.552 0 50 IFAA COc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c(OC)c1C 23129888 LUSQVUYVRGBYQA-UHFFFAOYSA-N 449.555 2.521 0 50 IFAA CCOC(=O)[C@@H]1[C@@H]2c3ccccc3C=NN2[C@H](C(=O)OCC)[C@@H]2c3ccccc3C=NN12 239415326 UEGOQIIYBYDIQE-CMOCDZPBSA-N 432.480 2.645 0 50 IFAA COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)c1 245246476 MNUZQXZGLGFDJP-QTZVNIFKSA-N 443.503 2.822 0 50 IFAA O=C(NC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2F)C3)CC1 263616581 JMZGXERHHIRJHL-JOCHJYFZSA-N 442.539 2.895 0 50 IFAA O=C(c1cn(CC[C@H]2CCCCN2)nn1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506404469 DPMXTMCXMOWFJH-QGZVFWFLSA-N 425.512 2.846 0 50 IFAA CS(=O)(=O)NC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C(F)(F)F 1875390396 UGQHQSBHSXLMLN-UHFFFAOYSA-N 436.721 2.648 0 50 IFAA CCN(Cc1c[nH]c2ccccc12)C(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896427 YICSQJJOQHZYKS-OAQYLSRUSA-N 444.491 2.591 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1ccccc1 1206070 INNCSYOWXGJIFZ-JCAJYURWSA-N 429.501 2.890 0 50 IFAA CCN(CC)C(=O)C(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12 2873146 LWOJZINTWOYBNK-UHFFFAOYSA-N 435.480 2.738 0 50 IFAA O=C(CCOc1ccccc1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccn2)CC1 12206741 HYPCOASUQUVISG-JOCHJYFZSA-N 448.567 2.828 0 50 IFAA COc1cccc(CCC(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)c1 12279527 ULLISKSULXATMC-LJQANCHMSA-N 425.533 2.583 0 50 IFAA Cc1cc(C)cc(N([C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 20482069 BENLWLVDZRKLRO-FQEVSTJZSA-N 429.586 2.802 0 50 IFAA CCN1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)CC1 20997469 BJCQAHUPEUKHFX-UHFFFAOYSA-N 438.620 2.562 0 50 IFAA CS(=O)(=O)c1ncc(CN2CCC(C(=O)c3ccccc3)CC2)n1C[C@H]1CCCO1 55074085 MOUNSAVZTVCZQS-HXUWFJFHSA-N 431.558 2.561 0 50 IFAA Cc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(N2CCOCC2)n1 64800226 CYQAOWUKIZEROV-UHFFFAOYSA-N 434.903 2.768 0 50 IFAA COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CNC(=O)c1ccco1 225737923 WWFSOJCXGXUIDZ-QGZVFWFLSA-N 443.500 2.839 0 50 IFAA CCOc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)cc1C 230513085 IXFLQNKKADOSMQ-UHFFFAOYSA-N 432.542 2.937 0 50 IFAA C[C@@H](NC(=O)CC[C@H]1N=C(O)N(Cc2cccc(Cl)c2)C1=O)c1nnc2ccccn12 252483481 FCGOSRMZNCRWLG-CZUORRHYSA-N 440.891 2.665 0 50 IFAA COc1cc(C=c2sc3nc(=O)c(-c4ccccc4)nn3c2=O)ccc1OCC(C)C 254701283 SRXJEEAQUYJLFS-UHFFFAOYSA-N 435.505 2.769 0 50 IFAA COc1cc(OC)cc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@H]2CCS(=O)(=O)C2)c1 334158005 HRZYHCIBDCVRAD-KRWDZBQOSA-N 441.509 2.601 0 50 IFAA CCn1c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)nc2cc(F)ccc21 784112330 URQRBLHQNIRBND-JOCHJYFZSA-N 439.447 2.610 0 50 IFAA COCCc1nsc(N2CC[C@](c3nc(-c4ccncc4)no3)(C(F)(F)F)C2)n1 952891611 AWVQPSNSHQJPRL-INIZCTEOSA-N 426.424 2.882 0 50 IFAA CCc1[nH]nc(C(=O)NCC(C)(C)C2CCN(C(=O)c3coc(C(N)=O)c3)CC2)c1Cl 1875322445 TUMSZZQAAVSNGQ-UHFFFAOYSA-N 449.939 2.626 0 50 IFAA CC1(C)Cc2ccccc2N1C(=O)Nc1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325901379 BUINFQOJGHOVOH-LJQANCHMSA-N 432.480 2.821 0 50 IFAA C[C@H](Cn1cccn1)C(=O)N1CCC(CCC(=O)Nc2ccc3c(c2)OCCO3)CC1 11956030 CTRYDAYZKCHHRC-QGZVFWFLSA-N 426.517 2.948 0 50 IFAA COc1cccc(CCNC(=O)CCc2nnc(Cc3cc(OC)ccc3OC)o2)c1 12442902 UDWZXRUMARFMDM-UHFFFAOYSA-N 425.485 2.978 0 50 IFAA COC(=O)c1c(NC(=O)c2ccco2)c2cc(NC3CCN(C(C)=O)CC3)cnc2n1C 14532686 LTQPTCSXJUNVEA-UHFFFAOYSA-N 439.472 2.628 0 50 IFAA COc1ccc(C(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)cc1OC 14993164 KLXUKYJGCMCFIX-KRWDZBQOSA-N 429.521 2.519 0 50 IFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)Cc3cn4ccsc4n3)C2)CC1 55100094 DAHPYPBXFHVYPC-IBGZPJMESA-N 439.585 2.760 0 50 IFAA Cc1ccc(CNC(=O)c2nnc(CN[C@@H]3CCCC[C@@H]3N3CCOCC3)s2)cc1 170607320 CANHCYARAAUXHR-MOPGFXCFSA-N 429.590 2.510 0 50 IFAA COCCn1cc([C@@H]2[C@@H](C(=O)Nc3cnc(C4CC4)nc3)CC(=O)N2C(C)(C)C)cn1 225455575 GOHXDNLGRBIDMB-PKOBYXMFSA-N 426.521 2.524 0 50 IFAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5cccc(C)c5)CC4)c3CO2)cc1 263617036 LTVITFUKTVMPOV-JOCHJYFZSA-N 433.512 2.829 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)O)CC1 299761555 KGPFEVVNUHEKTJ-RBBKRZOGSA-N 438.572 2.968 0 50 IFAA O=C1CO[C@@H](CNc2cc(C(F)(F)F)ccn2)CN1CC1CCN(CC2CC2)CC1 299775428 JIWMVWQDWWMPQS-SFHVURJKSA-N 426.483 2.862 0 50 IFAA COc1ccc(-c2cc(=NC(=O)c3ccccc3F)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158087 NQBIWRLQUHXVEF-HNNXBMFYSA-N 429.473 2.732 0 50 IFAA CN1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)c2cc3c(s2)CCOC3)CC1 482849266 PHFPDMBXQLGHFM-LJQANCHMSA-N 425.554 2.556 0 50 IFAA O[C@@H]1CC[C@@H](O)[C@H]2CC[C@H]1N2c1ncc(C(F)(F)F)cc1I 2325780140 JZGAIISYYHEZHA-DDHJBXDOSA-N 428.192 2.558 0 50 IFAA CCN(CC)[C@H](C(=O)N1CCN(C(=O)[C@@H](C)OC)CC1)c1cccc(C(F)(F)F)c1 2325827726 OOKVCYYWVHSZHD-QAPCUYQASA-N 429.483 2.794 0 50 IFAA Cc1cc(F)cc(-n2cc(C(=O)N3CCC([S@](C)(=O)=NC(=O)[C@@H]4C[C@@H]4C)CC3)nn2)c1 2332239003 TVLVHMQOWSFGQT-ZPDIXIMDSA-N 447.536 2.600 0 50 IFAA O=C(COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Br)cc1 1023634 BJWXNJXPBSQTEG-WBVHZDCISA-N 448.269 2.809 0 50 IFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 1149824 XJMMIMGUMOKDBU-RMKNXTFCSA-N 429.425 2.938 0 50 IFAA COc1cc(Br)cc2cc(C(=O)N3CCN(c4ccccn4)CC3)c(=O)oc12 6603473 NMOWLZPXJNKWON-UHFFFAOYSA-N 444.285 2.922 0 50 IFAA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccnc4)c(=O)n32)cc1 9271771 QTVJYKHBVBHLOA-JCAJYURWSA-N 449.532 2.590 0 50 IFAA CCOC(=O)C1=C(CSc2nnc(N)s2)NC(=O)N[C@H]1c1ccc(Cl)cc1 11151732 LWCFKQVCWKKRNF-LBPRGKRZSA-N 425.923 2.737 0 50 IFAA CCCc1cc(CN(C)Cc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nc3sccn23)n[nH]1 11819590 LTBFCOJAYVMIAK-GASCZTMLSA-N 430.578 2.953 0 50 IFAA CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)c2cccc(-n3cccn3)c2)CC1=O 14532243 JUKKEMHHCHPDLS-HSZRJFAPSA-N 447.539 2.793 0 50 IFAA CC(C)(C)c1csc(NC(=O)C[C@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)n1 206252817 OZWUQPHJMCQFTM-GFCCVEGCSA-N 430.486 2.619 0 50 IFAA CCOC(=O)c1cc2cc(S(=O)(=O)Nc3nc(CCOC)ns3)ccc2s1 225392153 CGQSZZBMBYUELA-UHFFFAOYSA-N 427.529 2.919 0 50 IFAA C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN([C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)C1 229702749 SEEIOXKGHDVQFJ-ZGXWSNOMSA-N 432.584 2.514 0 50 IFAA CCC[C@H](C(=O)OCC)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 252476987 GCGFHEPKAAPXBJ-GUDVDZBRSA-N 439.597 2.946 0 50 IFAA CC(C)n1c(CCNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)nc2ccccc21 736220624 ODCANTSJOBRLSO-DEOSSOPVSA-N 433.512 2.743 0 50 IFAA COc1cccc([C@H](C)S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 2325819529 HUXXBPMTYFXKIE-BXWFABGCSA-N 430.526 2.812 0 50 IFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)CCc2cccc(Cl)c2)CC1=O 2325819617 LDQOSOZJAWNYFY-QAPCUYQASA-N 434.945 2.938 0 50 IFAA Cn1ccc2c(CN3CCC4(CCc5c(O)nc(N6CCOCC6)nc54)CC3)cccc21 2356136086 GFIWMXPALQNOIV-UHFFFAOYSA-N 433.556 2.991 0 50 IFAA O=C1C[C@@H](c2ccccc2)NCCCN(C(=O)c2ccccc2-n2cncn2)CCCCN1 2356161319 PJJZUHQNKRTFND-QFIPXVFZSA-N 446.555 2.731 0 50 IFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(Br)ccc(OC)c1O 623442 RNJOXORKIDGJGZ-UHFFFAOYSA-N 426.263 2.744 0 50 IFAA COc1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3[C@H]2c2ccc(O)cc2)cc1 8583685 ZUGHLDNMVMDYKT-NRFANRHFSA-N 435.484 2.845 0 50 IFAA Cc1noc(C)c1CC(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12054125 LAXUMXRDHMQRSR-FQEVSTJZSA-N 439.560 2.597 0 50 IFAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccc(C)o3)n[nH]2)CC1 12300442 JOBMYKJLDGPOTK-LJQANCHMSA-N 430.549 2.958 0 50 IFAA CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2CCc2ccc(OC)c(OC)c2)C1 13322711 HULJFYRPEPSARD-OAHLLOKOSA-N 440.591 2.730 0 50 IFAA COc1ncc(C(=O)N2CC[C@]3(CCCN(Cc4cccc(OC)c4OC)C3)C2)cn1 14962754 JPIAISOPFMJOKY-QHCPKHFHSA-N 426.517 2.631 0 50 IFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 15671208 QQIRMFVWWNDGFZ-UHFFFAOYSA-N 435.450 2.603 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)c(Cl)c1 16475140 NDOYDMIJKXBQSZ-UHFFFAOYSA-N 425.913 2.594 0 50 IFAA O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccccc1F 16622239 LEOSXVWKCLPWGP-UHFFFAOYSA-N 428.869 2.518 0 50 IFAA Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3cc(=O)n4cccc(C)c4n3)C2)cc1 110286090 MJHIDMDTQOWZHY-LJQANCHMSA-N 440.569 2.502 0 50 IFAA CN(C)c1ncnc(Cl)c1CN1CCN(C(=O)c2ccccc2OC(F)F)CC1 170616821 ABGOIXAXECLYCC-UHFFFAOYSA-N 425.867 2.755 0 50 IFAA C[C@@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2Br)C[C@@H](C)O1 229656559 ZPSQBQIRCKGMAU-UMVBOHGHSA-N 435.359 2.851 0 50 IFAA O=C(Nc1cc(I)cc(I)c1)[C@@H]1CCOC1 253423166 STCTYCCIFLNZGE-SSDOTTSWSA-N 443.022 2.871 0 50 IFAA Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)[C@H]1CCCCN1C)C2 299780214 RXQGWWZTFGOFAW-OAQYLSRUSA-N 426.586 2.679 0 50 IFAA CN(CC(=O)Nc1ccc(Cc2ccncc2)cc1)C(=O)c1cnn(C)c1-n1cccc1 1875262621 OPVGCKFLCOQZBO-UHFFFAOYSA-N 428.496 2.907 0 50 IFAA O=C(N[C@@H]1CCCN(c2ccc(Br)cc2)C1=O)c1csc(=NC2CC2)[nH]1 1875319065 YGERPAPPSPKPBR-CQSZACIVSA-N 435.347 2.827 0 50 IFAA O=C1CCN(CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C(=O)N1Cc1cccc2ccsc12 1875322225 MPGFPLZRFKYLPH-XAMWDVODSA-N 449.532 2.863 0 50 IFAA CC(C)(C)C[C@H](CNC(=O)c1cncc(F)c1)c1cn(-c2cncc(C(=O)O)c2)nn1 1875324984 PRBFACFXEYTZDR-OAHLLOKOSA-N 426.452 2.844 0 50 IFAA Cc1ccc2nc(C3CC3)cc(C(=O)N3CC(OCc4cn(C(C)(C)C(=O)O)nn4)C3)c2c1 1875357053 ZDRIKYHGIZDCJG-UHFFFAOYSA-N 449.511 2.873 0 50 IFAA CCc1ccc(-c2ccc(C(=O)N(CC(=O)NC)Cc3nc([C@H]4CCOC4)n[nH]3)o2)cc1 1875380767 ZDQAHEGWPZCBTM-KRWDZBQOSA-N 437.500 2.519 0 50 IFAA CCc1noc(COCC(=O)N[C@@H]2CCN(C(=O)[C@@H](C)c3cc4ccccc4o3)[C@@H]2C)n1 2325829920 WEZULMBRXVLGOR-ZMSDIMECSA-N 440.500 2.804 0 50 IFAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)cc2OC)c1 909901 VOHJKQMCMRGWHH-HXUWFJFHSA-N 427.457 2.988 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(I)cc1 1146091 HNBMWZDKQAJROX-UHFFFAOYSA-N 448.257 2.835 0 50 IFAA COC(=O)C1=CC[C@@]23CC[C@@H]([C@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@@]3(OC(C)=O)CC1 4468920 VDGOFNMYZYBUDT-LXMPTPGOSA-N 432.469 2.871 0 50 IFAA biogenic,in-vitro O=C(Cc1ccccc1)Nc1ccnn1C1CCN(C(=O)CCN2CCCCO2)CC1 12297569 KPRFYAIHMRRYOG-UHFFFAOYSA-N 425.533 2.645 0 50 IFAA CN(CCn1cc(C(=O)NCc2ccncc2)nn1)Cc1ccc(OC(F)(F)F)cc1 14979404 ZVOLMVHVRSFPBA-UHFFFAOYSA-N 434.422 2.634 0 50 IFAA COC(=O)[C@@H]1C[C@@H](NC(=O)CCn2nc(C)cc2C)CN1Cc1c(F)cccc1Cl 39430542 ZGCDZHIBYZCCCG-BEFAXECRSA-N 436.915 2.615 0 50 IFAA COC(=O)c1cn(-c2cc(Br)c(O)c(Br)c2)cc2c(=O)[nH]nc1-2 253414378 XGYJSDXDPMQMCF-UHFFFAOYSA-N 443.051 2.683 0 50 IFAA NC(=O)CNC(=O)Nc1cccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)c1 253425142 BAEYKZYVNOBGDS-UHFFFAOYSA-N 430.262 2.790 0 50 IFAA O=C1NC[C@]2(CNC(=O)C3(CCNCC3)COCC=CCc3ccccc31)CC21CCC1 2325894010 JJRLTYSZGKAMEC-SANMLTNESA-N 437.584 2.592 0 50 IFAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(Cl)c1 1059348 BOPMYZDUOQWVPV-UHFFFAOYSA-N 428.869 2.518 0 50 IFAA CC(C)[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)OCc1ccccc1 4899995 HJNYSZOPKBPHFX-JRGCBEDISA-N 442.512 2.546 0 50 IFAA CC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2OC)CC(=O)N(CCCOC)C1=O 12000650 YEQYZZPRZUNBOR-KOSHJBKYSA-N 430.545 2.910 0 50 IFAA O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NC1Cc3ccccc3C1)C2)c1cccnc1 12100175 LWTAVTVFLDMYLQ-MRXNPFEDSA-N 432.505 2.819 0 50 IFAA O=C1CN(C(=O)[C@@H]2CCOC2)C[C@@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14752422 NBAWQCXCUHNOIL-GGAORHGYSA-N 440.515 2.661 0 50 IFAA Cc1cc(C)cc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1 15000889 ZSZILEPDVAVCJX-UNMCSNQZSA-N 425.577 2.803 0 50 IFAA O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C(=O)CCc3ccccc3)CC2)CC1 15064048 QGTIWFRODBMMGO-HSZRJFAPSA-N 427.589 2.617 0 50 IFAA O=C(COc1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 15929468 STRFTXSQJJABTH-UHFFFAOYSA-N 435.354 2.967 0 50 IFAA CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 16248484 FVLHDEBLKPYWHR-QFIPXVFZSA-N 441.597 2.592 0 50 IFAA CNC(=O)C[C@@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 225475695 HVHQUZPISXSISF-QZTJIDSGSA-N 444.329 2.796 0 50 IFAA CCOC(=O)c1n[nH]c(-c2cccc(CNS(=O)(=O)Cc3ccc(C)cc3F)c2)n1 480386833 MZXFHWJIIMUKDM-UHFFFAOYSA-N 432.477 2.716 0 50 IFAA CN1CCC(=O)Nc2cc(C(=O)N3CCC[C@H](n4cc(-c5cncc(F)c5)nn4)C3)ccc21 1875359237 YXECBHLKRPHCIQ-SFHVURJKSA-N 449.490 2.735 0 50 IFAA CNC(=O)c1ccc(CS(=O)(=O)NC(=O)c2cc3ccccc3n2CC2CC2)cc1 2325743047 QNUSEBAYLVFDSS-UHFFFAOYSA-N 425.510 2.671 0 50 IFAA COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C)nc(C(Cl)(Cl)Cl)n1 1226893 XFQOHKSNAPIJTL-UHFFFAOYSA-N 440.696 2.526 0 50 IFAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCn2cncn2)CC1 11945153 WYOASAYYPGKFRW-QHCPKHFHSA-N 425.577 2.896 0 50 IFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)C2=NNC(=O)CC2)O3)c1 12218544 CWULPPFAEVNPRR-OAHLLOKOSA-N 443.887 2.710 0 50 IFAA O=C1CN(C(=O)c2cncs2)C[C@@H](OCc2ccncc2)CN1CCc1ccccc1 14541116 WZHVWCBMEORRBG-FQEVSTJZSA-N 436.537 2.651 0 50 IFAA CC1CCN(Cc2nnnn2CCCC(=O)N[C@@H](C)c2cnn(-c3ccccc3)c2)CC1 14974375 OFHWZDVEMNBEEF-IBGZPJMESA-N 436.564 2.748 0 50 IFAA CN(Cc1cccc(OC[C@H](O)CN2CCOCC2)c1)Cc1nc2cc(Cl)ccc2[nH]1 15073272 FZJGVPFSYNXQTA-LJQANCHMSA-N 444.963 2.920 0 50 IFAA O[C@@H](COc1c(F)cc(Br)cc1F)CN1CCN(c2ccccn2)CC1 15724545 QVUWGZAONKROAU-CQSZACIVSA-N 428.277 2.684 0 50 IFAA O=C1[C@@H]2CC[C@@]3(Br)C(=O)[C@@]4(Br)CC[C@]1(Br)[C@H]4[C@@H]23 71786603 ZUTQDYLILJFSLV-XHBNEGHWSA-N 426.930 2.989 0 50 IFAA C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 252539450 NZXOREWKYIFEQI-AWAHEQQVSA-N 440.632 2.879 0 50 IFAA CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2cccc(C)c2Br)cc1 471466555 XEEJVGUMSTWVNE-UHFFFAOYSA-N 439.331 2.555 0 50 IFAA Cn1cc(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)cn1 1857699806 ZACAHSNPKWYFKL-HXUWFJFHSA-N 432.590 2.681 0 50 IFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](c2nc(C3(N)CCC3)no2)C(C)C)c1 1875253281 ZDAUYYSWYVXSQP-KRWDZBQOSA-N 449.577 2.565 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)nc4cc(F)ccc34)CC2)c(C)c1 1875259871 TXDWSZJYWYJUNI-UHFFFAOYSA-N 443.500 2.843 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1CCn2cncc2C1 1875288305 WKVPAALTOANBLM-JKSUJKDBSA-N 428.500 2.554 0 50 IFAA O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2[nH]nc(I)c2c1 2325854119 OOVAETBDVSOJFM-LLVKDONJSA-N 435.221 2.737 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc1 2786406 KBYBARVBCGTAKY-FQEVSTJZSA-N 427.570 2.745 0 50 IFAA Cc1cccc(N2CCN(Cc3cnc(S(C)(=O)=O)n3CC3CCCCC3)CC2)n1 12302804 LKHKFUHYAVGMBF-UHFFFAOYSA-N 431.606 2.893 0 50 IFAA COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 12612097 DQMVVNKUHHXWRT-CYBMUJFWSA-N 437.495 2.547 0 50 IFAA Cc1ccc(/C=C2\SC(=O)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 13573584 XSRYDZWLLDURSQ-ATVHPVEESA-N 445.522 2.708 0 50 IFAA O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1 14731489 NFKGUNYLCMLCRM-VQTJNVASSA-N 437.519 2.820 0 50 IFAA COc1ccccc1[C@@]1(CC(=O)N2CCCC[C@H]2c2nccs2)CC(=O)N(C)C1=O 14879889 KFQPVVQQRPANKX-AOMKIAJQSA-N 427.526 2.922 0 50 IFAA Cc1cccc(S(=O)(=O)Nc2nsc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c1 241775952 RQPDCKZKVIQGSD-UHFFFAOYSA-N 439.563 2.704 0 50 IFAA CCCNC(=O)CCCC(=O)O[C@H]1CCCC[C@@H]1OC(=O)CCCC(=O)NCCC 252484496 FXQCBKRNTGQMIR-ROUUACIJSA-N 426.554 2.777 0 50 IFAA Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(CN4CCOC4=O)cc3)CC2)c(C)o1 827946179 UOWGYAQCFYNRJQ-UHFFFAOYSA-N 426.473 2.839 0 50 IFAA COCCc1noc([C@@H]2CCCCN2S(=O)(=O)c2cc(C(=O)O)ccc2Cl)n1 1506431440 KKTHEWQZHXNOIM-ZDUSSCGKSA-N 429.882 2.526 0 50 IFAA Cc1noc(-c2ccc(S(=O)(=O)N3CCC[C@]4(CCc5cnc(N)nc54)C3)o2)c1C 1704312704 JERRYDDUFYLVOY-FQEVSTJZSA-N 429.502 2.592 0 50 IFAA O=C(CCn1ccccc1=O)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857736200 ZPXBYJWOHIGCLE-UHFFFAOYSA-N 430.508 2.908 0 50 IFAA CS(=O)(=O)N(CC(=O)NCCSc1ccccn1)c1cccc(C(F)(F)F)c1 6348646 OTIIQKHFOYPIBA-UHFFFAOYSA-N 433.477 2.775 0 50 IFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)[C@@H]2CCC(=O)N2)O3)c1 12001219 FMMDFYSOPKYTIB-QAPCUYQASA-N 430.888 2.723 0 50 IFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)[C@@H]1CCCN(c3ccccn3)C1)CC2 14533222 RYUACSZCJFGHQW-GOSISDBHSA-N 437.544 2.666 0 50 IFAA CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)Cc2cccc(F)c2F)CC1=O 14539906 MBJSOWGPBWFETP-LJQANCHMSA-N 431.483 2.815 0 50 IFAA Cc1nc(C(=O)NC[C@@H]2CCC3(CCN(Cc4cccc(OCCO)c4)CC3)O2)cs1 14879528 JLBAFJTVMLMLDP-FQEVSTJZSA-N 445.585 2.766 0 50 IFAA CCN1CCC[C@H]1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 14978421 WKBKZFFMNSTCKU-SFHVURJKSA-N 429.561 2.689 0 50 IFAA CN(C)CCNC(=O)c1ccc(OC2CCN(CCCn3cccn3)CC2)c(Cl)c1 15074824 IXDHSSNKEVFGBI-UHFFFAOYSA-N 433.984 2.761 0 50 IFAA O=C1NCCN(C2Cc3ccccc3C2)[C@H]1CC(=O)N1CCC(Cc2ccccc2F)CC1 19110546 RGGSYNKIVAUHPR-VWLOTQADSA-N 449.570 2.965 0 50 IFAA C[C@@H](NC(=O)c1ccccc1CN1CCOCC1)c1cc(F)ccc1N1CCN(C)CC1 170591187 JDNYXYVHOPMXQD-LJQANCHMSA-N 440.563 2.901 0 50 IFAA Cc1ccc(CNC(=O)c2nnc(CN[C@H]3CCCC[C@H]3N3CCOCC3)s2)cc1 170607323 CANHCYARAAUXHR-RBUKOAKNSA-N 429.590 2.510 0 50 IFAA CC(C)(C)c1cc(NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)n(-c2ccccn2)n1 170618505 VTTZLRKDJHMHPC-UHFFFAOYSA-N 435.410 2.901 0 50 IFAA CCOC(=O)C1=C(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@H]1CC 245263600 AYRZSPSDYXEGOS-WMZOPIPTSA-N 429.517 2.893 0 50 IFAA C[C@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)c1ccc(OC(F)F)cc1 468728179 ZEACRLVZTBIHIB-ZDUSSCGKSA-N 425.457 2.727 0 50 IFAA Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1 481138379 ICHVHICYCNXZSL-DEOSSOPVSA-N 434.496 2.698 0 50 IFAA O=C(Cc1ccnc(O)c1Br)N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 486421442 AYYSUPXZUKIDCE-JTQLQIEISA-N 442.672 2.806 0 50 IFAA COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089697 ZCYXVSXDTNNMFS-QGZVFWFLSA-N 441.484 2.540 0 50 IFAA O=C(N[C@H]1CC[C@H](CN2Cc3ccccc3C2=O)CC1)C1CCN(c2ccc(O)nn2)CC1 1775942436 MUWVMLWKFUJBTF-IRJFHVNHSA-N 449.555 2.730 0 50 IFAA Cn1ccn2ncc(C(=O)N3CCC4(CCc5c(O)nc(-c6ccccc6)nc54)CC3)c12 1857721146 BRMMEZKAMWAIKM-UHFFFAOYSA-N 428.496 2.956 0 50 IFAA NCc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(Br)cc1-n1cnnn1 1875340580 IZUIUBDXVAPXCO-KRWDZBQOSA-N 427.306 2.691 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OC[C@H]3C[N@@]3CC3CC3)cc2)cc1 1875384823 JAPSJQHBCMEMAW-CJFMBICVSA-N 429.542 2.943 0 50 IFAA COc1cccc([C@H](C)S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 2325819532 HUXXBPMTYFXKIE-TXPKVOOTSA-N 430.526 2.812 0 50 IFAA Cc1nocc1C(=O)N=[S@]1(=O)CCCN(C(=O)COc2ccc(Cl)c(F)c2)CC1 2332238626 FXCNKBKLQHHZGP-LJAQVGFWSA-N 443.884 2.695 0 50 IFAA COc1ccc(CNCCn2ccnc2C)cc1OC[C@@H](O)CN(C)Cc1ccccc1 11820395 SJYKJHBPDGFLRI-QHCPKHFHSA-N 438.572 2.862 0 50 IFAA CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cn3cc(C)ccc3n2)CC1 12299532 QTMPBEBNCWOPFQ-HXUWFJFHSA-N 425.577 2.876 0 50 IFAA COc1ccc(S(=O)(=O)NCCN(C)c2ccccc2)cc1C(=O)N1CCCCC1 13646291 VKIGMALJKUEZDV-UHFFFAOYSA-N 431.558 2.736 0 50 IFAA COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(Cc2ccccn2)C3)cc1 14537063 JGBLHXKQMIXOJQ-UHFFFAOYSA-N 431.540 2.980 0 50 IFAA CO[C@@H](C(=O)N1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1)c1ccccc1 14539266 JDECRZJEWZWMAM-HSZRJFAPSA-N 432.524 2.906 0 50 IFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)CC[C@]2(Cc3cccs3)CCC(=O)N2)C1 19143342 XFOYFPYXXVFSJY-AOMKIAJQSA-N 428.558 2.575 0 50 IFAA CC1=C(C)C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@@H](C(=O)O)C1 19632762 INCUSDBSWJWDFB-MSOLQXFVSA-N 440.949 2.620 0 50 IFAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C(=O)N1c1ccccc1F 229654163 JKBMCKGAWQMYHU-QNFHRHJVSA-N 425.847 2.910 0 50 IFAA O=C(CNS(=O)(=O)c1ccc(Br)cc1Cl)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 241383175 MTAXDTYAUUUWEA-PVFTVIPPSA-N 433.755 2.542 0 50 IFAA O=C1CCc2cc(S(=O)(=O)N3C[C@@H]4CC[C@H]3CN(Cc3ccccc3)C4)ccc2N1 952972680 HLPUIXHHCTYIQX-QUCCMNQESA-N 425.554 2.856 0 50 IFAA Cc1cc(-n2cccn2)ccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1305409753 KRRBRLMTRBFDOX-YADHBBJMSA-N 434.496 2.569 0 50 IFAA O=C(c1ccc2ncnn2c1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857701588 RBCWURKOSYBYHP-OAQYLSRUSA-N 447.539 2.968 0 50 IFAA COc1cc2nn[nH]c2cc1C(=O)Nc1cc(C)c(F)cc1C(=O)NCC(F)(F)F 1875263654 MTTVDOVWTQUQDD-UHFFFAOYSA-N 425.342 2.958 0 50 IFAA O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NCc1ccccc1)c1ccccc1 1782753 OCAWQFIVEVCIOW-NHCUHLMSSA-N 447.443 2.839 0 50 IFAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1 2871241 ADUBNERKVPXFIG-UHFFFAOYSA-N 426.878 2.773 0 50 IFAA O=C1CCCN1CCCN1C(=O)CC[C@@H]2CN(Cc3cc4c(cc3Cl)OCO4)CC[C@@H]21 11909157 OAUYVWWKEHILRK-APWZRJJASA-N 447.963 2.894 0 50 IFAA O=C(c1cccc(OC2CCN(C(=O)c3cc(C4CC4)on3)CC2)c1)N1CCOCC1 12112345 KQEBPKDNATVFHZ-UHFFFAOYSA-N 425.485 2.708 0 50 IFAA COCCN(Cc1cc2cc(OC)c(OC)cc2nc1N1CCOCC1)C(=O)C(C)C 14994162 FCXACPBFJUSTTF-UHFFFAOYSA-N 431.533 2.720 0 50 IFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 67629944 JQTISMGFTNJXCY-UHFFFAOYSA-N 448.493 2.518 0 50 IFAA COCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)O)c1 170592910 RWICPSNDWMFVBT-UHFFFAOYSA-N 430.276 2.973 0 50 IFAA COCCNc1nc(O)c2c(n1)NC(=O)[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C2 253537588 ROABUNGYJKTIIV-VIFPVBQESA-N 440.287 2.687 0 50 IFAA C[C@H](C(=O)N1CC2(CC2)C[C@H]1CNC(=O)c1cc2nn[nH]c2cc1F)c1cccc(O)c1 1875360014 WJXVPYVQTVFNHX-ZFWWWQNUSA-N 437.475 2.717 0 50 IFAA COC(=O)c1[nH]c2ccc(F)cc2c1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 1429306 NHKZREURNYJQIS-UHFFFAOYSA-N 435.458 2.808 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)CC1 4001775 WQNDIRUMUDOFHT-UHFFFAOYSA-N 431.514 2.710 0 50 IFAA CC(=O)Nc1ccc(NC(=O)CSc2nnc(C[C@H](C)O)n2-c2ccccc2)cc1 8705737 ATTVNSZHPCHADY-AWEZNQCLSA-N 425.514 2.880 0 50 IFAA COc1cccc(CNC2CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC2)c1OC 11912763 IOSVVRKIXBHVGX-UHFFFAOYSA-N 439.556 2.935 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCCn1ccc2ccccc21 19837784 DDRVAZNZBGTTGB-OAQYLSRUSA-N 442.922 2.941 0 50 IFAA Cc1cc(OCC(=O)NCCNC(=O)c2nc(-c3ccccc3F)no2)ccc1Cl 20352448 PGVKJIBGNQCCNS-UHFFFAOYSA-N 432.839 2.763 0 50 IFAA COCCn1c(Cc2cccc3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 253393048 OTMBDXYHAGDLJZ-LJQANCHMSA-N 428.558 2.682 0 50 IFAA COC(=O)C1=CC[C@@]23CC[C@@H]([C@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@]3(OC(C)=O)CC1 257562101 VDGOFNMYZYBUDT-IGXREUDHSA-N 432.469 2.871 0 50 IFAA biogenic O=C(c1ncn2c1CO[C@H](c1ccc(F)cc1)C2)N1CCC(C(=O)N2CCCC2)CC1 263618183 RRCHCHYJTVYBNL-FQEVSTJZSA-N 426.492 2.768 0 50 IFAA COc1cc2cc(CNCCn3cncn3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC 299783549 ZHGPWIWKDHKOPB-UHFFFAOYSA-N 433.512 2.757 0 50 IFAA Cc1cs/c(=N\c2ccc3c(c2)OCCO3)n1[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1875256803 AGELSOGCSWPFPF-QCEKEIELSA-N 436.555 2.770 0 50 IFAA Cc1ncncc1C(=O)N1CC[C@@]2(CCCCN(C(=O)c3cc(C(C)(F)F)n[nH]3)C2)C1 1875322657 ZTVRQVFTRZBDEM-OAQYLSRUSA-N 432.475 2.778 0 50 IFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)nc(OC)n1 730699 ONFXUMNMGGBOJJ-UHFFFAOYSA-N 435.506 2.749 0 50 IFAA CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 784361 OJDLMRUJWRTBPE-UHFFFAOYSA-N 449.960 2.644 0 50 IFAA Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2658100 HJGDJBZYDUQVIG-UHFFFAOYSA-N 449.540 2.808 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCc3sccc3C2)c(C)c1C 12299130 FPVQWOLCNSRRMX-IBGZPJMESA-N 427.570 2.649 0 50 IFAA CCOc1ccc(CCNS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)cc1OCC 12412201 ABJLSJJFVOVFJM-UHFFFAOYSA-N 447.557 2.504 0 50 IFAA CCCN(C[C@@H]1CCCO1)C(=O)C[C@]1(c2ccccc2C)CC(=O)N(CCCOC)C1=O 12571014 HPEZVWDZRQDPOW-NBGIEHNGSA-N 444.572 2.836 0 50 IFAA O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 14981716 WEADQPYOOFBMOK-GOSISDBHSA-N 434.496 2.661 0 50 IFAA CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 137966395 ZWDYXNOEIUTSHH-SMOZNVCYSA-N 435.549 2.982 0 50 IFAA O=C1C[C@@H](c2cccc(NC(=O)N[C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c2)CN1 470396032 CEMCDAIPGMNGMZ-OXQOHEQNSA-N 442.466 2.881 0 50 IFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2c(C)oc3c2C(=O)CCC3)cc1OC 1529119527 JKDQYWQMFPMQMK-DENIHFKCSA-N 429.469 2.699 0 50 IFAA CCc1nn(C)c(NC(=O)NCC(=O)NCc2ccccc2)c1-c1ccc2c(c1)OCO2 1875256180 OFMHQLPVYIDBBG-UHFFFAOYSA-N 435.484 2.816 0 50 IFAA CCOc1ccc([C@H](C)NS(=O)(=O)c2cc(Br)cnc2N)cc1OC 1875265500 IALYWVYGOKTGLT-JTQLQIEISA-N 430.324 2.873 0 50 IFAA C[C@@H](CCCN=c1[nH]c(C(C)(C)C)nc(=N)[nH]1)NC(=O)c1cncc2ccc(F)cc12 1875334918 KDXGGCIUTJAGRM-ZDUSSCGKSA-N 425.512 2.701 0 50 IFAA CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 951738 KYIWLCVIVOVHDH-COPLHBTASA-N 425.201 2.575 0 50 IFAA COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 1073147 MODDRWRYAUAGMV-UHFFFAOYSA-N 440.905 2.831 0 50 IFAA CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(CC)C(=S)N2Cc2cccnc2)cc1 5947769 UHYPIOWMTIYXGJ-SFHVURJKSA-N 440.525 2.605 0 50 IFAA O=C1C[C@](CC(=O)N2CCCC[C@H]2CO)(c2ccccc2)C(=O)N1Cc1cccs1 11964336 STAHAKFEWOPUFQ-FDDCHVKYSA-N 426.538 2.709 0 50 IFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1c(C)n(C)c3ccc(O)cc13)C2 14744328 RTRJOVZYKJWTJP-UHFFFAOYSA-N 435.528 2.843 0 50 IFAA O=C(Cn1cc(NC(=O)CCOc2ccccc2)cn1)NC[C@H]1OCCc2ccccc21 14992416 XIBSEHYPWBVMDS-JOCHJYFZSA-N 434.496 2.721 0 50 IFAA O=S(=O)(N(c1ccc(Br)cc1)S(=O)(=O)C(F)(F)F)C(F)(F)F 67800042 CDBVDEJPHAYIMV-UHFFFAOYSA-N 436.149 2.955 0 50 IFAA O=S(=O)(Nc1nnc(CCc2ccco2)[nH]1)c1cccc(I)c1 170609085 RRCHITRWFWHVEL-UHFFFAOYSA-N 444.254 2.588 0 50 IFAA COC[C@]1(C)N=C(O)N([C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1=O 328594888 FNYDCEHSCKZHGN-KUHUBIRLSA-N 438.322 2.723 0 50 IFAA CN(C)CCCn1nc(-c2cccc(N3CCCC3)n2)nc1CCCCN1CCOCC1 1875341182 JVAGPPCCYCNTRW-UHFFFAOYSA-N 441.624 2.547 0 50 IFAA Cc1cc(CC(=O)N=S2(=O)CCC3(CC2)C[C@@H](NC(=O)[C@]2(C)C=CCC2)CCO3)no1 2332238333 LJNYOGBZXMHTIL-YSQLYOQWSA-N 449.573 2.704 0 50 IFAA COCCCN1C(=O)/C(=C\c2cnn(C)c2)N=C1SCC(=O)Nc1ccc(C)cc1C 2786043 UREKAHSPIACBQR-YBFXNURJSA-N 441.557 2.984 0 50 IFAA Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N2CCOCC2)c2sccc23)c1 8589425 UUFXAVYQCCJGAI-UHFFFAOYSA-N 429.527 2.625 0 50 IFAA C[C@@H]1C[C@@H](C(=O)NCc2nc(NC3CCCC3)c3cc(Cl)ccc3n2)NC(=S)N1 12218688 PEOKXSYOKCAYEW-BZNIZROVSA-N 432.981 2.879 0 50 IFAA COC(=O)c1[nH]c2cc(OC)ccc2c1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1 12371440 HFMKUPZLJOCZKP-UHFFFAOYSA-N 433.467 2.667 0 50 IFAA CCN(CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1COC 12572957 CHCAFVDTGDVBSW-UHFFFAOYSA-N 434.544 2.646 0 50 IFAA CCN1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 14978417 WKBKZFFMNSTCKU-GOSISDBHSA-N 429.561 2.689 0 50 IFAA COC(=O)c1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)[nH]1 498519080 QFVOOHZYNOQUDB-FQEVSTJZSA-N 438.484 2.826 0 50 IFAA COCCN1C[C@@H](C(=O)N(Cc2ccc(F)cc2)Cc2ccc3c(c2)OCO3)CC1=O 824411968 RLPDIJOMYINDDL-SFHVURJKSA-N 428.460 2.578 0 50 IFAA CCc1ccccc1NC(=O)CCC(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 1529168659 KDOUXJUVIMXTJG-KRWDZBQOSA-N 432.546 2.779 0 50 IFAA CN(C)C(=O)C[C@H]1CN2C[C@H](NC(=O)c3cccc(-c4cccc(F)c4)c3)C[C@H]2CO1 1857724889 RAPCXPYANUATCN-FSSWDIPSSA-N 425.504 2.543 0 50 IFAA O=C(NC[C@H]1CCCCN1)c1sccc1S(=O)(=O)N1CCc2cc(F)ccc2C1 1875305170 JTISLAFCFBUOHF-QGZVFWFLSA-N 437.562 2.506 0 50 IFAA CSc1nc(C(F)F)cc(N2CCC[C@]3(NC(=O)c4nccnc4N)CCC[C@H]23)n1 1875334788 DZTJMXIGJBLKPF-HXPMCKFVSA-N 435.504 2.830 0 50 IFAA CCC(CNC(=O)c1cc(-c2cccnc2)on1)CNC(=O)c1cc(-c2cccnc2)on1 2325725733 ZOVHJNJAHQHILK-UHFFFAOYSA-N 446.467 2.973 0 50 IFAA Cn1ccnc1[C@H]1CCCN1C(=O)CCSCCC(=O)N1CCC[C@@H]1c1nccn1C 2325730266 HYBZXOTUYDJWMO-QZTJIDSGSA-N 444.605 2.694 0 50 IFAA COc1ccc(Nc2nc(C(=O)N[C@](C)(COc3ccccc3)C(N)=O)cs2)cc1 2325850163 NVKFCZNGEXHJJO-OAQYLSRUSA-N 426.498 2.948 0 50 IFAA CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccc(OC)cc1 9392290 QOKYVFFCKGDTHG-LJQANCHMSA-N 437.543 2.568 0 50 IFAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)c2cc(C)n(C)n2)C1 12708823 YZUUUJWTDPIOEX-FQEVSTJZSA-N 427.593 2.653 0 50 IFAA COCCn1c(C(=O)OC)c(NC(=O)c2ccco2)c2cc(N[C@H](C)C(C)(C)O)cnc21 14539340 JYQBAPJRYRWMKF-CYBMUJFWSA-N 444.488 2.886 0 50 IFAA O=S(=O)(c1cccs1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 19633416 XNEBQNGQTWOCPB-UHFFFAOYSA-N 441.383 2.750 0 50 IFAA Cc1ccc(S(=O)(=O)NCCCC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 19865108 YHLJTFYIMBJHBB-LJQANCHMSA-N 434.514 2.823 0 50 IFAA COC(=O)[C@H]1CCCCN1C(=O)C1CCN(c2nc(C)c3ccc(OC)cc3n2)CC1 20270803 QCKUALGZNFVGIM-HXUWFJFHSA-N 426.517 2.717 0 50 IFAA O=C1CCCCN1CCC(=O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55283886 ZJMOEOFSDPZQNV-OAQYLSRUSA-N 432.996 2.856 0 50 IFAA CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O 229897131 ZTJBMVGUEXXISD-LVXARBLLSA-N 446.551 2.797 0 50 IFAA CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 242287982 YKAHGHBLXKJBIU-WMZOPIPTSA-N 435.933 2.730 0 50 IFAA COc1ccc(OC[C@H]2CCCN(C(=O)COc3ccc(N4CCCC4)nn3)C2)cc1 299782592 FUHKLSMYWQGZGG-SFHVURJKSA-N 426.517 2.782 0 50 IFAA O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2ccccc2CN1C(=O)CCCn1cncn1 746848254 TVXNXKPKOFKFQZ-QFIPXVFZSA-N 435.503 2.510 0 50 IFAA CN(CCNC(=O)c1ccnc(Br)c1)C(=O)c1ccnc(Br)c1 783732829 IEAIKOLPBOVABN-UHFFFAOYSA-N 442.111 2.504 0 50 IFAA CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@H]3c2cccc(Br)c2)CC1 823117508 DSWJCVDPBOVFFA-AWEZNQCLSA-N 432.322 2.561 0 50 IFAA COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)NOCCOC(C)C)c2C)c1 952886959 FHQJBMSFGCGEHH-HXUWFJFHSA-N 432.521 2.937 0 50 IFAA COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)NC[C@@H](O)C(F)(F)F)C(=O)OC2 1857532219 TWWWRUAKAABLOO-CQSZACIVSA-N 431.407 2.688 0 50 IFAA CCc1nc(C)cc(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 1857666898 ODYVDGNRDYELOP-HXUWFJFHSA-N 428.508 2.762 0 50 IFAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 1857683553 JHPQDJZQBDFUEP-MRXNPFEDSA-N 426.494 2.712 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccc(C(=O)O)cc1)C2 1857687210 RFWPJWJNDPYBPD-PQNGQFLHSA-N 430.545 2.641 0 50 IFAA O=C(O)c1cncc(-n2cc([C@@H](NC(=O)c3cncc(F)c3)c3ccc(F)cc3)nn2)c1 1875324898 NMDVYZLZCUPDTJ-IBGZPJMESA-N 436.378 2.553 0 50 IFAA Cc1cc(-c2cn([C@H]3CCCN(C(=O)c4cccc(-c5nc(=O)o[nH]5)c4)C3)nn2)cnc1F 1875361549 VGDFAHXHQICFKK-KRWDZBQOSA-N 449.446 2.608 0 50 IFAA Cc1cnc2c(S(=O)(=O)N[C@@H](C)CC(=O)Nc3ccc(CN)c(F)c3)cccc2c1 2325843203 YRLZCKICWCXRNP-AWEZNQCLSA-N 430.505 2.837 0 50 IFAA CCN=c1[nH]cnc2cc(C(=O)N[C@@](C)(C(=O)O)c3cccc(Br)c3)ccc12 2325851598 DHPAUJCPDLAPPU-HXUWFJFHSA-N 443.301 2.976 0 50 IFAA CS(=O)(=O)N1CCO[C@@H](CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CCCC2)C1 2356163297 XBCZYVZVLQQZFR-AWEZNQCLSA-N 435.373 2.582 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1C 1050693 QHTNILFSMCDUDU-UHFFFAOYSA-N 446.525 2.814 0 50 IFAA Cc1cc(C)cc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1 2495586 FPUMLNPRZCQJCC-UHFFFAOYSA-N 442.541 2.506 0 50 IFAA Cc1cc(C(=O)NCc2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)n(C)n1 12034537 XLONWRXCLJGCAC-KRWDZBQOSA-N 426.546 2.569 0 50 IFAA CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N[C@H]3CCOC3)c21 12098016 XYJDVXSXUUXTJY-HNNXBMFYSA-N 428.514 2.684 0 50 IFAA O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@H](n2cnnn2)CN1C1C2CC3CC(C2)CC1C3 12244350 VHEOJWVVZUEPJH-HYCRCJHNSA-N 438.551 2.611 0 50 IFAA CCS(=O)(=O)c1ncc(CN2CCC(C(=O)N3CCCC3)CC2)n1Cc1ccccc1 12433425 IVENFRJDQHDIPZ-UHFFFAOYSA-N 444.601 2.559 0 50 IFAA CCn1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)c1C 12746004 XOKIBURGXYEAFA-HSZRJFAPSA-N 433.556 2.680 0 50 IFAA CCN(CC)CCN(CC)[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 23353621 BDRAWSPWUHQZGT-HXUWFJFHSA-N 433.641 2.533 0 50 IFAA CN1CCN(c2cc(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ncn2)CC1 72442538 HCMHRBXDHHPWOB-UHFFFAOYSA-N 442.567 2.858 0 50 IFAA CN(C(=O)COc1ccc2occ(C(=O)c3cccs3)c2c1)[C@@H]1CCS(=O)(=O)C1 170625291 QCGGWPIBIVTLDC-CYBMUJFWSA-N 433.507 2.750 0 50 IFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 426198468 JIOJWPXXGJJMIR-YSEBXJKWSA-N 431.939 2.866 0 50 IFAA Cc1nn(C)c(C)c1CN(Cc1cnc(NS(=O)(=O)c2ccccc2)nc1)C1CC1 952990538 YKPIQFJHNRXPSP-UHFFFAOYSA-N 426.546 2.792 0 50 IFAA O=S(=O)(Nc1ccc(Oc2cccnn2)cc1)c1ccc(N2CCCS2(=O)=O)cc1 1875354812 PMLPQMPCKSBORA-UHFFFAOYSA-N 446.510 2.610 0 50 IFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Br)c1O 706413 KPZLXCIQQVWELB-NHYWBVRUSA-N 441.278 2.513 0 50 IFAA biogenic CCN(C[C@H]1CCCO1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 11786359 MXVSVYBLWLOAPC-ATIYNZHBSA-N 449.551 2.739 0 50 IFAA C[C@]1(C2CCN(C(=O)c3cccc(F)c3F)CC2)NC(=O)N(Cc2ccncc2)C1=O 11787584 GJQIFARGOXESMM-JOCHJYFZSA-N 428.439 2.723 0 50 IFAA COc1cc(CNCCn2cc(C(=O)Nc3ccccc3C)nn2)cc(OC)c1OC 14989760 NWJOEVDAMBZNPY-UHFFFAOYSA-N 425.489 2.654 0 50 IFAA C[C@H]1CCc2c(sc(NC(=O)CSCC(=O)O)c2C(=O)NCc2cccnc2)C1 17098522 DFWKXKREQGJVBM-LBPRGKRZSA-N 433.555 2.954 0 50 IFAA CC(C)(C)[C@H](CNC(=O)Cc1ccc2c(c1)OCO2)NC(=O)Cc1ccc2c(c1)OCO2 225623857 JXRNISPKOJKJFC-NRFANRHFSA-N 440.496 2.576 0 50 IFAA Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)c1 328592435 IGBKSJJXRWZNJR-DFQSSKMNSA-N 430.574 2.673 0 50 IFAA CC(=O)N1CCC(CC(=O)N2CCc3ccccc3C2)(N2Cc3ccccc3C2=O)CC1 952963418 RGMIHINTCJWVJE-UHFFFAOYSA-N 431.536 2.999 0 50 IFAA C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)Nc4ccc(CS(N)(=O)=O)cc4)cn1c23 1875316654 FSMXKSHXMFWDMV-LBPRGKRZSA-N 429.473 2.689 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCC[C@H]4c4ccccc4)ccc3C2=O)C(=O)N1 2325896893 JTEAVNJBVKIXOH-VQTJNVASSA-N 432.480 2.817 0 50 IFAA CCCOc1ccc(-c2nc3s/c(=C4\C(=O)N(CC)c5ccccc54)c(=O)n3n2)cc1 2313950 YOXQKSKMVBGVGW-HNENSFHCSA-N 432.505 2.891 0 50 IFAA C[C@H]1CCc2c(sc(NC(=O)c3c(I)cnn3C)c2C(N)=O)C1 2780882 DSDAXOYCNDQJFV-ZETCQYMHSA-N 444.298 2.562 0 50 IFAA CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN(c2nc(C)c3ccc(OC)cc3n2)C1)C(=O)OC 11789039 FMEOKMASXOQVMB-UVFQYZLESA-N 428.533 2.867 0 50 IFAA CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2 11995393 GKBQCBHVPJENBP-OAQYLSRUSA-N 443.573 2.843 0 50 IFAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2cc(OC)ccc2OC)CC1 12300835 BXIBTQLGEJAVOX-QFIPXVFZSA-N 434.577 2.612 0 50 IFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1cn(C)c3ccccc3c1=O)CC2 14745445 SXKRFPQQHWDLJF-UHFFFAOYSA-N 434.496 2.520 0 50 IFAA CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)CN1CCC[C@@H](c3ccccc3)C1)CC2 14754098 QICUZOJQOMWDGC-OAQYLSRUSA-N 449.599 2.807 0 50 IFAA CC(=O)N1CCCN(Cc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)CC1 15063606 ZMCRNBMCDJRSPT-DEOSSOPVSA-N 425.573 2.613 0 50 IFAA COc1cccc(CNC(=O)CN2C(=O)N[C@@H](c3ccccc3Cl)C3=C2COC3=O)c1 169758052 VKFUZUGEUYYCDM-FQEVSTJZSA-N 441.871 2.542 0 50 IFAA O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 225422361 RRMKGXDODDKGHU-DDLLOKISSA-N 434.540 2.925 0 50 IFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3[C@@H]4[C@H]3[C@H]3[C@]15CCN(Cc1ccccc1)CC[C@@]35[C@H]42 253616566 CKKYAHQBURBLEC-RQMOJXQOSA-N 438.531 2.685 0 50 IFAA Fc1cccc(-c2noc([C@]3(C(F)(F)F)CCN(Cc4nnc5n4CCOC5)C3)n2)c1 952892688 ISZNSBMDTCZJPC-SFHVURJKSA-N 438.385 2.703 0 50 IFAA Cc1c(C(=O)N2CCCCN3CCCC[C@H]3CC(=O)NCCC2)cnn1-c1ccccn1 2100533114 ASQDDKVHCPQWFY-FQEVSTJZSA-N 438.576 2.563 0 50 IFAA O=C(N[C@@H]1CN(C(=O)CCc2ccccc2O)CC12CCOCC2)C1Cc2ccccc2C1 2325852900 XMOVQNMVJXHHMC-XMMPIXPASA-N 448.563 2.864 0 50 IFAA CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896383 XKRINYDQVIHZNC-JTHBVZDNSA-N 445.519 2.843 0 50 IFAA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)c(O)c(OC)c1 2074769 GKCGIIOGLCMILN-HNNXBMFYSA-N 443.294 2.713 0 50 IFAA COc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCc2ccc3c(c2)OCO3)c1 3665893 JATGXQNRXIMVFM-XMMPIXPASA-N 447.447 2.938 0 50 IFAA CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cc(C)cc(C)c3)ccc21 4076853 DCBVKOZHBVBMDX-UHFFFAOYSA-N 429.542 2.910 0 50 IFAA COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(OC)c3)o2)cc1 9673823 GIZMTPPWAPISJS-UHFFFAOYSA-N 428.470 2.748 0 50 IFAA CCc1cc(C(=O)N2CCC3(CC[C@H](CNC(=O)c4ccccc4F)O3)CC2)n(C)n1 11839975 ZBPGSTCMRYHNLV-QGZVFWFLSA-N 428.508 2.705 0 50 IFAA Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H](N1CCN(C3CCCC3)CC1)C2 23354215 QHJPIYQAEKSURE-NRFANRHFSA-N 439.579 2.907 0 50 IFAA O=C(CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O)Nc1ccc2c(c1)OCO2 169758054 WSNYUTHXTLLGOO-IBGZPJMESA-N 441.827 2.585 0 50 IFAA C[C@@H](O)CC(C)(C)CNS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 170591781 UNSABAWDEYVIBX-QGZVFWFLSA-N 426.579 2.752 0 50 IFAA O=C(Nc1cnn(CCN2CCOCC2)c1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 225480160 BZDLGPBXLKSTGA-UHFFFAOYSA-N 435.315 2.960 0 50 IFAA CCOc1ccc(C=c2sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1OC 254683034 OHQPFVSNZFVSEC-UHFFFAOYSA-N 437.477 2.698 0 50 IFAA COc1ccccc1OCCN1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1 263588540 VLTNUQHTMFVYJE-UHFFFAOYSA-N 427.545 2.616 0 50 IFAA Cc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c(OC[C@H]2CCCO2)c1 471116170 LIMIDGCRXQPFGP-CQSZACIVSA-N 443.518 2.896 0 50 IFAA Cc1ccc([C@H](NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccn2)cc1 472036595 YKLVAEUNYRLZDR-UMBQZNGKSA-N 430.508 2.586 0 50 IFAA CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NC1CCN(c2cccc(F)c2)CC1 1323055442 PJGGKLARRNQZNL-UHFFFAOYSA-N 444.532 2.505 0 50 IFAA COc1cc(-c2onc(N(C)C)c2C(=O)NC[C@H](O)CN2CCCCCC2)ccc1F 1704307884 LKJKLFWXWRVADE-INIZCTEOSA-N 434.512 2.522 0 50 IFAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)C3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)C[C@@H]21 1704311942 GIAJBQWYQWNPRM-WSUBETFTSA-N 444.572 2.956 0 50 IFAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1 2325889002 MMSWGUSVUPRZGM-NRFANRHFSA-N 434.540 2.944 0 50 IFAA COc1ccc(-n2c3c(cc(C(=O)N[C@@H]4CCSC4=O)c2=O)C(=O)CC(C)(C)C3)cc1 1151526 HLULIJKZZMYKOV-QGZVFWFLSA-N 440.521 2.763 0 50 IFAA COc1cc(/C=C(\NC(C)=O)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC(C)=O 1232610 OZLKRNRFDXXLJY-ODLFYWEKSA-N 425.441 2.695 0 50 IFAA CCOC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)nn1C 2748043 HBCKBRLSSDTUQB-UHFFFAOYSA-N 442.497 2.958 0 50 IFAA O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1c(F)cc(F)cc1Br 2940387 LQBMWPZVAKYIIZ-XRQRDNCTSA-N 425.229 2.863 0 50 IFAA COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2cccnc2)C3)cc1 14534503 CGFNTMBVBCVEOQ-UHFFFAOYSA-N 445.523 2.620 0 50 IFAA CCN(CCN(C)C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1COC 14961809 JZLKGMUTGYWDRY-UHFFFAOYSA-N 434.544 2.598 0 50 IFAA CN1[C@@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(C(=O)CCl)c1ccc2c(c1)OCO2 199863327 LEJBMGACYZQJNK-ZHRRBRCNSA-N 426.856 2.889 0 50 IFAA C[C@H](C(=O)NCCNC(=O)c1cccc(Br)c1)n1ccc2ccccc2c1=O 225749120 FAYZOQPONKUERY-CQSZACIVSA-N 442.313 2.871 0 50 IFAA COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)N5CCCC5)CC4)c3CO2)cc1 263618273 SAQFQLDKMCZJMD-NRFANRHFSA-N 438.528 2.638 0 50 IFAA CCc1ccc(CN2C[C@@H](NC(=O)c3ccc(-n4cccn4)cc3)C[C@H]2C(=O)OC)cc1 299763546 XMWPWWSHIUFXPI-GMAHTHKFSA-N 432.524 2.981 0 50 IFAA Cc1cc(C)nc(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 334160817 MXKRWDIHDODKDL-LJQANCHMSA-N 442.566 2.891 0 50 IFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc(Br)c1O 4156463 IPMQQBDJBJNGQA-ZDUSSCGKSA-N 431.308 2.697 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccccc1 8934293 KWWOHFKDLUFRGW-CKNGIZQFSA-N 434.517 2.807 0 50 IFAA COc1cccc(CO[C@H]2CN(Cc3cnn(C)c3)CC(=O)N(CCc3ccccc3)C2)c1 14531393 YUONTMLBMZTFGL-VWLOTQADSA-N 448.567 2.901 0 50 IFAA O=C(NCCCO)c1cn(C2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)nn1 14991696 CFCZWAGRKXSUQT-UHFFFAOYSA-N 431.540 2.799 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2c(F)cccc2F)CC3)cc1 20774115 IXSHMPPJTLRKIF-UHFFFAOYSA-N 441.482 2.596 0 50 IFAA CO[C@H](C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1)c1ccccc1 170610479 SZYLQAZHZACGDS-IBGZPJMESA-N 427.505 2.860 0 50 IFAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6ccc(OC(C)=O)cc6)C(=O)[C@H]54)[C@H]23)cc1 245257392 ZGOYGPMYIGGZBU-FSYJOVACSA-N 446.459 2.795 0 50 IFAA Cn1c([C@@H](Cc2ccccc2)NC(=O)CCCNC(=O)c2cnccn2)nc2ccccc21 252488959 JCUAXNKSWFGDGJ-HXUWFJFHSA-N 442.523 2.974 0 50 IFAA COc1ccccc1CNC(=O)c1ccc(NC(=O)c2cc3c(O)nc(C)cn3n2)cc1 263617641 OVJIWPKQSQWFAS-UHFFFAOYSA-N 431.452 2.934 0 50 IFAA Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)[C@H]2CC(=O)OC24CCCCC4)CC3)n1 299776257 MDOZHIMOVUIPBW-WOJBJXKFSA-N 439.556 2.901 0 50 IFAA CC[C@@H]1CN(CC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)Cc2cc(OC)ccc2O1 299789835 ADTOCOHFBKCQSY-PKOBYXMFSA-N 440.544 2.523 0 50 IFAA O=C1CC[C@@H]2CN(C(=O)[C@@H]3CN(Cc4nc(O)c5ccccc5n4)CCO3)c3cccc1c32 468637509 JAXINQPFTWFDDI-VFNWGFHPSA-N 444.491 2.643 0 50 IFAA CCNS(=O)(=O)c1ccc(CNc2ncnc3c2cnn3-c2ccccc2F)cc1 1458236000 FQCGTEUUUXMDGT-UHFFFAOYSA-N 426.477 2.865 0 50 IFAA COc1csc(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)c1OC 2325866780 ZTBIJQNWIXZGAW-LLVKDONJSA-N 439.511 2.648 0 50 IFAA O=C(NC[C@H]1CC2(CCOCC2)CN1C(=O)c1ccc2cc(O)ccc2c1)c1cccnn1 2332239594 VRBDIVKOOFLTFC-HXUWFJFHSA-N 446.507 2.777 0 50 IFAA COc1cccc(OC[C@H](O)CNC(=O)CCN2Cc3cc(Cl)ccc3O[C@@H](C)C2)c1 2356096813 CTIALYMXHDXQIM-QFBILLFUSA-N 448.947 2.878 0 50 IFAA C[C@@]1(C2CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccncc2)C1=O 12184510 ZWDLXNRPLAJSIU-QHCPKHFHSA-N 442.466 2.652 0 50 IFAA COC(=O)COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC 16448187 RVSYMWZYRUKDNL-HXUWFJFHSA-N 425.441 2.514 0 50 IFAA Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 65363202 DNWLSFJBLSBONP-UHFFFAOYSA-N 428.493 2.574 0 50 IFAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4cccc(Cl)c4C)c2=O)CCCCC3)no1 169764019 JSZNKVCLLSGUPD-UHFFFAOYSA-N 443.891 2.695 0 50 IFAA CC(C)(C)OC(=O)N1CC(O)(CNC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)C1 225852881 FZVQUPIKHRGORE-UHFFFAOYSA-N 435.912 2.688 0 50 IFAA CC(C)(C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)c1csc(-c2ccccc2F)n1 432884014 LULCODKHVVBEJQ-CYBMUJFWSA-N 425.551 2.767 0 50 IFAA CCC[C@H](C)C(=O)NCCNC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C 482311239 IARPYAYOTZCAGI-HNNXBMFYSA-N 445.564 2.559 0 50 IFAA Cc1cc(S(=O)(=O)NC(=O)c2cnn(C)c2-n2cccc2)cc(Br)c1C 740606215 UNDOFYDJTVQRBK-UHFFFAOYSA-N 437.319 2.709 0 50 IFAA O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)N1CC[C@](O)(c2nc(C3CC3)no2)C1 763833673 PXDDKCSZSNDNNL-HYDGNGQDSA-N 430.408 2.700 0 50 IFAA CCOC(CC(=O)N1CC[C@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1)OCC 952892323 GTNBHRDJIVMMAP-SFHVURJKSA-N 428.411 2.953 0 50 IFAA O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 2325816946 WICJVXNHAMPPPO-PMACEKPBSA-N 447.318 2.971 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1c1ccc(OC)cc1 831266 XATLBWUBRVJJAV-JKALPCAWSA-N 438.480 2.556 0 50 IFAA COc1cccc(OC[C@@H](O)CNC(=O)CCN2Cc3cc(C)ccc3O[C@H](C)C2)c1 15000650 TWHNVDDEDQZRBK-QUCCMNQESA-N 428.529 2.533 0 50 IFAA CCc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3cc(OC)ccc3OC)CC2)cc1 16400398 OKQPMTWQEBYRAE-UHFFFAOYSA-N 449.598 2.970 0 50 IFAA CN1CCN([C@H](c2ccc(Br)cc2F)c2sc3ncnn3c2O)CC1 252484710 GFGDUVDIIJYEGC-CYBMUJFWSA-N 426.315 2.735 0 50 IFAA COc1ccc(-c2cc(=NC(=O)c3ccccc3F)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158088 NQBIWRLQUHXVEF-OAHLLOKOSA-N 429.473 2.732 0 50 IFAA O=C1CCN(c2ccccc2C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)C(=O)N1 1704336988 OXPFQVVIEUKKDS-UTKZUKDTSA-N 444.491 2.669 0 50 IFAA O=C(NC1(C(=O)NCc2cccc(-c3nc[nH]n3)c2)CCCC1)c1ccc2n[nH]cc2c1 1875258868 CRURLMRFNPGGBD-UHFFFAOYSA-N 429.484 2.707 0 50 IFAA O=C(NCc1ccccc1OCCO)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 1875327614 BPFYIIAFACWSGY-UHFFFAOYSA-N 430.464 2.652 0 50 IFAA C[C@H](Cc1ccncc1)C(=O)N1CCC(Cc2cn(Cc3ccoc3C(=O)O)nn2)CC1 1875356087 SSAPXXBYOWVNQG-MRXNPFEDSA-N 437.500 2.673 0 50 IFAA Cc1ccc(-c2cc(=NC(=O)c3cccc(NC(=O)CSc4nncn4C)c3)[nH][nH]2)cc1 2325728601 FWFHAYMBDDVXHE-UHFFFAOYSA-N 447.524 2.919 0 50 IFAA O=C(N[C@H]1CCCN(C(=O)c2c[nH]nc2C2CCCCC2)C1)[C@H]1CCC2(CCOCC2)O1 2325829961 XCAUQWDWKFARRE-AZUAARDMSA-N 444.576 2.906 0 50 IFAA COc1ccc(NC(=O)C[C@H]2CS(=O)(=O)C[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 8781399 PJRAYPJPBFRIPC-HOTGVXAUSA-N 446.525 2.722 0 50 IFAA CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc(OC)cc2)NC(=O)c2ccccc2)CC1 8829320 CXQPJALCTARFCS-FXBPSFAMSA-N 437.496 2.767 0 50 IFAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCOc2cccnc2)C[C@@H](C)O1 11818993 MLEZSRQACGCHRW-IYBDPMFKSA-N 443.935 2.801 0 50 IFAA CCN1CCN(C(=O)c2cc(NC(=O)C3CCCCC3)cc3ncn(CCOC)c23)CC1 12243942 TYTJMWWBFBAVLR-UHFFFAOYSA-N 441.576 2.979 0 50 IFAA Cc1cnc(C(=O)N2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)cn1 12443340 LXXUVLMRYAUSOK-UHFFFAOYSA-N 431.496 2.794 0 50 IFAA CC(C)CN1C[C@@H](C(=O)NCCCN(C)C)C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C1 14746575 XVNQERYRWQBAEI-FCHUYYIVSA-N 428.621 2.776 0 50 IFAA CC(C)n1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(=O)c(C(=O)NC(C)(C)C)c1 14986716 DRVXLFARQFTRBL-LJQANCHMSA-N 438.572 2.962 0 50 IFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 17099032 IYVNSIOLSDVAQT-VQTJNVASSA-N 434.558 2.584 0 50 IFAA COC(=O)Cn1cc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c2ccccc21 19782033 HNBQOBWXBMFPHI-QFIPXVFZSA-N 436.556 2.587 0 50 IFAA Cc1ccccc1[C@@]1(CC(=O)N2CCN(C(C)C)CC2)CC(=O)N(Cc2ccncc2)C1=O 20455469 ZDNLPSLIXFWILH-AREMUKBSSA-N 448.567 2.530 0 50 IFAA COc1ccc2[nH]cc(CCNC(=O)CC[C@H]3NC(=O)N(Cc4ccccc4)C3=O)c2c1 206254224 WCVRVQMWNNQTQY-OAQYLSRUSA-N 434.496 2.736 0 50 IFAA CCN(CC)C(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 239164807 MYIJCHMIRGSJHK-PBHICJAKSA-N 436.350 2.661 0 50 IFAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)Nc3ncc(C)s3)N=C2O)cc1OC 252533000 FRHHSEPRFZDSFH-CQSZACIVSA-N 432.502 2.555 0 50 IFAA CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253499815 OTLJDTMBQKLRPK-ZWVDKIGKSA-N 448.556 2.715 0 50 IFAA biogenic CN1CCC(n2ccc(NC(=O)C(=O)Nc3ccccc3CN(C)c3ccccc3)n2)CC1 328596539 AWTAEMKVSCVGRE-UHFFFAOYSA-N 446.555 3.363 0 50 IFAA CC(C)c1nnc(N2C[C@H](C(=O)NC3CCN(CCc4ccccc4)CC3)CC2=O)s1 1857728052 LEGRILNOZBDKKZ-GOSISDBHSA-N 441.601 2.838 0 50 IFAA O=C(NCCC[C@H](NC(=O)C1(n2cncn2)CC1)c1ccccc1)c1nc(Cl)cs1 1875354847 QPELPLCTXBOMNQ-HNNXBMFYSA-N 444.948 2.945 0 50 IFAA O=C1N=C(NS(=O)(=O)N2CCCC[C@H]2CC2(C(F)(F)F)N=N2)C(=C(Cl)Cl)N1 2084443326 FPHGTNWYLDWHGW-LURJTMIESA-N 449.242 2.558 0 50 IFAA COC(=O)c1cc(=NC(=O)C(=O)N[C@@H](c2ccccc2Cl)C2CCCCC2)[nH]n1C 2325819030 OCTADNDITKGSAW-GOSISDBHSA-N 432.908 2.658 0 50 IFAA CC(C)[C@H](CNC(=O)c1occc1-c1ccc(F)c(F)c1)NC(=O)[C@@]1(C)CCN(C)C1=O 2325827694 NMAVQODYRTWDII-FDDCHVKYSA-N 447.482 2.964 0 50 IFAA CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 2961992 MVJZAMMYJFNBNC-OAHLLOKOSA-N 433.530 2.764 0 50 IFAA O=C(COc1ccccc1)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2 8951542 NOMIMWNSISPWEH-CQSZACIVSA-N 448.566 2.561 0 50 IFAA CCOC(=O)N1CCC(NC(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)CC1 12589220 MJHGMBAFNYFELR-UHFFFAOYSA-N 443.544 2.817 0 50 IFAA COc1cccc(CNCC[C@H]2CCC(=O)N2C[C@H](O)COc2cccc(OC)c2)c1 15003535 ZAIQXDPEGUBARO-UXHICEINSA-N 428.529 2.614 0 50 IFAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCc3ccc(F)cc3)cc2)CC1 15069602 WBHXUVBMBGNQBK-JOCHJYFZSA-N 430.520 2.740 0 50 IFAA COC(=O)NCCCc1nc(C(C)(C)S(=O)(=O)c2ccc(Br)cc2)no1 241515497 OFVGYRSAOLNRGU-UHFFFAOYSA-N 446.323 2.830 0 50 IFAA Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCN3C3CCCCC3)C2=O)cc1 252510532 ZMXUHZICUKVDSH-YKSBVNFPSA-N 426.561 2.675 0 50 IFAA C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 1295396872 DVXAHOCYJMPQBK-MAODMQOUSA-N 430.476 2.792 0 50 IFAA CCOC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 647769 WNXHLWUTQRCDSP-UHFFFAOYSA-N 440.905 2.930 0 50 IFAA COc1ccccc1C(=O)N/C(=C/c1ccc(Br)cc1)C(=O)NCCC(=O)O 2953189 WEYSIQTZCWWOOC-FOWTUZBSSA-N 447.285 2.820 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(N3CCN(c4ccccc4OC)CC3)CC2)cc1 6198798 UDAYSEYUKIIZFL-UHFFFAOYSA-N 445.585 2.679 0 50 IFAA O=C(N[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1ccco1 8868242 YHEJQEMBXIXYIJ-CQSZACIVSA-N 437.252 2.923 0 50 IFAA COc1ccc(NC(=O)c2cn(CCNC(=O)c3ccccc3C(F)(F)F)nn2)cc1 12022668 PJWXGHQBULCCBS-UHFFFAOYSA-N 433.390 2.988 0 50 IFAA COc1cc2c(cc1OC)CN(S(=O)(=O)c1cc3oc(=O)n(C)c3cc1Cl)CC2 12428006 LVUBYLVKRWEZCF-UHFFFAOYSA-N 438.889 2.549 0 50 IFAA COc1ccc(CCN2C(=O)N(CCN(C)C)C(=O)C23CCN(CC(C)(C)C)CC3)cc1 14742496 INWWVOAVKPEDJU-UHFFFAOYSA-N 444.620 2.944 0 50 IFAA COc1cccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)n2)c1 44917813 NOOAXMUPXFUTRY-UHFFFAOYSA-N 438.915 2.921 0 50 IFAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n1 72434286 PNPDMFZDJPUDRM-UHFFFAOYSA-N 430.940 2.938 0 50 IFAA CC(C)c1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1 100115516 HBFYQGVZVRTRBP-NRFANRHFSA-N 435.524 2.988 0 50 IFAA COc1cccc(CNC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)c1 169758051 VKFUZUGEUYYCDM-HXUWFJFHSA-N 441.871 2.542 0 50 IFAA Cc1cc(C[C@H](C)NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)n(-c2ccccc2)n1 448447943 LRZIVYFPAHGIOT-OWJWWREXSA-N 431.496 2.596 0 50 IFAA CCc1cc(N2CCC(NC(=O)[C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)CC2)ncn1 480147021 UXBQMVYDMSCNIV-FQEVSTJZSA-N 435.572 2.985 0 50 IFAA COC(=O)c1nc(-c2ccc(C)cc2)oc1S(=O)(=O)N1CCN(c2ccccc2)CC1 824216722 PAZHOVGMGPYXII-UHFFFAOYSA-N 441.509 2.948 0 50 IFAA C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccnn2C)cc1 1875371310 WSSGBQPEBJJRCV-IBGZPJMESA-N 439.516 2.979 0 50 IFAA CCCN1C[C@H](C(=O)N=[S@](C)(=O)C2CCN(C(=O)C[C@H]3CC=CCC3)CC2)CC1=O 2332238461 AFNJVEPTVMLKJL-RAZKKESJSA-N 437.606 2.607 0 50 IFAA C[C@H](C(=O)N1CCC([S@](C)(=O)=NC(=O)[C@@H]2CC23CCC3)CC1)N(C)CC(F)(F)F 2332239178 ZONGZKBTQACHKQ-BOWJYTNOSA-N 437.528 2.675 0 50 IFAA N=C(NC(=O)OCc1ccccc1)N(CCC[C@H](N)C(=O)O)C(=O)OCc1ccccc1 4536326 YPUMRXRWHYQIPH-SFHVURJKSA-N 442.472 2.678 0 50 IFAA O=C1N[C@@](c2ccccn2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1C[C@@H]1CCCO1 11995396 HNDAROMBKCTVHZ-SQJMNOBHSA-N 434.540 2.920 0 50 IFAA CCOC(=O)c1n[nH]cc1CN(CCOC)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12302194 QNQATVBXBUPPFG-IBGZPJMESA-N 440.588 2.914 0 50 IFAA O=C([C@@H]1CCCO1)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1 20778916 LKFAQVXOZPGDPZ-QHCPKHFHSA-N 425.529 2.500 0 50 IFAA CC(C)[C@@H](C(=O)O)N1CC[C@H](NC(=O)CN(Cc2ccccc2)Cc2ccccc2)C1=O 479005881 IAYHNIATANGMPT-GMAHTHKFSA-N 437.540 2.515 0 50 IFAA CS(=O)(=O)c1nc2ccccc2n1CCN1c2cccc3cccc(c23)S1(=O)=O 498082934 WOOMGVOXZQJKRA-UHFFFAOYSA-N 427.507 2.802 0 50 IFAA O=C(NS(=O)(=O)c1ccc2c(c1)CCC2)c1cn2c(Br)cnc2s1 815898518 HZZGLQBMOQWZEE-UHFFFAOYSA-N 426.317 2.766 0 50 IFAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N=[S@](C)(=O)C1CCN(C(=O)c2cccc3c2COCC3)CC1 2332238902 PFKSREVIULEUAC-FPIHYULYSA-N 448.585 2.802 0 50 IFAA COc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1OC 1065062 YZYANWLTEVWRTM-UHFFFAOYSA-N 443.266 2.830 0 50 IFAA O=C(Cn1nnc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)n1)N1CCOCC1 1111801 JIJMGIOLNPTQLS-UHFFFAOYSA-N 447.417 2.797 0 50 IFAA CCS(=O)(=O)Nc1cc(C(=O)N2CCC[C@H]2CO)c2c(c1)nc(-c1ccccc1)n2C 11785095 QZDVCGZLHRKWPP-KRWDZBQOSA-N 442.541 2.599 0 50 IFAA Cc1ccc2c(CC(=O)NC[C@H]3CCC4(CCN(C(=O)C5CC5)CC4)O3)cc(=O)oc2c1 11786779 IVQONFQHEPAPFX-LJQANCHMSA-N 438.524 2.710 0 50 IFAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1ccc(F)cc1F)CC2 11971871 LKDXZCRDZQEJQG-YXMMZVCTSA-N 430.455 2.957 0 50 IFAA COc1cc(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)c(OC)cc1Cl 13496789 PSJJIAKRYWLVHS-UHFFFAOYSA-N 429.951 2.534 0 50 IFAA O=CN1CCN(Cc2ccc(OCC[C@H]3CCCCN3C(=O)c3cccnc3)cc2)CC1 14990731 NGYYTBZMMAATBF-HSZRJFAPSA-N 436.556 2.819 0 50 IFAA Cc1ccc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1C 20455285 ZQVSBWUEWMCMKV-UHFFFAOYSA-N 433.556 2.691 0 50 IFAA O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCN(Cc2ccccc2)CC1 20760446 CLVGYEFGQKPNHQ-UHFFFAOYSA-N 431.540 2.580 0 50 IFAA biogenic CCOc1ccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)C(=O)C(F)(F)F)cc1 239310419 IKBUZJDGSJVNQY-UGDFAFBOSA-N 434.414 2.991 0 50 IFAA COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2CCCN21 247938931 HVGKNCXAETYDEW-GKAYAJSDSA-N 437.883 2.780 0 50 IFAA COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CCN(C/C=C/c1ccco1)CC2 299781144 DDZDNQDEIPAXMY-QTWIXLPOSA-N 442.512 2.747 0 50 IFAA O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 433575724 OJMMKUITVLHGEC-HBTLOVQCSA-N 430.504 2.804 0 50 IFAA C[C@@]1(c2ccc(CNC(=O)N[C@H]3c4ccccc4CC34CCOCC4)cc2)NC(=O)NC1=O 460360577 DUPMGRGZLPCZSJ-RDPSFJRHSA-N 448.523 2.635 0 50 IFAA O=C(N=c1ccn(-c2cccc(C(F)(F)F)c2)[nH]1)N[C@H]1CCN(C(=O)c2ccncc2)C1 1875258756 YHZDBZTZLUERMW-INIZCTEOSA-N 444.417 2.744 0 50 IFAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)CC1 1875371463 BRLDKYRTDNKWOG-VQTJNVASSA-N 427.545 2.930 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)N(CCO)C(=O)[C@H](c2ccc(C)cc2)C2CC2)cc1 2325841618 BKYTWOKAPKDATM-OAQYLSRUSA-N 430.526 2.657 0 50 IFAA Cc1cccc2c1CCCN2C(=O)Nc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325901790 YGOHLTKSDANPDB-FQEVSTJZSA-N 432.480 2.741 0 50 IFAA Cc1noc(C)c1[C@H](C)C(=O)N=S1(=O)CCC2(CC1)C[C@@H](NC(=O)C(C)C)CCO2 2332238413 RZNLFPMYYPBXSI-FUKBNNPKSA-N 439.578 2.873 0 50 IFAA Cc1cc(C)nc(N2CCC[S@](=O)(=NC(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)CC2)n1 2332238652 GXVNUALAYSKVEA-FZEVHQGJSA-N 449.621 2.725 0 50 IFAA Cc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c(C)c1 893973 XJGPZDJOPCATPX-UHFFFAOYSA-N 442.541 2.506 0 50 IFAA CCc1cc(CNC(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)on1 12575579 WWUBYSYJTNEPEV-UHFFFAOYSA-N 441.937 2.623 0 50 IFAA CCOc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1 14994621 RZLBKDOCTSUOEQ-IBGZPJMESA-N 449.555 2.991 0 50 IFAA O=C(NCCc1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2)c1ccoc1 19742071 BMBNAOLVYYWOTQ-RGEXLXHISA-N 425.920 2.982 0 50 IFAA CCCN1CCC(N2C[C@H](NCc3cccc(C(F)(F)F)c3)C[C@H]2C(=O)NC)CC1 23338660 PXYPRWLLCUQTBS-QUCCMNQESA-N 426.527 2.858 0 50 IFAA O=C(CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1COC2=O)Nc1ccc2c(c1)OCO2 169758978 UOHUFSSVKJELAF-IBGZPJMESA-N 441.827 2.585 0 50 IFAA CCOC(=O)[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1c(C)nn(-c2ccccc2)c1C 225668144 FTVYTCPPWLJDCC-SJLPKXTDSA-N 438.450 2.846 0 50 IFAA COC(=O)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)cc1 239432770 WJJKXBNBEFDEDD-ZRGWGRIASA-N 440.349 2.716 0 50 IFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)O)CC2)cc1 245228048 ZVSUWYAOTPHDHM-FFZOFVMBSA-N 436.574 2.924 0 50 IFAA COc1ccccc1N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263618081 RDVHHWVHYONEEP-NRFANRHFSA-N 437.475 2.660 0 50 IFAA CCn1cc(C(=O)N2CCCC[C@@H]2c2nc(CCOC)no2)c(=O)c2ccc(C)nc21 952972497 PSDNQLBAGRLKQJ-QGZVFWFLSA-N 425.489 2.664 0 50 IFAA COc1cc(OCCN(C)C)ccc1NC(=O)c1cc(Br)c2c(c1)nnn2C 1875349518 AIIKUUQSKSOHAY-UHFFFAOYSA-N 448.321 2.932 0 50 IFAA CO[C@@H](C)CC(=O)N1CCC([S@@](C)(=O)=NC(=O)C2=Cc3cc(F)ccc3OC2)CC1 2332238708 ISRSAIIUBUPTSJ-NGFNCXNUSA-N 438.521 2.642 0 50 IFAA CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2nnc(NC(C)=O)s2)nc1C 2881977 GIWPDHRYXWFMHD-SECBINFHSA-N 429.549 2.948 0 50 IFAA O=C(NCc1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccccn1 12048494 WFSXTNPFACDAOQ-UHFFFAOYSA-N 446.433 2.560 0 50 IFAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N(C)CCCN(C)C)c3C)n2)c1 12217651 LRUGPVJSMUQUPT-UHFFFAOYSA-N 438.532 2.679 0 50 IFAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)Cn1cc3ccccc3n1)CC2 14533276 JNYLUNXACVTEEF-UHFFFAOYSA-N 442.523 2.568 0 50 IFAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1nccs1)CC2 14733127 NIOXGGRUSRKWLV-UHFFFAOYSA-N 444.557 2.597 0 50 IFAA O=C(Cn1cc(NC(=O)CCOc2ccccc2)cn1)NC[C@@H]1OCCc2ccccc21 14992413 XIBSEHYPWBVMDS-QFIPXVFZSA-N 434.496 2.721 0 50 IFAA C[C@H]1CN(Cc2cccc(CNC(=O)CCN3C(=O)[C@H](C)Oc4ccccc43)c2)CCO1 227618617 YCQBONVKNRSCMH-OALUTQOASA-N 437.540 2.728 0 50 IFAA O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 239038793 DYBDTIJRCPYMPG-NGJUTTHESA-N 435.451 2.976 0 50 IFAA Cc1c(C)[n+]([O-])c([C@H](c2ccc(Br)cc2)C2C(=O)OC(C)(C)OC2=O)n1C 263587202 DHXJZRXJRHVJHY-CQSZACIVSA-N 437.290 2.622 0 50 IFAA O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1C[C@@H](c2ccccc2)c2ccccc21 436272801 SQQSOWDUQXYNQA-FQEVSTJZSA-N 425.496 2.914 0 50 IFAA CC[C@@H]1C[C@@H](CC(=O)N=[S@]2(=O)CCCN(C(=O)c3cc(Cl)n(C)n3)CC2)CCO1 2332238432 VABSDCZWHIDLDZ-YPLATFLCSA-N 444.985 2.509 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccccc3-n3cnnc3)CC1)OCC2 2356134186 CFEOXWWPZASWHF-UHFFFAOYSA-N 434.496 2.989 0 50 IFAA CC[C@H](OC(=O)c1cc(C)nc2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 781750 ZQZGCRWOTGTEOC-IBGZPJMESA-N 427.482 2.765 0 50 IFAA COc1ccc(CCNC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C)cc1OC 1438651 DCFAZVDOHYHSNQ-CQSZACIVSA-N 427.526 2.790 0 50 IFAA Cc1cc(C)n(C[C@@H](C)N2CCC(N3CCC(C(=O)NCc4cccnc4)CC3)CC2)n1 11820460 UTUPLQGFCDYWJN-OAQYLSRUSA-N 438.620 2.776 0 50 IFAA C[C@@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2 11976943 DICVABDUUDQSQN-MRXNPFEDSA-N 430.984 2.509 0 50 IFAA COc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 12184497 XKKFLCRQWFCMTM-QFIPXVFZSA-N 434.544 2.867 0 50 IFAA O=C(CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NCc1nc(-c2ccccc2)no1 12328701 HHXBPDXBVLBXSY-DEOSSOPVSA-N 448.479 2.753 0 50 IFAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccco1)CC2 14538057 DOLKSXAHFNSDMM-UHFFFAOYSA-N 427.501 2.734 0 50 IFAA COc1cccc(-c2nc(C(=O)N3CCN(c4ncccn4)CC3)nn2-c2ccccc2)c1 15108437 XBPWQVGICFGKPU-UHFFFAOYSA-N 441.495 2.695 0 50 IFAA Cn1ccnc1CN1CCN(C(=O)CN2Cc3ccccc3O[C@H](c3ccccc3)C2)CC1 23128988 OTNXUXNIJSXGLB-DEOSSOPVSA-N 445.567 2.700 0 50 IFAA Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCN2CCOCC2)cc1 33927501 BNROTWAQEKDXGW-LTGZKZEYSA-N 427.932 2.868 0 50 IFAA Cc1ccn2cc(CNC(=O)N3CCNC(=O)[C@H]3c3cccc(Br)c3)nc2c1 499094889 GATGMKGGLHCGAB-GOSISDBHSA-N 442.317 2.788 0 50 IFAA CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@H](O)c3ccc(Cl)cc3F)cc2)CC1 813473309 GSXZBOUFTQQHKZ-OAQYLSRUSA-N 433.911 2.858 0 50 IFAA O=C(c1cn(CC[C@@H]2CCCCN2)nn1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1506404459 DPMXTMCXMOWFJH-KRWDZBQOSA-N 425.512 2.846 0 50 IFAA COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1120777 HEQZKIBJTUEGCD-UHFFFAOYSA-N 443.569 2.832 0 50 IFAA O=C(CCn1cnc2ccccc21)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1 11935375 RUGSSBYSRMVALX-UHFFFAOYSA-N 437.588 2.752 0 50 IFAA COc1cc(CNCCc2cnccn2)ccc1OC[C@H](O)CN(C)C1CCCCC1 12594102 CTFCVCCVGKRRCW-JOCHJYFZSA-N 428.577 2.822 0 50 IFAA Cc1cnc(SCc2ccccn2)nc1[C@H]1CCCN(C(=O)[C@H](C)N2CCOCC2)C1 15000346 PXFXBEXFRKJKBC-OALUTQOASA-N 441.601 2.899 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)CC1 16447617 YEJJXQCZMVTAFR-UHFFFAOYSA-N 430.526 2.883 0 50 IFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C32CC2)c1=O 104552297 GOHZYJLLGGYEMR-WOIUINJBSA-N 431.536 2.783 0 50 IFAA O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C(=O)N(c5ccccc5F)C(=O)[C@H]34)[C@H]2C(=O)N1c1ccccc1F 245240523 ZAOKSCPLTUYESP-SSYCLKDWSA-N 434.398 2.692 0 50 IFAA N=c1nc([C@H]2CCCN(C(=O)c3cnc4scc(-c5ccccc5)n4c3=O)C2)cc[nH]1 1875255904 GSMINSOHFGJSCN-HNNXBMFYSA-N 432.509 2.645 0 50 IFAA O=C(NC[C@H]1CCC[C@H]1N1CCCS1(=O)=O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875330803 ZXUOXLOIFUIYLC-CZUORRHYSA-N 431.480 2.912 0 50 IFAA COC(=O)[C@H](CNC(=O)[C@@H](O)c1ccccc1I)CC1CCCC1 2325823246 LITLIWJPPCYRCD-BBRMVZONSA-N 445.297 2.810 0 50 IFAA O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 1117292 TWDZEEMHKACJST-KBXRYBNXSA-N 448.475 2.932 0 50 IFAA Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCN(C=O)CC4)c3C3CC3)n2)c(C)s1 12279207 OUHXTAIKMYQWPW-UHFFFAOYSA-N 436.541 2.799 0 50 IFAA COc1cccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cn3nc4ccccc4n3)C2)c1 12747957 FUEDZLJVWQIXAB-SFHVURJKSA-N 435.528 2.775 0 50 IFAA CCCCc1c(O)nc(S[C@@H]2CC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)nc1O 100120596 FPGIEPAUANAEKH-OAHLLOKOSA-N 445.497 2.831 0 50 IFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(N(C)C)c4)ccn3n2)c1 169777092 ASWLYISVCBQOAG-UHFFFAOYSA-N 431.496 2.668 0 50 IFAA CSCC[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)c1nc2ccccc2n1C 252572644 ZRADKWXRKADSHY-GOSISDBHSA-N 425.558 2.619 0 50 IFAA COc1ccc([C@@H](CNC(=O)N2CCN(C3CCOCC3)CC2)N2CCCCC2)cc1 475978143 RVHMCWJRNCRAKM-HSZRJFAPSA-N 430.593 2.728 0 50 IFAA COCc1ccc(CNC(=O)COC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 919080876 NMDPMADIMDXQSP-UHFFFAOYSA-N 448.401 2.906 0 50 IFAA Cc1cc(=NC(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)nc2nc(C(F)(F)F)[nH]n12 1322438315 NWKFLJISOUSSSQ-CQSZACIVSA-N 447.483 2.584 0 50 IFAA O=C(NC[C@H]1CCCCN1)c1cc(Cl)ccc1S(=O)(=O)N1CCc2ccccc2C1 1875305255 NSIAWYVMJIGTIH-LJQANCHMSA-N 447.988 2.959 0 50 IFAA Cc1cccc(Cn2c3c(=O)[nH]c(=O)n(C)c3n3c(-c4c(F)cccc4Cl)nnc23)c1 10965143 TZXMVVZKNPSUHG-UHFFFAOYSA-N 438.850 2.887 0 50 IFAA COc1ccc(CCC(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)cc1 11841964 ZFSMVBVEXQIRND-IBGZPJMESA-N 425.533 2.583 0 50 IFAA CC(C)(CN1CCN(C(=O)c2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)cc1 12381808 ZVSVCYZFVPZLOK-UHFFFAOYSA-N 435.977 2.855 0 50 IFAA CCOC(=O)Nc1ccc(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)cc1OC 12413608 ZOBJYKPPCVKEEM-UHFFFAOYSA-N 448.501 2.563 0 50 IFAA COc1ccc(-c2noc(CN3CCN(c4cccc(C)n4)CC3)n2)c(OC)c1OC 12581978 ANEDEKNYKROLRF-UHFFFAOYSA-N 425.489 2.788 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cc(F)ccc1F)C2 14740533 GMNJWSUANSTHJD-GOSISDBHSA-N 432.515 2.937 0 50 IFAA COc1cccc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1OC 19608251 ONJJGZJQRFRDLC-UHFFFAOYSA-N 430.501 2.688 0 50 IFAA COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccccc3OCCO)C2)CC1 19841595 MOLRVHFTZQILKH-QFIPXVFZSA-N 425.573 2.853 0 50 IFAA O=C(CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1)NCC1CC1 45789183 KVKRYMGBWCAHHK-KRHYTXONSA-N 443.584 2.983 0 50 IFAA in-vitro C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC1(c2cccc(F)c2)CCCCC1 170614598 SVZLVFYHCGABKS-QFIPXVFZSA-N 445.535 2.759 0 50 IFAA O=C(NCCCCO)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 225628704 AVATUMZSJZRHKJ-UHFFFAOYSA-N 427.320 2.752 0 50 IFAA C[C@@H]1CN(CCCNC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@@H](C)O1 229569309 MEBYILFTARBJIG-OAGGEKHMSA-N 427.467 2.674 0 50 IFAA C[C@H]1CN(C[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2Br)C[C@@H](C)O1 229656570 ZPSQBQIRCKGMAU-VNHYZAJKSA-N 435.359 2.851 0 50 IFAA Cc1cccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccccc5)no4)c3C2=O)c1C 263615668 DOKOHTFHRZGRHD-UHFFFAOYSA-N 443.467 2.706 0 50 IFAA COc1ccc(CCNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1OC 263617068 LXJJEXMHYUGQJJ-HXUWFJFHSA-N 426.448 2.678 0 50 IFAA NC(=O)c1cn(C2CCN(C(=O)Nc3ccnc(Oc4ccc(F)cc4F)c3)CC2)nn1 1310661654 VQMRPRDSTGMXBM-UHFFFAOYSA-N 443.414 2.712 0 50 IFAA O=C1NCc2ccccc2[C@@H]1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 2325877589 VIFPCUZFLKKFTK-PKTZIBPZSA-N 425.488 2.741 0 50 IFAA O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc2c(c1)OCO2 807297 WMTFACHPQOGPQZ-UHFFFAOYSA-N 440.477 2.911 0 50 IFAA CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(C)=O)CC2)cc1 4414479 WKUNAASXPSEKHQ-UHFFFAOYSA-N 425.485 2.793 0 50 IFAA CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)OC)c(Cl)c2)cc1 6480573 CDKJUNGXRLDXNO-UHFFFAOYSA-N 427.862 2.869 0 50 IFAA COc1ccc(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3Cl)C2)c(C)c1 11873815 BCOVBXTUARXATQ-AWEZNQCLSA-N 425.938 2.983 0 50 IFAA Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)n1 15671279 OIDOOGFLOQVGRU-UHFFFAOYSA-N 429.590 2.903 0 50 IFAA CCCC(=O)N1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 299770141 QPVRMAMCLDXARE-RDPSFJRHSA-N 445.535 2.877 0 50 IFAA O=C1CCOC2(CCN(Cc3cnc[nH]3)CC2)CN1Cc1cc2c(cc1Cl)OCO2 1704313940 UATBEWKSHDRZCY-UHFFFAOYSA-N 432.908 2.576 0 50 IFAA COc1ccc(-c2nc(C(=O)NS(=O)(=O)c3cn(C)nc3C(F)(F)F)c(C)o2)cc1 1875255130 VKGJZUCHKVAMFE-UHFFFAOYSA-N 444.391 2.530 0 50 IFAA C=CC(=O)N1CCC(C(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 1875369602 YDBHXLMIKAFFQX-FQEVSTJZSA-N 427.545 2.889 0 50 IFAA CCc1c(-c2ccccc2)n(C[C@H](O)c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 974285 VHCWXFVSNVGSEN-IBGZPJMESA-N 443.507 2.649 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C(=S)N3CCC(O)CC3)cc2)cc1 3004067 URZZUENRJLVIFO-UHFFFAOYSA-N 434.539 2.545 0 50 IFAA CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1 9269078 FOJACBZUNUMTAY-UHFFFAOYSA-N 429.498 2.952 0 50 IFAA O=C(Cn1nc(Cl)ccc1=O)N(CC1CCN(C2CCCC2)CC1)C[C@@H]1CCCO1 12021774 LYJJJLJRZYNJBP-IBGZPJMESA-N 436.984 2.559 0 50 IFAA CC(C)Cc1cc(C(=O)N2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)no1 14887465 DJDVTRDSHVZEMY-DEOSSOPVSA-N 438.528 2.936 0 50 IFAA COc1ccc2cc(CNCCCN3CCCC3=O)c(N3CCC[C@H](CO)C3)nc2c1 14979092 YFSLUOMUZSQTTM-SFHVURJKSA-N 426.561 2.554 0 50 IFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1Cc1ccc(F)c(F)c1 55281478 HFJGFDLOTVOFID-UWJYYQICSA-N 440.450 2.696 0 50 IFAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72115439 UKHDSRATBJZCEP-UHFFFAOYSA-N 436.438 2.686 0 50 IFAA CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCCc2nnc(-c3ccco3)[nH]2)C1(C)C 170602260 NZBIDGBQSKLTTQ-OYHNWAKOSA-N 447.536 2.822 0 50 IFAA Cn1cnc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCCCC2)c1C(N)=O 170617338 GPWDHTQQJYOMEQ-UHFFFAOYSA-N 426.926 2.932 0 50 IFAA NC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)cc1 253410023 MSVZFXOHLAJRPS-QHCPKHFHSA-N 440.459 2.929 0 50 IFAA biogenic CC(=O)Nc1cccc(N2C(=O)N[C@@H](CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 253410740 NRNVCJJIGAFVPN-NRFANRHFSA-N 447.495 2.690 0 50 IFAA biogenic O=C(CCc1ccccc1)N1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2F)C3)CC1 263616234 HRZSIXUEUJSEDY-XMMPIXPASA-N 449.530 2.966 0 50 IFAA Cc1cnc(N2CCN(c3ccccc3O)CC2)nc1N1CCN(c2ccccc2O)CC1 301486223 HPRKENYAADWPIU-UHFFFAOYSA-N 446.555 2.849 0 50 IFAA COc1cc(C(=O)N=[S@]2(=O)CCCN(C(=O)[C@H]3CCOc4ccccc43)CC2)sn1 2332239157 YLGORPCHIGWXAU-JGVYIQDASA-N 449.554 2.559 0 50 IFAA Cc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)c(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 2519689 YNFAPLJQLPWXCO-UHFFFAOYSA-N 449.554 2.818 0 50 IFAA biogenic COc1cccc(CNCCn2ccc3ccccc32)c1OC[C@H](O)CN1CCOCC1 11938515 CMPPOQZOFSGKHH-JOCHJYFZSA-N 439.556 2.512 0 50 IFAA COc1cccc(OC)c1CN1CCOc2ccc(CN3CCN(C(C)=O)CC3)cc2C1 12023195 WCWNNHFYPUDUPO-UHFFFAOYSA-N 439.556 2.763 0 50 IFAA CCN1C[C@H](CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1=O 12448652 QJOFVWNBQKAJSK-IBGZPJMESA-N 436.556 2.723 0 50 IFAA Cc1ccn(CCC(=O)NCc2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)n1 14959128 NJDZGRYUFRUKAW-LJQANCHMSA-N 440.573 2.809 0 50 IFAA CCc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3c(F)cccc3Cl)CC2)cc1 19831196 HJDMICLCRCWZFX-UHFFFAOYSA-N 446.954 2.914 0 50 IFAA Cc1ccc(OCC(=O)NCCNC(=O)c2nc(-c3ccc(Cl)cc3)no2)c(C)c1 20357051 MWCLGNDQHUIZTI-UHFFFAOYSA-N 428.876 2.932 0 50 IFAA Cc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc(N2CCCCC2)n1 64814538 UMRFPTQBULVPBZ-UHFFFAOYSA-N 437.516 2.564 0 50 IFAA O=C1[C@@H]2CC[C@@]3(Br)C(=O)[C@@]4(Br)CC[C@]1(Br)[C@H]4[C@H]23 71786604 ZUTQDYLILJFSLV-GHNBXFNSSA-N 426.930 2.989 0 50 IFAA O=C(C[C@H](c1ccc2c(c1)OCO2)c1c(O)c2ccccc2oc1=O)NCCc1c[nH]cn1 253470546 FNEOFTWREADZDZ-QGZVFWFLSA-N 447.447 2.831 0 50 IFAA CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 409415249 YAHFNFQPAGKEMR-RTBURBONSA-N 437.496 2.971 0 50 IFAA CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1nnc(C2CC2)s1 888088905 WWUBPWYKPQMUQX-AWEZNQCLSA-N 428.518 2.937 0 50 IFAA COc1ccc(C(=O)[C@H](NCCC(=O)Nc2ccccn2)c2oc(C)cc(=O)c2O)cc1 1776111506 CCCGCSKVDXSQON-FQEVSTJZSA-N 437.452 2.600 0 50 IFAA Cc1cc(CN2CC3(CCN(C(=O)c4cccc5ncccc45)CC3)OCCC2=O)on1 1857736869 PFHKPCLQRJDCLB-UHFFFAOYSA-N 434.496 2.955 0 50 IFAA O=C1CCc2cc([C@@H](O)CCC(=O)N3CCC[C@@H](Cc4nnc5ccccn45)C3)ccc2N1 1875262183 JSIOAIGZBNAFGY-UWJYYQICSA-N 447.539 2.909 0 50 IFAA O=C(N1CC[C@@H](Oc2ccncc2)C1)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 1875264945 AIWCIHPBBROPOT-LJQANCHMSA-N 442.541 2.502 0 50 IFAA COc1cc2[nH]c(C(=O)N3CCN(C(=O)Cc4ccccc4)CC3)cc2c(OC)c1OC 2325702151 QENLXXSQVTXABI-UHFFFAOYSA-N 437.496 2.721 0 50 IFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2cnc3ccc(F)cc3c2)CC1=O 2325819768 PMGIJXHKTXWZTQ-PBHICJAKSA-N 441.484 2.789 0 50 IFAA CC(C)(C)n1ncc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)c1N 2325850147 NHQNIVFRNMEBHD-UHFFFAOYSA-N 430.534 2.839 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCCc5cccc(F)c54)ccc3C2=O)C(=O)N1 2325901473 HPSKKGLLQCVOGT-GOSISDBHSA-N 436.443 2.571 0 50 IFAA CCOc1ccccc1N(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 888978 OJWUWBQQVYVXJF-UHFFFAOYSA-N 425.510 2.992 0 50 IFAA CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)Cc1csc(C)n1)CC2 14749029 KVJDWEGYPRZBKO-UHFFFAOYSA-N 430.452 2.905 0 50 IFAA COCc1c(C(=O)NCCc2ccncc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 14981116 DPNKKCXADWPGNI-UHFFFAOYSA-N 440.507 2.942 0 50 IFAA CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)c(OCC(N)=O)c(OCC)c2)NC(=O)N1 16382578 WRCPSIGVTGPDLG-KRWDZBQOSA-N 439.896 2.574 0 50 IFAA CCCN1CCC(N2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1 20515914 CPQQJLPKLHVQFJ-HSZRJFAPSA-N 428.621 2.872 0 50 IFAA COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1 72437134 QNFBAUZUDHDZLT-UHFFFAOYSA-N 426.908 2.904 0 50 IFAA CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c1 229892721 AYWWNOHXXVIZEQ-HNAYVOBHSA-N 427.998 2.925 0 50 IFAA CC(=O)N1[C@H]2CC[C@@H]1C[C@]2(Cc1cscn1)C(=O)NCc1nc(-c2ccccc2)n[nH]1 1704326205 XRODZYRTXVIXGR-FGSXEWAUSA-N 436.541 2.557 0 50 IFAA O=C(N[C@@H]1CCN(C(=O)COc2ccccc2)C1)c1cc(COc2ccc(F)cc2)on1 1875334090 XPAUJODTPZTBNO-QGZVFWFLSA-N 439.443 2.802 0 50 IFAA O=C(CNc1cccc(-c2cn(C[C@H](O)c3cccc(Cl)c3)nn2)c1)N1CCOCC1 2325776639 FNYXPPDXYDVAOG-NRFANRHFSA-N 441.919 2.603 0 50 IFAA CCS(=O)(=O)c1cccc(C(=O)NC2(CNC(=O)[C@@H]3C[C@H]3Cc3ccccc3)CC2)c1 2325828221 BGHYYVQKTIFJIO-TZIWHRDSSA-N 440.565 2.738 0 50 IFAA Cc1c(Br)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)nn1C 2748012 REVAHISLYWCVTJ-UHFFFAOYSA-N 436.335 2.834 0 50 IFAA COCc1ccc(C(=O)N2CCC([C@H](Cc3ccccc3)N(C)C(=O)CN(C)C)CC2)o1 12217607 NHCWCMCXLWESBW-QFIPXVFZSA-N 441.572 2.910 0 50 IFAA COc1ccc(CCNc2ncnc3sc(C(=O)N4CCC[C@H]4C(N)=O)c(C)c23)cc1 14985129 XGWGPFHXFGDIRH-INIZCTEOSA-N 439.541 2.753 0 50 IFAA CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)Cn2cncn2)CC1 15000541 BJSGEXTZUKFHSG-NRFANRHFSA-N 437.569 2.962 0 50 IFAA O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 18036685 SRJAMQMGSIXOIS-UHFFFAOYSA-N 435.465 2.611 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 19782531 VYCBPIJLGXTPRF-HXUWFJFHSA-N 441.915 2.971 0 50 IFAA CCOc1ccc(N2C(=O)C[C@H](NC3CCN(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1 96307052 ODEGUFVMNIDHPZ-NRFANRHFSA-N 439.487 2.751 0 50 IFAA Cc1sc(NS(=O)(=O)c2ccccc2)nc1C(=O)NC[C@H]1CCCN2CCCC[C@@H]12 229702952 ZMCNYETUWKPMMC-AEFFLSMTSA-N 448.614 3.247 0 50 IFAA COC(=O)CCOc1ccc(NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)cc1 486875887 ALTWWDNWOCIIFG-NRFANRHFSA-N 441.459 2.935 0 50 IFAA O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)c(F)c3)cccc2n1)C1CC1 575631073 QDYVZZJCRDVVQG-UHFFFAOYSA-N 442.516 2.719 0 50 IFAA Cc1[nH]nc(C(=O)N[C@@H]2c3ccccc3C[C@H]2NC(=O)c2c[nH]nc2C(F)F)c1Cl 1875331516 LCLFGDAQPKEVKT-TZMCWYRMSA-N 434.834 2.858 0 50 IFAA Oc1c(-c2nc(-c3ccc(CN4CCCC4)cc3)nn2[C@@H]2CCCOC2)cnc2ncnn12 1875348184 ZZLPVIZGQWZPII-GOSISDBHSA-N 446.515 2.703 0 50 IFAA COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccccc2C)cc1OC 1444553 CUWKQPJKHIQGPG-UHFFFAOYSA-N 445.479 2.668 0 50 IFAA CCOC(=O)c1ccc(NC(=O)CSc2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)cc1 6143998 VVCIFAIXDGDZBC-UHFFFAOYSA-N 447.494 2.899 0 50 IFAA CN(C(=O)Cn1cccn1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccncc2)CC1 11789070 GXPSUORYSKVURY-QHCPKHFHSA-N 431.540 2.900 0 50 IFAA O=C(NCCO)c1cn(C2CCN(Cc3ccc(-c4cccc(Cl)c4)o3)CC2)nn1 12041976 UAAJOCGRSOTVAE-UHFFFAOYSA-N 429.908 2.751 0 50 IFAA Cc1cccc(CNC(=O)c2cnn(-c3nccc(-c4ccc5c(c4)OCO5)n3)c2C)n1 12079817 FJFONHUPNXMSEH-UHFFFAOYSA-N 428.452 3.000 0 50 IFAA COc1ccc(CCc2nnc(CCC(=O)NCCc3cn4ccsc4n3)o2)cc1 12316518 KNBBZOJPGGLZJI-UHFFFAOYSA-N 425.514 2.864 0 50 IFAA COc1ccc(-c2noc(C(=O)NCc3cc(OC)c(OC)c(OC)c3)n2)cc1OC 12371365 HUFCHHFXZTXZTL-UHFFFAOYSA-N 429.429 2.710 0 50 IFAA CN1CCN(CC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)CC1 20472713 XOHCSNDGRJYTBQ-UHFFFAOYSA-N 426.586 2.743 0 50 IFAA O=C(c1ccccc1F)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23358489 ULTCKAFSQYGLIX-IBGZPJMESA-N 425.504 2.977 0 50 IFAA C[C@@H](O)CN1CCN(C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)CC1 170602437 CWAAAWIQAWMERX-GOSISDBHSA-N 433.618 2.708 0 50 IFAA Cn1cc(Br)cc(Nc2ccc(N3CCN(C4COC4)CC3(C)C)cn2)c1=O 219865137 BRLHXSOZWYDUGT-UHFFFAOYSA-N 448.365 2.586 0 50 IFAA C[C@H](CNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1ccccc1 247988408 JLZYPLVYZZMXAJ-MDASCCDHSA-N 429.567 2.900 0 50 IFAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1nnc([C@@H]3CCCO3)s1)C=C2 253413967 WCQJGQQJJJQMGN-HNNXBMFYSA-N 444.513 2.791 0 50 IFAA biogenic COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CCN(CCC(C)C)CC2 299768500 JUPWXVAGZLBOLQ-UHFFFAOYSA-N 427.545 2.946 0 50 IFAA O=C1CCOC2(CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)CN1Cc1cscn1 1704316292 LTSAVHPYLRNGBW-UHFFFAOYSA-N 438.553 2.768 0 50 IFAA CC1(C)CCC[C@@H]1COC(=O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325886902 NECDKLRCNFRWJS-SJLPKXTDSA-N 427.501 2.500 0 50 IFAA O=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1078771 LWXRDJGGFLSGRM-OAHLLOKOSA-N 438.347 2.561 0 50 IFAA COc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc1 1086407 ZMXSDZVQOBVOHV-UHFFFAOYSA-N 426.860 2.936 0 50 IFAA O=C(COc1ccc(N2CCN(c3ccccn3)CC2)nn1)N[C@@H]1CCCc2ccccc21 11872029 UJXHNXHPVXAMGX-OAQYLSRUSA-N 444.539 2.771 0 50 IFAA Cc1c(Cl)cccc1S(=O)(=O)N1CCC(n2cc(C(=O)N3CCCC3)nn2)CC1 12042695 RHJSUCAOUOTUFB-UHFFFAOYSA-N 437.953 2.502 0 50 IFAA CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)CCOc2ccccc2)CC1=O 14532029 RUXXAMCASWBKOA-QFIPXVFZSA-N 425.529 2.763 0 50 IFAA CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1cc(C)nc(C)n1)CC2 14745609 JLUMHOFVAGAGFP-UHFFFAOYSA-N 449.511 2.722 0 50 IFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1=O 15004146 ABZNBOLSWSVRKS-FQEVSTJZSA-N 438.572 2.819 0 50 IFAA CN1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1 19905119 PZDRBSKLFGVVSZ-UHFFFAOYSA-N 441.475 2.675 0 50 IFAA COc1cccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1OC 72436913 DZJWASGASDTCPC-UHFFFAOYSA-N 425.533 2.755 0 50 IFAA COc1ccc(Cl)cc1NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 169752554 BCZCQIWFASCEET-UHFFFAOYSA-N 438.871 2.956 0 50 IFAA Cc1ccc(S(=O)(=O)N2C[C@H](c3cccc(Br)c3)C(C(=O)[C@H]3CO3)=N2)cc1 239433601 YCFBQVVNYQQKNC-IAGOWNOFSA-N 449.326 2.870 0 50 IFAA COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3ccnc(C(=O)O)c3)c2C)c1 432126778 OTBQOFWUKMKSDS-HXUWFJFHSA-N 436.468 2.805 0 50 IFAA Cn1ccc(N2CCC[C@@H](NC(=O)C3(c4ccc(Br)cc4)CCC3)C2=O)n1 460447115 XBHKGVISEXJVPF-MRXNPFEDSA-N 431.334 2.916 0 50 IFAA COc1ccc(C(=O)N2CCO[C@@H](CN3CCC(O)CC3)[C@@H]2c2ccccc2)c(OC)c1 1857733677 UGUKACUZAOONAR-ZEQRLZLVSA-N 440.540 2.743 0 50 IFAA Cc1ccc2ncc(C(=O)NC[C@@H]3CCCN(C(=O)c4cnc5ccc(C)cn45)C3)n2c1 1875254223 OUWDDGAOHIBJIG-SFHVURJKSA-N 430.512 2.881 0 50 IFAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Cc2cnc3ncnn3c2)C1 14958733 VNSPUNWCRROIOL-QFIPXVFZSA-N 441.919 2.735 0 50 IFAA C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccn2)CC1 14994427 HOYIRDHSGPBIDN-IFMALSPDSA-N 448.567 2.826 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 16448217 BGTUNBPFIRGVSW-UHFFFAOYSA-N 430.526 2.663 0 50 IFAA O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NCCN1CCOCC1 19860626 XUFRHWPICGJUIO-UHFFFAOYSA-N 444.454 2.842 0 50 IFAA Cc1cc(C(=O)N2CCc3c(c(C(=O)N4CCCC4)nn3Cc3ccncc3)C2)c(C)o1 20136506 WCMVQRNZCFBYIA-UHFFFAOYSA-N 433.512 2.971 0 50 IFAA O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 23119702 CLNSSYSGSRQJEL-GGAORHGYSA-N 427.932 2.716 0 50 IFAA COc1ccc(C(=O)O[C@@H](C(N)=O)c2ccccc2)cc1S(=O)(=O)N1CCCC[C@H]1C 230093792 ZCOQDXZIWRAMDU-FOIQADDNSA-N 446.525 2.642 0 50 IFAA CSCC[C@H](C(=O)OCC(=O)c1cccs1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239038897 FDELBLHJGMYLED-MLGOENBGSA-N 445.562 2.649 0 50 IFAA CCNC(=O)[C@H]1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)C1 952974698 JTWWWFSDJOMDMN-ZDUSSCGKSA-N 431.436 2.816 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCC([C@H](O)c2cccs2)CC1)c1cccc(F)c1 1506429786 VOJBQHXBCVRPQW-IBGZPJMESA-N 426.535 2.625 0 50 IFAA COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)COc2cccc(C(N)=O)c2)c1 1875253174 KTVDSCNPPYEAFG-HSZRJFAPSA-N 434.492 2.935 0 50 IFAA C[C@@H](CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1)c1ccccc1 12097943 FREKWMRLBGUJCC-IBGZPJMESA-N 435.547 2.980 0 50 IFAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)C2CCN(C)CC2)C1 15064653 JCKRCDMWSSZEGE-OAQYLSRUSA-N 430.637 2.639 0 50 IFAA O=C1Nc2c(-c3ccccc3)cnn2C[C@H]1CC(=O)N1CCN(Cc2ccccc2)CC1 16625701 KOCZDCUJCQQHBQ-OAQYLSRUSA-N 429.524 2.853 0 50 IFAA CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 65362229 HJIDCAIRVCFYPW-GOSISDBHSA-N 434.500 2.680 0 50 IFAA CC(C)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)O)C(=O)OCc1ccccc1 100816648 HJNYSZOPKBPHFX-YYWHXJBOSA-N 442.512 2.546 0 50 IFAA CCCCOCCOCCOCCS(=O)(=O)Nc1ccccc1C(=O)N1CCCC1 170617725 YIQIUDKXNRVGEF-UHFFFAOYSA-N 442.578 2.514 0 50 IFAA O=C(O)CCC1CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CC1 225552803 PQTJNADNJGTRJP-UHFFFAOYSA-N 436.555 2.944 0 50 IFAA C[C@H](C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21)N1C(=O)NC2(CCCC2)C1=O 252516340 SCZFTINAQACSSV-QZWWFDLISA-N 433.549 2.741 0 50 IFAA COc1ccc(CCNC(=O)CCN2CCc3cc(OC)c(OC)cc3C2)cc1OC 253409218 LNYGMOMYRWIMTN-UHFFFAOYSA-N 428.529 2.828 0 50 IFAA biogenic CC(C)(NC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1)c1ccccc1 408521289 OLJWKWGXLBXANO-HKKHYUGTSA-N 440.565 2.742 0 50 IFAA O=C(NCc1ccc(S(=O)(=O)CCO)cc1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 437935488 QCWYYHNNOREAFK-MAUKXSAKSA-N 426.897 2.600 0 50 IFAA CC[C@](O)(C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1)c1cccc(Cl)c1 800445519 TUFOILZFYKYGSI-HSZRJFAPSA-N 446.931 2.939 0 50 IFAA COc1ccc2c3c1O[C@@H]1[C@@]4(OC)CC[C@@]5([C@@H](C2)N(C)CC[C@]315)n1c2ccccc2c(=O)n14 1857795682 OFBOPIWHKAKGRH-DDFGHHCKSA-N 445.519 2.573 0 50 IFAA CCN(CC)[C@@H]1CCN(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1875264216 IKFHGKKCCKBPQA-LJQANCHMSA-N 434.606 2.760 0 50 IFAA O=C(CSCc1cn(-c2ccccc2C(=O)O)nn1)NC[C@H]1C[C@@H]2CCCC[C@H]2O1 1875355199 CQDZZGJIZROBSF-ZSZQSSIHSA-N 430.530 2.663 0 50 IFAA CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)cc1 1143568 SZMXSIKCZNKTEU-UHFFFAOYSA-N 425.514 2.875 0 50 IFAA CCN(Cc1ccccc1)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CCOC)C1=O 11973606 JDPZOYIDCSZLPQ-DEOSSOPVSA-N 426.488 2.908 0 50 IFAA COc1cccc(CNc2ncnc3sc(C(=O)N4CCC[C@H]4C(N)=O)c(C)c23)c1 11982654 SRPOLJBQNYMXPB-HNNXBMFYSA-N 425.514 2.710 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccc3ncccc3c2)c(C)c1C 12307643 NLZWNRWRMWOAHS-QHCPKHFHSA-N 446.551 2.867 0 50 IFAA COc1cc2c(cc1OC)CN(S(=O)(=O)c1cc(C)c3[nH]c(=O)cc(C)c3c1)CC2 12445790 BYJSWYGXTSNJLQ-UHFFFAOYSA-N 428.510 2.909 0 50 IFAA COc1ccc(-n2c(-c3ccc(C)cc3)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 12461924 YCTNDHXXXZXQNK-UHFFFAOYSA-N 429.480 2.968 0 50 IFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCN(c3ccccc3OC)CC1)C2 14536749 ZNKUXHWCPLDEGI-LJQANCHMSA-N 437.588 2.827 0 50 IFAA COC(=O)c1c(OC2Cc3ccccc3C2)cc(=O)n2c1CCN([C@@H]1CCSC1)CC2 14991216 KQXXLGRBEKCWFS-GOSISDBHSA-N 440.565 2.545 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCCc3cccc(F)c3)cc2OC)CC1 19770972 SYHOMYXMXPXXEA-HSZRJFAPSA-N 445.579 2.544 0 50 IFAA CCOc1ccc(CN2CCN(Cc3ccc(OC)cc3F)[C@@H](CCO)C2)cc1CO 19787179 SZHYSHOQILTSLR-NRFANRHFSA-N 432.536 2.794 0 50 IFAA COc1ccc(C(=O)N2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)o1 20202753 WGZHHZLMSFOIII-UHFFFAOYSA-N 449.935 2.917 0 50 IFAA CCOc1ccccc1CN1CCc2c(C(=O)N3CCCC3)c(OC)cc(=O)n2CC1 20911703 PAPICTCRPWWYQA-UHFFFAOYSA-N 425.529 2.550 0 50 IFAA O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38530529 JUKZAPLBGAMPPW-UHFFFAOYSA-N 443.551 2.794 0 50 IFAA CN(Cc1ccon1)C(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 55369331 KAILFXNEKKWHLV-HSZRJFAPSA-N 432.524 2.656 0 50 IFAA CN1CCN(c2ccc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3Cl)cc2)CC1 65362111 TYPIYIWDOAUMQM-UHFFFAOYSA-N 436.965 2.740 0 50 IFAA CCOc1ccc(N2C(=O)C[C@@H](N3CCN([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1 100594438 YBUROUGFUOVFDR-LADGPHEKSA-N 433.552 2.892 0 50 IFAA CCCCn1c(N)c(N(C(=O)CN2CCC[C@@H]3CCCC[C@H]32)C2CCCC2)c(=O)[nH]c1=O 229980119 KNQIJHJGMGDGQA-PKOBYXMFSA-N 445.608 2.849 0 50 IFAA CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 240707714 HPZSBYIAKJZZMZ-HRCADAONSA-N 428.938 2.899 0 50 IFAA O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCCc1cccs1)C2)c1cccnc1 299787699 ZSZHQGVEYZOONT-ZDUSSCGKSA-N 426.523 2.956 0 50 IFAA O=C([C@H](O)[C@H](O)c1nc2ccccc2s1)N1CCC2(CC1)OCCc1ccsc12 1319922892 ZUDFDOLKFYUQHH-DLBZAZTESA-N 430.551 2.843 0 50 IFAA CCC[C@@H](NC(C)=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1875344259 IHZLPUKERAXTNQ-IEBWSBKVSA-N 443.997 2.694 0 50 IFAA O=C([C@@H](O)c1ccc(Cl)cc1Cl)N1CCO[C@H](Cn2cc(-c3ccncc3)nn2)C1 1875358312 QYFJCNQOQVJFLJ-KXBFYZLASA-N 448.310 2.608 0 50 IFAA CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 898278 ZAMFQIWPSBUQIK-UHFFFAOYSA-N 425.470 2.797 0 50 IFAA COc1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H](C)n2nc(C)cc2C)C3)nn1 11880458 RMXOFXGSIGHYAN-PBHICJAKSA-N 425.464 2.786 0 50 IFAA Cc1cc(C(=O)NCc2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)n(C)n1 12034540 XLONWRXCLJGCAC-QGZVFWFLSA-N 426.546 2.569 0 50 IFAA COc1ccc(CN2CCN(C3CCCC3)CC2)cc1OC[C@@H](O)CN1CCCCC1 19758569 HOBXLVHHLJHHCO-QHCPKHFHSA-N 431.621 2.981 0 50 IFAA COc1ccc(C(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1OC 19832216 RQQQJCISUFLLMK-UHFFFAOYSA-N 430.501 2.688 0 50 IFAA Cc1cccc(N([C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 65363154 RUFQYECRSZIOTN-GOSISDBHSA-N 430.574 2.540 0 50 IFAA COc1ccc(CN2CCN=C(O)[C@@H]2CC(=O)N(C)Cc2nc(C)cs2)c(OC)c1 82056115 GOAHEELJOFYKGY-KRWDZBQOSA-N 432.546 2.658 0 50 IFAA Cc1cccn2cc(CC(=O)N3CCN([C@H]4CCCN(Cc5ccccc5)C4=O)CC3)nc12 170593336 ZSKLCLWCXHEQRS-QHCPKHFHSA-N 445.567 2.521 0 50 IFAA O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 222107721 BCZWGPYRCXINJL-RTBURBONSA-N 435.446 2.981 0 50 IFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1OC 223226232 GHPHVOWZCYDPCL-CYBMUJFWSA-N 437.374 2.570 0 50 IFAA Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1C 253415213 FXTARGYDBMPPER-KRWDZBQOSA-N 436.530 3.000 0 50 IFAA CC(C)N1CCC(O)(CNC(=O)c2cccc(NC(=O)c3ccc4nc[nH]c4c3)c2)CC1 472426169 ASDKABRFDKDZIY-UHFFFAOYSA-N 435.528 2.780 0 50 IFAA COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)sc3C)CC2)cn1 1857678804 RWLUSDBWKYTVCV-UHFFFAOYSA-N 434.543 2.934 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2ccc(OC)cc2)C1 1857693355 STHMEASIHMDSID-OTNCWRBYSA-N 429.605 2.567 0 50 IFAA CCCN1C(=O)[C@@]2(CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C2)c2ccccc21 2100540338 IJQIZWFLBHKNSH-HSZRJFAPSA-N 439.537 2.660 0 50 IFAA O=C(CCn1c(CO)nc2ccccc21)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 2356151756 XUHWMIUESASYBS-GCJKJVERSA-N 430.508 2.841 0 50 IFAA CCNC(=S)N(Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 1220175 JGMGNQNGRTYPIJ-GOSISDBHSA-N 425.510 2.502 0 50 IFAA COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(C)cc2)cc1OC 1440743 FGTMQFUDBNQMBU-UHFFFAOYSA-N 445.479 2.668 0 50 IFAA COC(=O)C1CCN(C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1 12100218 IYJLIDQVHOLRKW-SANMLTNESA-N 448.519 2.782 0 50 IFAA NC(=O)c1cncc(-c2cccc3c2O[C@@H](CNC(=O)c2ccccc2-n2cccn2)C3)c1 20999123 JZDIUXFMZPJVIW-LJQANCHMSA-N 439.475 2.767 0 50 IFAA O=C1NCCN(Cc2ccccc2F)[C@H]1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 55042337 IYGNRRSTKOUBED-NRFANRHFSA-N 444.938 2.518 0 50 IFAA CN(c1ccc(Cl)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)S(C)(=O)=O 67604739 ARPYQGWRRXWGAW-UHFFFAOYSA-N 425.913 2.837 0 50 IFAA O[C@H](COc1cccc2c1CCC/C2=N\Nc1nncc2ccccc12)CN1CCOCC1 96028142 SFIIPLZCTLFSRI-ZCVHIRLZSA-N 447.539 2.854 0 50 IFAA COC(=O)[C@@]1(NC(=O)[C@@H](N)Cc2c(F)cccc2Cl)CCCN(Cc2ccccc2)C1 1875383236 MBEPFNPIVKUMJQ-NZQKXSOJSA-N 447.938 2.673 0 50 IFAA COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)cc1OC 882597 LJSXNVWWEGVISY-UHFFFAOYSA-N 441.509 2.611 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 1148922 TYIGRODNCTUZMW-UHFFFAOYSA-N 441.303 2.625 0 50 IFAA O=C(COC[C@H]1CCCO1)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 225444993 GUUDAYOWHOQDLL-BXUZGUMPSA-N 426.229 2.813 0 50 IFAA CC(C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 263617253 MXZJOEMZRNRLPY-GOSISDBHSA-N 431.924 2.580 0 50 IFAA O=C(O)c1cncc(-n2cc(CN(Cc3ccc(F)cc3)C(=O)c3cncs3)nn2)c1 1875326269 DZEKGCOJCPHMLT-UHFFFAOYSA-N 438.444 2.799 0 50 IFAA CCOc1ccc(OCC(=O)N2CCCC[C@@H]2c2cn(Cc3nnc(C)o3)nn2)cc1 1875361499 TXIGUFLLDUKZOL-LJQANCHMSA-N 426.477 2.549 0 50 IFAA COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)N(C)CCc1nc3cc(F)ccc3[nH]1)C2 12242392 IBIDMDXOSUHESY-HNNXBMFYSA-N 426.492 2.995 0 50 IFAA CCCN(C[C@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(CCCOC)C1=O 12571008 HPEZVWDZRQDPOW-NLFFAJNJSA-N 444.572 2.836 0 50 IFAA O=C(c1nn(Cc2ccncc2)c2c1CN(Cc1ccc3c(c1)OCO3)CC2)N1CCCC1 14534798 PJBLPKVTZPTMNJ-UHFFFAOYSA-N 445.523 2.849 0 50 IFAA COc1cc(CN2CC(=O)N(CC(C)C)C[C@@H](OCc3cccnc3)C2)cc2c1OCO2 14747008 HSDKCNHRMOOHEI-FQEVSTJZSA-N 441.528 2.705 0 50 IFAA O[C@H](COc1c(F)cc(Br)cc1F)CN1CCN(c2ccccn2)CC1 15724548 QVUWGZAONKROAU-AWEZNQCLSA-N 428.277 2.684 0 50 IFAA COC(=O)c1cc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc(C(=O)OC)c1 19859227 UQZOGDSCSCOBID-UHFFFAOYSA-N 427.526 2.774 0 50 IFAA Cn1cc(/C=C/C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cn1 20775526 HJRCZXCKCCVNRX-XDQZKXAQSA-N 449.599 2.797 0 50 IFAA CCOC(=O)N1CCC(N2CCOc3ccc(CN4CCC[C@H]4C(=O)OC)cc3C2)CC1 55091075 CMXAVRLJTREIDB-NRFANRHFSA-N 445.560 2.639 0 50 IFAA COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 100568718 TZZHJDOQGNSIJL-LJQANCHMSA-N 427.888 2.581 0 50 IFAA Cc1cc(N2CCN([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)nc(-c2ccncc2)n1 1875258232 KIXITQDZBDWTGJ-QGZVFWFLSA-N 434.466 2.522 0 50 IFAA Cc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)CC2=O)cc1 2865353 QBRWWSNBJRJZFC-ZDUSSCGKSA-N 429.523 3.000 0 50 IFAA CC[C@H](Sc1nnc(N)s1)C(=O)N[C@H](CSCc1ccccc1)C(=O)OC 2876787 LJAWLFODFCTBQI-OLZOCXBDSA-N 426.589 2.582 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(Cl)cc1 2886200 ZQSQAUBHDXUCTG-UHFFFAOYSA-N 439.940 2.590 0 50 IFAA CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(CC)C(=S)N2Cc2cccnc2)cc1 5947771 UHYPIOWMTIYXGJ-GOSISDBHSA-N 440.525 2.605 0 50 IFAA CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2cccc(OC)c2)C3)n(C)n1 11783732 OIVKRSYUVQFNOI-UHFFFAOYSA-N 447.539 2.823 0 50 IFAA Cc1ncc2c(c1CNC(=O)CSc1ccccc1)CCN(C(=O)[C@H]1CCCO1)C2 11913442 GHCQFMOBNJRMGB-OAQYLSRUSA-N 425.554 2.862 0 50 IFAA CCc1nc(C)c(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)[nH]1 12447548 MDOLDRKTSOXHQP-UHFFFAOYSA-N 430.549 2.709 0 50 IFAA CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CN[C@@H]1CCOC(C)(C)C1 14993777 ZYRCANUQBHWAHB-MRXNPFEDSA-N 438.528 2.948 0 50 IFAA C[C@@H](C1CCN(C(=O)CCc2nnc(CCc3ccccc3)o2)CC1)N1CCOCC1 19740071 SLYOQSDLUGEGDI-IBGZPJMESA-N 426.561 2.747 0 50 IFAA CC(C)c1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 19800224 CTRRKHJTVSPNHY-UHFFFAOYSA-N 429.586 2.920 0 50 IFAA COc1cc(CNCCc2c(C)n[nH]c2C)ccc1OC[C@@H](O)CN1CCCCCC1 23366506 UYZQMAUTVSUSBE-NRFANRHFSA-N 430.593 2.983 0 50 IFAA Cc1sc2nc(CS[C@@H](C)C(=O)NCc3nnc(C4CCC4)n3C)[nH]c(=O)c2c1C 170594428 WIPBUFZTJRUZMD-LBPRGKRZSA-N 446.602 2.936 0 50 IFAA CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2C=CC=NN21 253487251 HOZLIFOBQUNCMT-JONQDZQNSA-N 430.302 2.778 0 50 IFAA CCN(C1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1)S(C)(=O)=O 481484095 SSJNQVUXETUCJO-AWEZNQCLSA-N 446.976 2.513 0 50 IFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 952977415 JXPHDKACOGJRSQ-NRFANRHFSA-N 449.486 2.626 0 50 IFAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cccc(OCCc4ccccc4)c3)CC2)[C@H]1O 1704299702 QMFGHHUJTDAQPM-BJKOFHAPSA-N 425.525 2.815 0 50 IFAA O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CC[C@H](OCC2CC2)C1 1875301618 NCSRORSRPUIXSO-IRXDYDNUSA-N 427.423 2.901 0 50 IFAA CO[C@H](C)CC(=O)N1CCC([S@@](C)(=O)=NC(=O)C2=Cc3cc(F)ccc3OC2)CC1 2332238706 ISRSAIIUBUPTSJ-ILHIWHGASA-N 438.521 2.642 0 50 IFAA CCC[C@H]1[C@H]2C[C@H](CN(C(=O)Cc3ccc(-n4nnnc4C)cc3)C2)c2cccc(=O)n21 2356158531 NRCOTXWVLXHLDZ-ZVDOUQERSA-N 432.528 2.662 0 50 IFAA CC(C)COc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)NCCCO)cc1 2090510 LYQRQKVUVBGPIQ-UDWIEESQSA-N 440.496 2.720 0 50 IFAA CCn1ncc(Br)c1CNS(=O)(=O)c1ccc(Br)s1 2803706 TZOFQBOKCOGLLX-UHFFFAOYSA-N 429.159 2.968 0 50 IFAA CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1ccc(OCc2ccccc2)cc1 6244932 RYIMDBIVOPYKLU-UHFFFAOYSA-N 425.510 2.743 0 50 IFAA Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)NCCN(C)C)N(Cc3cccc(F)c3)C2)n1 11983325 MBERJIVROCQVSQ-UXHICEINSA-N 431.581 2.646 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2-c1ccccc1OC 12445580 DAAVYVKITJBXIY-UHFFFAOYSA-N 449.438 2.838 0 50 IFAA CCOc1ccccc1C(=O)NCCN1CCN(C(=O)c2ccccc2OCC)CC1 20166549 JTHJAKKKSPCFHN-UHFFFAOYSA-N 425.529 2.672 0 50 IFAA COC(=O)Cn1cc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c2ccccc21 104456003 HNBQOBWXBMFPHI-JOCHJYFZSA-N 436.556 2.587 0 50 IFAA Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 328592438 IGBKSJJXRWZNJR-SXLOBPIMSA-N 430.574 2.673 0 50 IFAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 409414515 LIIMDHOYZVIGII-NLWGTHIKSA-N 427.545 2.534 0 50 IFAA biogenic Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 446319401 HQQIMPNKEGNOBG-DSIZOQBWSA-N 425.872 2.840 0 50 IFAA O=C1N[C@H]2CN(C3CCCC3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952863285 UTCWUGICKQKBTQ-FPOVZHCZSA-N 445.951 2.656 0 50 IFAA CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)c1 1309670626 JGLBEROJFOYVBG-SFHVURJKSA-N 439.942 2.909 0 50 IFAA COC(=O)c1cscc1CC(=O)N[C@H](c1cn(-c2ccc(O)nc2)nn1)C(C)(C)C 1875357913 BNOMBQBYGMEOGD-GOSISDBHSA-N 429.502 2.662 0 50 IFAA CN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 1123919 HVTFWPWOVYLPKD-UHFFFAOYSA-N 435.933 2.835 0 50 IFAA COC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 12149683 USDNIOXSVMPXSC-BKMJKUGQSA-N 449.551 2.739 0 50 IFAA COCC(=O)NC[C@@H]1CCC2(CCN(Cc3cccn3-c3ccc(Cl)cn3)CC2)O1 12212804 ZAGIVMAYQIGDCZ-IBGZPJMESA-N 432.952 2.802 0 50 IFAA Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)CCn2cnnn2)CC1 12432381 XPMQNGRPWNXKDR-UHFFFAOYSA-N 433.560 2.708 0 50 IFAA COc1ccc(CN(C)CCn2nc(C)cc2C)cc1OC[C@@H](O)CN1CCCCC1 12836193 SMAWQUTWWUTXFA-QFIPXVFZSA-N 430.593 2.866 0 50 IFAA O=C(NCCCN1CCOCC1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 12845527 LGNZOCCREPMYEY-ZWKOTPCHSA-N 437.466 2.996 0 50 IFAA CCCN1CCN(C(=O)[C@H]2CC(=O)c3sc(NC(=O)c4cccs4)nc3C2)CC1 14987806 CSDRDMCVWHHVSS-CYBMUJFWSA-N 432.571 2.756 0 50 IFAA COc1ccc(NC(=O)c2cc(NC(=O)CCCC(=O)O)ccc2N2CCOCC2)cc1 16425814 UFFBYFNTGRHVTL-UHFFFAOYSA-N 441.484 2.978 0 50 IFAA O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1cccc3cccnc13)CC2 19229549 LSPAPBFQSRHODV-UHFFFAOYSA-N 444.514 2.883 0 50 IFAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1OC 19552856 RWGGYJNQHCCMKJ-UHFFFAOYSA-N 440.949 2.872 0 50 IFAA Cc1cn2cc(CNC(=O)c3ccc(CN(C)CCc4ccccc4)[nH]c3=O)nc2s1 19794607 XSINOHWAIQYRGX-UHFFFAOYSA-N 435.553 2.997 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)N2C[C@H]3CCC[C@H]2C3)(c2ccccc2OC)C1=O 104331661 MUVQXUQKSNIKCT-XFAGBWLFSA-N 428.529 2.520 0 50 IFAA CCO[C@H]1C[C@@H](N(C)C(=O)CN2C(=O)COc3cc(Br)ccc32)C1(C)C 170636654 IDUXWCYYBVWUEC-CVEARBPZSA-N 425.323 2.837 0 50 IFAA COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)nc1 253420003 SDYOALJXIVVMAX-SFHVURJKSA-N 448.564 2.781 0 50 IFAA CC(=O)O[C@H]1CC[C@@]23[C@@H]4CC[C@@]5(C)[C@H](CC[C@H]5C5=CC(=O)OC5)[C@]4(CC[C@@]2(O)C1)O[C@H]3O 254415695 XLUGVKZDVVAUBL-NDJGQYKFSA-N 446.540 2.626 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)N[C@H](C)c2nccs2)(c2ccccc2C)C1=O 299794432 KQRAMXMFCYDLTQ-OPAMFIHVSA-N 429.542 2.752 0 50 IFAA CCOC(=O)[C@@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 1848444168 RUXFQLATLCPIFX-GHTZIAJQSA-N 431.441 2.681 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCc5cccc(Cl)c54)ccc3C2=O)C(=O)N1 2325901696 UMDFUJJHHYNDMR-QGZVFWFLSA-N 438.871 2.696 0 50 IFAA O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)NC1CCCCC1 9235904 DAGCLFIVNZWLED-UHFFFAOYSA-N 428.562 2.993 0 50 IFAA O=C1NCCN(Cc2ccc(F)cc2)[C@H]1CC(=O)N1CCC(OCc2ccccc2)CC1 11661833 KWRLRILWDNFLOF-QHCPKHFHSA-N 439.531 2.724 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1cccs1 13603279 JSBZIBSZMZQZKI-WPNIOXTASA-N 440.546 2.868 0 50 IFAA COC(=O)c1c(NC(C)=O)c2cc(N[C@H](C)CC(C)(C)O)cnc2n1C[C@H]1CCCO1 14534486 NOLFIUAUDLGUFS-CZUORRHYSA-N 432.521 2.922 0 50 IFAA COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(C(=O)c3ccccn3)CC2=O)cc1 14542415 UFYQCAGDZGESAO-JOCHJYFZSA-N 446.507 2.555 0 50 IFAA COc1ccc(CNCc2ccccc2Cl)cc1OC[C@H](O)CN1CCN(C)CC1 20784601 CVEHAZQXIWWTAE-HXUWFJFHSA-N 433.980 2.626 0 50 IFAA O=C(N[C@@H](CO)c1ccccc1)[C@H]1CC(=O)N(c2[nH]nc3cc(Br)ccc23)C1 252484279 FTOCKSWYRGPOOT-GUYCJALGSA-N 443.301 2.528 0 50 IFAA CNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1F 252676181 WGXOMGVFFROYDG-OXQOHEQNSA-N 433.549 2.716 0 50 IFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 426240512 RFISQRPHOMHRAR-XZTKBFAISA-N 431.939 2.866 0 50 IFAA Cn1ncc2c(N)nc(N3C[C@H](c4ccc5c(c4)OCO5)O[C@H](c4ccccc4)C3)nc21 1875244009 IHFVROKLTNQMSX-VQTJNVASSA-N 430.468 2.993 0 50 IFAA COC(=O)COc1ccc(/C=c2/s/c(=C\C(=O)c3ccc(Cl)cc3)nc2O)cc1 1875258779 OGTUGBBYOYMWJX-PAUOAVIZSA-N 429.881 2.546 0 50 IFAA N=c1[nH]n(C(=O)c2cccc(C(=O)N=c3[nH][nH]c4ccc(F)cc34)c2)c2ccc(F)cc12 2325870075 IJBYJKYYUQHPHN-UHFFFAOYSA-N 432.390 2.966 0 50 IFAA Cc1[nH]nc2ncc(C(=O)N3CCC[C@H]3[C@H]3CCN(C(=O)c4cc5cccnc5[nH]4)C3)cc12 2332239503 ARGTWCPUNOADSW-JXFKEZNVSA-N 443.511 2.910 0 50 IFAA CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 821418 ZJOQLUIMBJOODZ-UHFFFAOYSA-N 427.320 2.707 0 50 IFAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 1158568 RTJXZOKGGUKPND-UHFFFAOYSA-N 426.469 2.966 0 50 IFAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)C2=NN(C)C(=O)CC2)CC1 12592011 MVDPTALXYSNHHJ-JOCHJYFZSA-N 440.588 2.823 0 50 IFAA O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1cccc(Cl)c1 19293453 OQLBDPLUSVHSOV-SFHVURJKSA-N 427.888 2.518 0 50 IFAA COC1CCN(C(=O)NC[C@H](NC(=O)N2CCC(OC)CC2)[C@@H](C)c2ccccc2)CC1 225829210 MIZYQKAFJUCSOU-AVRDEDQJSA-N 446.592 2.800 0 50 IFAA O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NC[C@@H]1CCCN2CCCC[C@H]12 252569074 VXENKVFMDBFXKA-PWRODBHTSA-N 426.561 2.515 0 50 IFAA COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CCN(C/C=C/c1ccco1)CC2 299781173 DDZDNQDEIPAXMY-ZLHKHBAESA-N 442.512 2.747 0 50 IFAA CCOC(=O)c1cc(NC(=O)CSc2ncc(C(=O)OCC)c(N)n2)ccc1Cl 9184963 SBERRBCUQFXKBK-UHFFFAOYSA-N 438.893 2.796 0 50 IFAA COc1ccc(OC)c(CC(=O)NC[C@H]2Cc3cc(-c4ccc(OC)nn4)ccc3O2)c1 15007646 OJQJONGQSVDAFX-LJQANCHMSA-N 435.480 2.832 0 50 IFAA Cc1ccccc1[C@@]1(CC(=O)N2CCN(C(C)C)CC2)CC(=O)N(Cc2cccnc2)C1=O 20995441 HAFQGBNMPHSBNS-AREMUKBSSA-N 448.567 2.530 0 50 IFAA COc1cccc([C@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C)S(=O)(=O)N2)c1 101684320 FVEOZUYOASIHGX-GZHDQSLTSA-N 435.590 2.702 0 50 IFAA O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)N1CCN(c2ccccc2Cl)CC1 169760020 CVGRDIQMBZBRMK-UHFFFAOYSA-N 439.947 2.767 0 50 IFAA COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)c1 239339109 LRWVHTYSXNTCON-JKIFEVAISA-N 430.404 2.869 0 50 IFAA O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NC1Cc3ccccc3C1)C2)c1ccncc1 299779357 NJBHRZCQLBZJQI-MRXNPFEDSA-N 432.505 2.819 0 50 IFAA NC(=O)N[C@@H](CC(=O)N1CC[C@H](OCc2cccnc2)C1)c1ccc(Br)cc1 1875261746 FWHXVUOGGXDEKN-ROUUACIJSA-N 447.333 2.761 0 50 IFAA O=C(NCCC(=O)N1CCC[C@H]1Cc1ccccc1Cl)c1ccc(-c2nn[nH]n2)cc1 2325749437 XHMZTMQABNDPFV-SFHVURJKSA-N 438.919 2.874 0 50 IFAA CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(F)c3)C2)c1 9381016 ZZFHNSDSCNPPRD-GOSISDBHSA-N 425.507 2.698 0 50 IFAA COc1ccc2ccccc2c1CNC(=O)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12458755 CVDVNXQXKIHSMZ-LJQANCHMSA-N 437.540 2.716 0 50 IFAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)cc1 12465818 TVRKVEZRLHAHRR-SFHVURJKSA-N 432.542 2.657 0 50 IFAA CCC(=O)[C@@H]1CCCN(C(=O)CC[C@]2(Cc3ccc(OC)c(OC)c3)CCC(=O)N2)C1 14879577 QBVFVJBCVSLFFZ-KOSHJBKYSA-N 430.545 2.893 0 50 IFAA CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)N(NC(=O)c2cccc(F)c2)C1=S 15799301 KPTRIIKHUDTJEP-SFHVURJKSA-N 442.516 2.934 0 50 IFAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3CO2)cc1 263615314 BSTIMGNYFQRKJJ-OAQYLSRUSA-N 437.475 2.660 0 50 IFAA O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCS(=O)(=O)c2ccccc2C1 482252451 BBPNSVZKHZCNFL-UHFFFAOYSA-N 437.521 2.553 0 50 IFAA O=C(O)CSCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 485822698 XVSDMJXHJZZYPO-LJQANCHMSA-N 443.500 2.582 0 50 IFAA O=C(NS(=O)(=O)N1CCc2ccccc21)c1cnn(-c2ccc(C(F)(F)F)cc2)c1 796945190 OCIMPBNXWJRMDX-UHFFFAOYSA-N 436.415 2.928 0 50 IFAA CS(=O)(=O)CCC(=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857705135 UIYXXZGINKBVGC-OAQYLSRUSA-N 436.618 2.910 0 50 IFAA CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2ccc3nnc(-c4ccccc4)n3c2)c1 1875317257 STBAEFIXFQZQMV-OAHLLOKOSA-N 435.509 2.795 0 50 IFAA CCC[C@@H](NC(C)=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1875344361 IHZLPUKERAXTNQ-PKOBYXMFSA-N 443.997 2.694 0 50 IFAA O=C(CN1CC[C@]2(CCCN(Cc3ccccc3)C2)C1)N[C@@H](Cc1ccccc1)C(=O)O 2325730283 BVCLMURLCXVWIW-OZXSUGGESA-N 435.568 2.787 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccccc1 653880 SZYMFEIEAJIWLW-DPWKNNTCSA-N 440.908 2.767 0 50 IFAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)C1CC(C)(C)NC(C)(C)C1 12466995 IGIAOOGFSIDIQN-HXUWFJFHSA-N 444.620 2.543 0 50 IFAA CN1C(=O)[C@H]2CN(C(=O)c3ccc4ccccc4c3)CCN2C(=O)[C@@H]1Cc1ccccc1 14536682 NLRYDUSGTKTWJK-XZOQPEGZSA-N 427.504 2.576 0 50 IFAA COc1cc(COC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc(OC)c1OC 19867244 OQHYXWTZUJLSBC-GOSISDBHSA-N 434.508 2.551 0 50 IFAA COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)c(C)c1C 20919323 CIBXVBQCDJQJMS-SFHVURJKSA-N 441.576 2.566 0 50 IFAA Cc1ccc(C)c(OC[C@@H](O)CN2CCN(C[C@@H](O)COc3cc(C)ccc3C)CC2)c1 22942635 JBTLCKCVJHHEIW-PSWAGMNNSA-N 442.600 2.717 0 50 IFAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cnn(C)c2)CCO3)C1 55042328 YMOSDKMXYZWPDX-JOCHJYFZSA-N 439.604 2.895 0 50 IFAA COc1ccc(CNC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)cc1OC 169759869 KMVRSOLENJBEFN-JOCHJYFZSA-N 437.452 2.831 0 50 IFAA CCOC(=O)C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 169816360 FSAHUMCKSMYUPI-UHFFFAOYSA-N 437.127 2.720 0 50 IFAA Cc1cc(-c2noc(CCC(=O)N3CCC([C@@H](O)c4nccn4C)CC3)n2)ccc1F 772574791 AOPNPODEIKUCMF-HXUWFJFHSA-N 427.480 2.822 0 50 IFAA CC(C)c1noc(C2CCN(C(=O)c3ccc4c(c3)nc(N3CC[C@H](O)C3)n4C)CC2)n1 1506419073 WUEPIHYRCLWEOK-KRWDZBQOSA-N 438.532 2.671 0 50 IFAA CCC(=O)N1C[C@@H]2CN(S(=O)(=O)c3sc4ccc(Cl)cc4c3C)C[C@]2(CO)C1 1775981203 BBHCSXPOHNEAOY-YJYMSZOUSA-N 442.990 2.715 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cc(C)nc(C)c1)C2 1857685496 WAALHDVXTNOWON-PQNGQFLHSA-N 429.561 2.595 0 50 IFAA Cc1cc(C(=O)N=S2(=O)CCC3(CC2)C[C@H](NC(=O)[C@H]2CC2(F)F)CCO3)ns1 2332238263 JNNTYUXUMBNASI-LSTFMWODSA-N 447.529 2.543 0 50 IFAA CCc1nnc(N2C[C@@H](C(=O)N3CCC4(CC3)OCCc3ccsc34)CC2=O)s1 2356137767 YRQGZOODDWJNJD-AWEZNQCLSA-N 432.571 2.606 0 50 IFAA CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2cccc(C(C)=O)c2)cc1 2857114 FQVNRYCJRPIOTJ-UHFFFAOYSA-N 425.470 2.772 0 50 IFAA O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 3001595 UENUTIAERBDEAI-PHCAOYFPSA-N 430.460 2.975 0 50 IFAA biogenic COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)cc1 12125138 ZBDHEFYJMKKTTR-SNAWJCMRSA-N 435.528 2.998 0 50 IFAA COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)ccc1O 12162602 IOYHZNFMDKPNCH-GOSISDBHSA-N 449.555 2.861 0 50 IFAA O=CN1CCCN([C@H]2CCc3c(sc4ncn(C5Cc6ccccc6C5)c(=O)c34)C2)CC1 12190542 QJFMMMNZYDTZAS-IBGZPJMESA-N 448.592 2.819 0 50 IFAA CCOC(=O)C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(C)cc1 12413182 ZBIVJWRTTCXTRW-INIZCTEOSA-N 434.539 2.881 0 50 IFAA O=C1CN(C(=O)c2cnccn2)C[C@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14535987 GVTZWECCOOMUDC-JOCHJYFZSA-N 448.498 2.728 0 50 IFAA CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNCCn1nc(C)cc1C 14882041 IPSFFIZHTJOIGW-UHFFFAOYSA-N 448.527 2.504 0 50 IFAA COc1cc(C)c(-c2nc(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(C)o2)cc1C 20149575 NZDZLUPCDHIENO-SFHVURJKSA-N 433.574 2.580 0 50 IFAA CCCN1CCC(N2C[C@H](NCc3ccc(C(C)C)cc3)C[C@H]2C(=O)NCCOC)CC1 20996169 XCCXBKYSHPQPKZ-NOZRDPDXSA-N 444.664 2.980 0 50 IFAA COC(=O)CN(C)Cc1ccc2c(NC(=O)Cc3ccccc3)c(C(=O)OC)sc2n1 39455295 YNHCVEHONUXTIR-UHFFFAOYSA-N 441.509 2.869 0 50 IFAA CC[C@](O)(C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(Cl)c1 800451863 NIRSDJKLXOCGAB-OAQYLSRUSA-N 436.961 2.861 0 50 IFAA Cc1cnc(C(=O)O)c(-c2cn([C@H]3CCN(C(=O)Cc4cccc5cccnc45)C3)nn2)c1 1875356736 WCBWMVGNJSARCQ-SFHVURJKSA-N 442.479 2.911 0 50 IFAA C=CC(=O)N1CCC[C@H](C(=O)N=[S@]2(=O)CCOc3ccc(Br)cc32)C1 1875371994 SWMMCWYHBXDAGS-VDBVYFBLSA-N 427.320 2.620 0 50 IFAA CCOc1ccc(-c2cc(C(=O)Nc3cc(=O)n(C)c(=O)n3C)c3ccccc3n2)cc1 1116826 VMUFDAYLCVNJPX-UHFFFAOYSA-N 430.464 2.950 0 50 IFAA CC[C@@H]1CN(CCNC(=O)c2ccc(N3CCOCC3)cc2)Cc2cc(OC)ccc2O1 11971789 HUFPIRWIMNFROF-JOCHJYFZSA-N 439.556 2.935 0 50 IFAA CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)CC1 14962281 QHIBDZIVWYXPQM-INIZCTEOSA-N 427.471 2.579 0 50 IFAA CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)O)CC2)cc1 17099011 BITXEBFLCLSHDA-WOJBJXKFSA-N 434.558 2.529 0 50 IFAA Cn1ccnc1[C@H](O)C1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)CC1 19228595 HMTGCNFXAKJEFQ-LJQANCHMSA-N 442.589 2.701 0 50 IFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55341070 YABZEWCYGYNPJJ-JOCHJYFZSA-N 427.568 2.922 0 50 IFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 67622279 VPPHAQIDWRZUON-UHFFFAOYSA-N 430.556 2.652 0 50 IFAA CNS(=O)(=O)c1cc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)ccc1O 170617787 GOLHCGISFBWLDJ-UHFFFAOYSA-N 435.502 2.668 0 50 IFAA COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3CCCCC(=O)N3)ccc2OC)cc1 170618067 KJXXCZJLULZARY-QGZVFWFLSA-N 447.513 2.502 0 50 IFAA CSCC[C@@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 223234975 UKEIZLMIEZVFGN-QGZVFWFLSA-N 437.525 2.945 0 50 IFAA CC(C)=CC(=O)NCc1ccc(C(=O)NCCS(=O)(=O)CCc2ccccc2)cc1 225721151 ZNVTVWYLSNGDOJ-UHFFFAOYSA-N 428.554 2.656 0 50 IFAA C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cccc(-n2[nH]nnc2=N)c1 1298395147 IDJAFSCDPMUNOK-PXAZEXFGSA-N 432.406 2.696 0 50 IFAA Cc1nnc(N2CCN(C(=O)c3nc(-c4ccccc4)oc3C3CC3)CC2)c(C(N)=O)c1C 1326708924 AMIAMAOAJPIBRP-UHFFFAOYSA-N 446.511 2.687 0 50 IFAA O=C(O)[C@@H]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(OC4CCOCC4)c(F)c3)[C@@H]2C1 1875260353 RHNHCVQSZRJDKY-HBUWYVDXSA-N 427.494 2.647 0 50 IFAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)c2cnn(Cc3ccccc3)c2)CCCCN1 2100534040 QQMCOGBHMHRKGZ-QHCPKHFHSA-N 437.588 2.918 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2ccc(F)c3ncccc23)CC1=O 2325819990 XDCFFHNCOQOEHA-GOEBONIOSA-N 441.484 2.789 0 50 IFAA COC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2851890 FSJFIKPXNSOQAC-UHFFFAOYSA-N 437.905 2.665 0 50 IFAA Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)NCCOc3ccccc3)cc2)n1C 12372075 SQYWMHPZMHDCHP-UHFFFAOYSA-N 429.542 2.965 0 50 IFAA CC1=C(C(=O)N2CCC(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)OCCO1 12707644 FRUFXPVAZYVYKU-JOCHJYFZSA-N 441.572 2.674 0 50 IFAA COc1ccccc1CN[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 14536536 GOOVECYYJXLHJB-IBGZPJMESA-N 426.561 2.667 0 50 IFAA COC(=O)c1c(NC(=O)COc2ccccc2)c2cc(N[C@@H](C)CCO)cnc2n1C 14538984 SZDFAIRBTBUSDF-AWEZNQCLSA-N 426.473 2.560 0 50 IFAA CC(C)CN1C[C@@H](OCc2ccncc2)CN(Cc2cccn2-c2ncccn2)CC1=O 14748515 DFCMACGXKZDXJN-QFIPXVFZSA-N 434.544 2.548 0 50 IFAA COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(SC)cc1)CC2 14994003 XZUALWMXSCTHPY-LJQANCHMSA-N 431.606 2.908 0 50 IFAA O=C1NCCN(Cc2ccc3ccccc3c2)[C@@H]1CC(=O)N1CCN(C2CCCC2)CC1 20450887 MGSRIGOSJQOCCF-XMMPIXPASA-N 434.584 2.617 0 50 IFAA O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2ccnc(N3CCCC3)n2)CC1 72119178 PRFKPHQHLXVOKZ-UHFFFAOYSA-N 441.479 2.607 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ncccc2N(C)C)c1 170600110 DMZMZAPPVIXFJV-UHFFFAOYSA-N 446.982 2.632 0 50 IFAA Cc1cc(C)c(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCN(C)C[C@H]43)C2=O)c(C)c1 245325190 CWXZDUSVXLAMMQ-NBGIEHNGSA-N 432.524 2.558 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)nc4ccc(F)cc34)CC2)c(C)c1 1875259669 VVSCXGXEDZTUDZ-UHFFFAOYSA-N 443.500 2.843 0 50 IFAA C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2nccc3nccnc23)C1=O 1875362097 QZLAKXGJWVFUKD-QHCPKHFHSA-N 426.436 2.584 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)CCc2cccc(Cl)c2)CC1=O 2325819616 LDQOSOZJAWNYFY-MAUKXSAKSA-N 434.945 2.938 0 50 IFAA Cc1cnc2c(C(=O)NC3(CNC(=O)[C@H](C)OC4CCCCCC4)CCC3)cnn2c1 2325828740 PWNQBTSITLYWNV-KRWDZBQOSA-N 427.549 2.934 0 50 IFAA COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 2875740 VTKLJXCBXOTXLU-UHFFFAOYSA-N 432.498 2.584 0 50 IFAA CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 5225228 QDNZZJKMKPJBKK-IBGZPJMESA-N 428.510 2.923 0 50 IFAA biogenic Cc1c(C(=O)NCCc2cccnc2)cnn1-c1nccc(-c2ccc3c(c2)OCO3)n1 11790674 VEZMZHDKWWAOHC-UHFFFAOYSA-N 428.452 2.734 0 50 IFAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2csc(C(C)C)n2)cc1 11874677 SLTNROFCOFYVKY-LJQANCHMSA-N 430.574 2.672 0 50 IFAA CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2ccccc2F)C3)n(C)n1 11995453 LBJAJVDBKCKNIG-UHFFFAOYSA-N 435.503 2.954 0 50 IFAA CC(C)N(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 12316130 GSWKCOQEHRNZMO-JOCHJYFZSA-N 433.556 2.701 0 50 IFAA COc1ccc(-c2ccnc(-n3ncc(C(=O)N4CCN(C)CC4)c3C3CC3)n2)cc1F 14990046 HLYYBKOPULGRJU-UHFFFAOYSA-N 436.491 2.742 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c(C)c1 15671278 QSGDYRKKGNIWQR-UHFFFAOYSA-N 429.590 2.903 0 50 IFAA CCOc1ccc(/C=c2\sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)cc1OC 16265033 OHQPFVSNZFVSEC-UNOMPAQXSA-N 437.477 2.698 0 50 IFAA Cc1sc2nc(SCC(N)=O)n(NC(=O)CSCc3ccccc3)c(=O)c2c1C 19647992 NDKMGUCUFIQARU-UHFFFAOYSA-N 448.595 2.656 0 50 IFAA COc1ccc(NC(=O)CN2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)cc1 170599765 STMRLLYXWYNMLO-GOSISDBHSA-N 448.564 2.519 0 50 IFAA CC(C)N1CCC(N2CCN(C(=O)N[C@@H](c3ccccc3F)c3nccn3C)CC2)CC1 434064018 UMPCUDDPHYUYGB-QFIPXVFZSA-N 442.583 2.849 0 50 IFAA CC1(C)CN(c2ccc(Cl)cc2)CCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 490531235 LNJQSGFGDHITEA-UHFFFAOYSA-N 432.937 2.605 0 50 IFAA COc1cc2c(cc1O)CCN(C(=O)CCN1C(=O)C[C@](C)(c3ccccc3)C1=O)[C@H]2C 888105508 GLRFFBQQMQAVCY-IVCQMTBJSA-N 436.508 2.953 0 50 IFAA O=C(c1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc23)cc1)N1CCOCC1 1704343469 HSEWGUZUDLMEPM-UHFFFAOYSA-N 426.538 2.925 0 50 IFAA Cc1cc(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)n(C)n1 1857702947 JOWSDFDXRNYUQK-NRFANRHFSA-N 446.617 2.989 0 50 IFAA O=C(c1ccc(O)nc1)N1CC[C@@H]([C@H]2CCCCN2C(=O)c2coc(-c3cccnc3)n2)C1 1875359331 APUPDXCXSDRMLK-UYAOXDASSA-N 447.495 2.994 0 50 IFAA COC(=O)c1c(S(=O)(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)cnn1C 2325820168 CTYLCPAFDIGMOQ-UHFFFAOYSA-N 432.329 2.957 0 50 IFAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1 814000 XUKNUZWNTRJKHR-UHFFFAOYSA-N 425.510 2.598 0 50 IFAA CCc1c(-c2ccccc2)n(-c2ccc(OC)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 1078387 ZASIAPIYVRNVKZ-UHFFFAOYSA-N 429.480 2.914 0 50 IFAA O=C(NCc1c(F)cccc1F)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 11871240 OGALFISJBQTEHX-UHFFFAOYSA-N 437.446 2.997 0 50 IFAA Cc1nonc1CC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 12091899 VLUIFKCFVHUKSP-HSZRJFAPSA-N 438.572 2.808 0 50 IFAA O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C(=O)CCc3ccccc3)CC2)CC1 15064047 QGTIWFRODBMMGO-QHCPKHFHSA-N 427.589 2.617 0 50 IFAA CC(C)NC(=O)c1cn(CCN2CCN(CC(c3ccccc3)c3ccccc3)CC2)nn1 23362872 JRVGWIGKKQWEMS-UHFFFAOYSA-N 446.599 2.866 0 50 IFAA CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cnc2ccccc2c1 170613283 VBGJIQPNXYDJHM-UHFFFAOYSA-N 427.482 2.655 0 50 IFAA O=S(=O)(Nc1nccn1-c1ccccc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 170617367 ODOQUZJAXMAQFV-UHFFFAOYSA-N 431.417 2.967 0 50 IFAA CSCC[C@@H](NC(=O)COc1ccc(-c2nnn(C)n2)cc1)c1nc2ccccc2[nH]1 223212299 UQGNOCQVMZVHGD-GOSISDBHSA-N 437.529 2.743 0 50 IFAA COCCn1cc([C@H]2[C@@H](C(=O)Nc3cnc(C4CC4)nc3)CC(=O)N2C(C)(C)C)cn1 225455613 GOHXDNLGRBIDMB-HKUYNNGSSA-N 426.521 2.524 0 50 IFAA O=C(CCc1ncc(-c2ccccc2)o1)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 888090718 PHWLYWCPUKHWOE-QUCCMNQESA-N 432.524 2.671 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1cccc(NC(=O)c2cccnc2)c1)c1cccc(F)c1 952988995 BJKUIVKSXPBEOM-UHFFFAOYSA-N 442.472 2.878 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)Cc2ccccc2)cc1 4090457 PILIGMUKPWEDNX-UHFFFAOYSA-N 425.510 2.598 0 50 IFAA COc1ccc(CN2CCC[C@@H](n3cc(C(=O)NCC(C)C)nn3)C2)c(OC)c1OC 11911181 PVUVJAJUTKHZES-QGZVFWFLSA-N 431.537 2.527 0 50 IFAA COc1ccccc1[C@]1(CC(=O)N2CCN(c3cc(C)ccc3C)CC2)CC(=O)N(C)C1=O 12041831 QNLKUQCDDRHRBK-AREMUKBSSA-N 449.551 2.677 0 50 IFAA CCc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(OC)c2OC)cc1 12575826 KYEAYCRRHNJFST-NRFANRHFSA-N 439.556 2.615 0 50 IFAA O=C(NCCCN1CCOCC1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 12845535 LGNZOCCREPMYEY-QZTJIDSGSA-N 437.466 2.996 0 50 IFAA CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCN(Cc3cccs3)CC2)c1=O 15068868 HUKAZEFNTWXHHA-UHFFFAOYSA-N 442.585 2.733 0 50 IFAA CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)O)CC2)cc1 17099010 BITXEBFLCLSHDA-PMACEKPBSA-N 434.558 2.529 0 50 IFAA CCc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)no1 19147157 BWFZEOUTQMEPDQ-GOSISDBHSA-N 425.533 2.613 0 50 IFAA O=C(NCCCN1CCOCC1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 19535010 LOWXCVJKNJQJFU-UHFFFAOYSA-N 433.434 2.867 0 50 IFAA COc1cc(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1O 19789502 NWWFYSHJIMQKBD-UHFFFAOYSA-N 432.517 2.753 0 50 IFAA biogenic Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 241171000 KDLLZBQBJKFOFS-QRVBRYPASA-N 425.529 2.724 0 50 IFAA CS(=O)(=O)c1cccc([C@H](NC[C@@H](O)COCC2CC2)c2ccc(F)c(F)c2)c1 490178740 QMUZUZCFSZGVAI-UTKZUKDTSA-N 425.497 2.835 0 50 IFAA COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(S(N)(=O)=O)cc2)c1 798335750 RZGYFYHJBZVYRU-JOCHJYFZSA-N 440.521 2.719 0 50 IFAA O=C(NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2)c1ccc(=O)n(-c2cccc(F)c2)c1 811213535 XYUHYRKKTDPCKS-UHFFFAOYSA-N 440.452 2.614 0 50 IFAA O=C(O)c1cc(-c2cn(C[C@H]3CCN(C(=O)[C@H]4CCc5ccccc5C4)C3)nn2)ccn1 1875355501 LNTIQJRXMHVXGO-JXFKEZNVSA-N 431.496 2.692 0 50 IFAA C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)c2C(N)=O)C1 2843139 GWKDXTYYOXCTSB-JTQLQIEISA-N 431.539 2.870 0 50 IFAA COc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1 2871661 SGJXTHKHYAYUAV-LBPRGKRZSA-N 446.558 2.810 0 50 IFAA O=C(N[C@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1ccccc1Cl 3053159 KUTAKUIUVFMMHK-GFCCVEGCSA-N 431.172 2.973 0 50 IFAA Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)cc1OCC(=O)NC1CCCCC1 8670707 DMORMVRLLXPVOL-MRXNPFEDSA-N 444.981 2.933 0 50 IFAA CN(CCO)C(=O)c1cn([C@H]2CCCN(Cc3ccc4c(c3)Cc3ccccc3-4)C2)nn1 12133415 WJVUQPCCFBVKDW-NRFANRHFSA-N 431.540 2.751 0 50 IFAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N[C@H]4CCOC4)c3C3CC3)n2)c1 12213519 RSVJFTKYRLKKKG-HNNXBMFYSA-N 435.484 2.743 0 50 IFAA CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)N2CCOC)cc1 13152806 BCTZOMOTXNNNQW-FQEVSTJZSA-N 441.484 2.906 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCC1CCOCC1 14977506 SAYKQCUGAHFYRQ-XMMPIXPASA-N 435.568 2.552 0 50 IFAA CC(=O)N1CCCN(Cc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)CC1 15063605 ZMCRNBMCDJRSPT-XMMPIXPASA-N 425.573 2.613 0 50 IFAA COc1ccccc1NC(=O)c1cc(C(N)=O)c(SCC(=O)c2ccccc2)nc1N 18265431 KXLLXWRJQGYLHI-UHFFFAOYSA-N 436.493 2.999 0 50 IFAA O=C(NCCc1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2)c1ccoc1 19836261 NUYBMEVJVXDGAB-UHFFFAOYSA-N 433.434 2.921 0 50 IFAA CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O 25693166 GHEIPEXVLWLMRH-RTWAWAEBSA-N 436.512 2.632 0 50 IFAA COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3nc(C)c(C)s3)C2=O)cc1OC 170625548 UKODLASTLTXOLP-HNNXBMFYSA-N 446.529 2.659 0 50 IFAA CCOC(=O)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1c(C)nn(-c2ccccc2)c1C 225668234 FTVYTCPPWLJDCC-WMZOPIPTSA-N 438.450 2.846 0 50 IFAA O=C(OCc1ccccc1)N1CCC(CS(=O)(=O)NCc2nccnc2Cl)CC1 241139467 JRDOIUKACMHURD-UHFFFAOYSA-N 438.937 2.598 0 50 IFAA COc1ccc(CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)cc1F 263616694 KCBJGFJPGNKQDR-UHFFFAOYSA-N 426.433 2.860 0 50 IFAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1cnn(-c3ccccc3OC)c1)CC2 824091041 OMXXRFCXMUCCEQ-UHFFFAOYSA-N 447.543 2.507 0 50 IFAA CC(C)Sc1nnc(NC(=O)C[C@@H]2COc3ccc(C(=O)N(C)C)cc3N2C)s1 1506408315 XHOXNCYWEUSBHU-CYBMUJFWSA-N 435.575 2.966 0 50 IFAA CNC(=O)[C@@H](NC(=O)COC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1)c1ccccc1 2325873684 PTHCJWHTCJJMIN-QHCPKHFHSA-N 442.475 2.990 0 50 IFAA CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1 593414 ULRDYYKSPCRXAJ-KRWDZBQOSA-N 438.615 2.877 0 50 IFAA investigational O=C(NCc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1078775 LWXRDJGGFLSGRM-HNNXBMFYSA-N 438.347 2.561 0 50 IFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc(Br)c1O 4156465 IPMQQBDJBJNGQA-CYBMUJFWSA-N 431.308 2.697 0 50 IFAA O=C1NC(=O)[C@@](Cc2ccccc2F)(C2CCN(C(=O)c3ccc(F)cc3F)CC2)N1 12040802 VWJWBHVBGAIXKM-JOCHJYFZSA-N 431.414 2.777 0 50 IFAA O=C(NCCN1CCOCC1)c1ccc(N2CCC(NCc3cccc(F)c3)CC2)cc1 12242903 LGXYNFBWPNGUNI-UHFFFAOYSA-N 440.563 2.646 0 50 IFAA COCc1ccc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)Cc2cscn2)C3)o1 12454209 LWMBUORTFSSVFK-UHFFFAOYSA-N 440.525 2.643 0 50 IFAA CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1S[C@H](C)C(=O)NC(C)(C)C 13956553 NHVARSREJJQXHV-CQSZACIVSA-N 433.578 2.561 0 50 IFAA CN(C)CCCN1C(=O)N(CCc2ccccc2)C2(CCN([C@H]3CCSC3)CC2)C1=O 14748943 WACWFIHMQPBURD-NRFANRHFSA-N 444.645 2.785 0 50 IFAA CCN(Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 20599138 OHJSXZSTPVUEED-HSZRJFAPSA-N 427.589 2.704 0 50 IFAA O[C@@H](COc1cccc2c1CCC/C2=N\Nc1nncc2ccccc12)CN1CCOCC1 96028141 SFIIPLZCTLFSRI-WRQPMBBJSA-N 447.539 2.854 0 50 IFAA CCOC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 100914964 YSXRGUIBWUOMJG-DOTOQJQBSA-N 442.269 2.746 0 50 IFAA O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NC1CCN(Cc2ccccc2)CC1 169760149 ZWVYRSVBEFQCRU-UHFFFAOYSA-N 433.556 2.546 0 50 IFAA CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 170636595 MKLVKBUBLCQRRR-JLZZUVOBSA-N 427.314 2.980 0 50 IFAA O=C(CNS(=O)(=O)c1ccc(Br)cc1Cl)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 241383174 MTAXDTYAUUUWEA-ONPDHZDVSA-N 433.755 2.542 0 50 IFAA CC[C@H](C)[C@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 252484648 GCNJGALYGGLTRY-XCRHUMRWSA-N 439.965 2.700 0 50 IFAA CC(C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 263617254 MXZJOEMZRNRLPY-SFHVURJKSA-N 431.924 2.580 0 50 IFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 734801576 PRGFISFBMFYWQY-SQJMNOBHSA-N 443.507 2.899 0 50 IFAA COc1cc2c(cc1OC)CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC1CCOCC1)C2 888090783 UUTIKTWIIAPHLQ-SFHVURJKSA-N 434.533 2.908 0 50 IFAA Cc1ccc(NS(=O)(=O)CCNC(=O)N=c2ccn(-c3ccc(F)cc3C)[nH]2)cc1F 2325733296 KFDFCBXHWBWRNM-UHFFFAOYSA-N 449.483 2.753 0 50 IFAA CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccccc2)cc1 916127 BLPOPYSGKSKLFE-UHFFFAOYSA-N 425.510 2.992 0 50 IFAA O=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)N1CCOCC1 955648 GBFKKUNCNBCURK-UHFFFAOYSA-N 434.315 2.746 0 50 IFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(I)c(O)c(OCC)c1 997281 KPNZMMIMIZQHTL-ZDUSSCGKSA-N 446.241 2.587 0 50 IFAA CCCCN1C(=O)[C@@](NC(=O)c2ccccc2OC)(C(F)(F)F)C(C(=O)OC)=C1C 2875724 ATEZTCSAKXQZNA-LJQANCHMSA-N 428.407 2.815 0 50 IFAA CN(CC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 2880278 QAJXIXJMLYOBCJ-UHFFFAOYSA-N 425.348 2.819 0 50 IFAA CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)cc2C[C@@H]1C 9396977 MWQCKZUFRYJCPX-SJORKVTESA-N 447.601 2.643 0 50 IFAA CCOC(=O)c1ccc(CNCc2ccc(OC)c(OC[C@H](O)CN(C)C(C)C)c2)o1 11759078 MUSOSSDMLJEKOA-GOSISDBHSA-N 434.533 2.835 0 50 IFAA Cc1ccc(C)c(C(=O)N2CCC(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)c1 11956832 GDNTYJQSDHIFMN-JOCHJYFZSA-N 427.589 2.915 0 50 IFAA O=C([C@H]1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1)N1CCOCC1 12031293 CRIJXQYTOBDCGW-INIZCTEOSA-N 438.450 2.750 0 50 IFAA COc1ccc(-n2c(CCNC(=O)c3cccc(OC)c3OC)nnc2SC)cc1 14978142 KADIPBFFZPVGQS-UHFFFAOYSA-N 428.514 2.988 0 50 IFAA Cc1noc(-c2cn(C3CCN(C(=O)Cc4ccc(Br)cc4)CC3)nn2)n1 169777324 FURFSSIMXMRAQD-UHFFFAOYSA-N 431.294 2.805 0 50 IFAA C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN([C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)C1 229702742 SEEIOXKGHDVQFJ-IYWMVGAKSA-N 432.584 2.514 0 50 IFAA O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239310297 IHTKLVMKCOTJQU-WXDXSDFVSA-N 426.516 2.967 0 50 IFAA COCCN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 409413041 AHHVMYRUENLJJI-WIYYLYMNSA-N 428.581 2.780 0 50 IFAA C[C@@]1(c2cccc(CNC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)NC(=O)NC1=O 1322307362 FIDXSGVKVPGKTO-DEOSSOPVSA-N 446.511 2.707 0 50 IFAA C[C@@H]1CCCCN1CCCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791837 MZDHPJAHNFASNQ-LJQANCHMSA-N 448.567 2.927 0 50 IFAA CCOC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)NC(=O)N(C)[C@@]1(O)C(F)(F)F 11859225 KYIWLCVIVOVHDH-WDMOLILDSA-N 425.201 2.575 0 50 IFAA COc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)c(OC)c1 13944080 QQEOHRPXLRBKSZ-MRXNPFEDSA-N 427.476 2.545 0 50 IFAA CCOc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)cc1 16447835 OHGDAEULSXWUGY-IBGZPJMESA-N 436.505 2.715 0 50 IFAA CCOC(=O)c1c(NC(=O)[C@@H](CC)Sc2nc(N)cc(=O)[nH]2)sc2c1CCCC2 18094083 BCJNBDYXAOFBPN-LLVKDONJSA-N 436.559 2.979 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccccc3OCCO)C2)CC1 19841592 MOLRVHFTZQILKH-JOCHJYFZSA-N 425.573 2.853 0 50 IFAA CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(F)c4)c(C)c3)nc2)CC1 116933276 AXXNRMISICMFNS-UHFFFAOYSA-N 448.502 2.836 0 50 IFAA CN(C)CC(C)(C)CNCc1cc2cc3c(cc2nc1N1CCC[C@H](CO)C1)OCO3 828711152 JRPSPDNNTVHKIY-KRWDZBQOSA-N 428.577 2.850 0 50 IFAA NC(=O)CNC(=O)c1cccc(OC(=O)c2ccc(Oc3ccc(Cl)cn3)cc2)c1 1341788568 YUQCLQQFCRFNCV-UHFFFAOYSA-N 425.828 2.962 0 50 IFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cccc(-c3cn[nH]c3)c2)cn1 1857724309 UMCWIHAESAKDFG-GOTSBHOMSA-N 434.544 2.878 0 50 IFAA O=C(CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)N(CCO)CCc1ccccc1 1875253453 JEBGGINUWSMJFS-UHFFFAOYSA-N 443.975 2.832 0 50 IFAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@@H](N(C)C)C3)c2)C1 1875254421 RUAGMTMEFKYROU-BZUAXINKSA-N 427.998 2.783 0 50 IFAA CCN1C[C@@H](NC(=O)c2cc(F)c(-c3cn(CCCCC(=O)O)nn3)cc2F)[C@H](C)C1 1875356299 SUSYKUXUDZGMHD-FZKQIMNGSA-N 435.475 2.548 0 50 IFAA CS(=O)(=O)N1CCO[C@H](CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CCCC2)C1 2356163298 XBCZYVZVLQQZFR-CQSZACIVSA-N 435.373 2.582 0 50 IFAA COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(NC(C)=O)c3)n2C)cc1 694099 QWXSTYMDSAETPJ-UHFFFAOYSA-N 439.497 2.958 0 50 IFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NCc1ccccc1 1126629 AQXXALMZFUQTLT-OAQYLSRUSA-N 439.537 2.738 0 50 IFAA CCN(CC)[C@@H]1CCN(C(=O)c2cn(C(C)C)cc(C(=O)NCc3ccccc3)c2=O)C1 11910507 SHVSTTFCNZSIKU-HXUWFJFHSA-N 438.572 2.916 0 50 IFAA O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 11933363 RSDNVJPXOIQMOT-LJQANCHMSA-N 448.567 2.866 0 50 IFAA CC(C)CN1C[C@H](OCc2cccc(F)c2)CN(C(=O)c2[nH]nc3c2CCCC3)CC1=O 14534611 HVSGPWVOMSXNRW-IBGZPJMESA-N 442.535 2.953 0 50 IFAA CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)OC 25691970 YAMQCWSSFXUFGP-NDXORKPFSA-N 442.512 2.934 0 50 IFAA NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCCCC4=O)cc3)cc2)C1 117576604 FKCSQZOWYYUCKS-FQEVSTJZSA-N 434.540 2.835 0 50 IFAA O=C(N[C@@H]1CCCN(C(=O)NCC(=O)N2CCc3ccccc32)C1)c1cc2ccccc2o1 445732680 LUMVZZHCRYCHBN-LJQANCHMSA-N 446.507 2.926 0 50 IFAA Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC[C@H](O)c3ccncc3)c2)cc1 750473338 ZFSUDBYNVMXANG-NRFANRHFSA-N 425.510 2.679 0 50 IFAA CN(c1ccccc1)c1ccc(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cn1 1471270561 AVSFNCYJPVNADY-UHFFFAOYSA-N 429.480 2.831 0 50 IFAA COc1cc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)ccc1F 2100534573 OCRZXZXUBAWAIV-UHFFFAOYSA-N 428.508 2.647 0 50 IFAA COc1cc(CN2CCC[C@H](n3cc(C(=O)NCC(C)C)nn3)C2)cc(OC)c1OC 12283375 GFGDJUCWJOZIFX-KRWDZBQOSA-N 431.537 2.527 0 50 IFAA CC(C)N(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 12316129 GSWKCOQEHRNZMO-QFIPXVFZSA-N 433.556 2.701 0 50 IFAA O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 101889547 NUTXLJRMNAMPLA-RPLLJCPNSA-N 434.286 2.596 0 50 IFAA C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)O[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C 248323069 XMMLNGJTNAUWCH-APIJFGDWSA-N 430.954 2.728 0 50 IFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2c(F)cccc2F)CCO3)CC1 299757297 KQKOLBFGBZCDDB-UHFFFAOYSA-N 429.467 2.664 0 50 IFAA COC(=O)c1nc(NC(=O)[C@@H](CCSC)n2c(O)nc3ccccc3c2=O)sc1C 888089599 QKBOGKQNMIQSFS-CYBMUJFWSA-N 448.526 2.587 0 50 IFAA COC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N(C)Cc2ccsc2)CC1 1875255841 MECRYJWXEYWAAK-HXUWFJFHSA-N 443.569 2.912 0 50 IFAA Cc1nnc(C2CCN(C(=O)C(=O)NCc3noc(-c4ccccc4)c3C)CC2)s1 2325819171 YEYYFQDINMUVIC-UHFFFAOYSA-N 425.514 2.832 0 50 IFAA NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(I)cc2)cc1 1121650 SEIMHCCIWFTIKQ-UHFFFAOYSA-N 433.296 2.748 0 50 IFAA COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCOCC1 3565886 MVQTUANIUIZSIM-UHFFFAOYSA-N 428.869 2.761 0 50 IFAA O=C(NCc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 6492171 RJLYCJQZOKHVQN-OAHLLOKOSA-N 438.347 2.561 0 50 IFAA O=C(CCC1CCN(C(=O)C(=O)c2ccco2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 11753950 XVJNSJNRIGVDLZ-NRFANRHFSA-N 437.540 2.872 0 50 IFAA Cc1ccn(CC(=O)N2CCc3c(cnc(C)c3CNC(=O)CCOc3ccccc3)C2)n1 11787414 QLVHKONQMPMFGY-UHFFFAOYSA-N 447.539 2.565 0 50 IFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F 15019295 DNXMKSNASQVTHU-UHFFFAOYSA-N 429.468 2.880 0 50 IFAA CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2cnc(N3CCOCC3)s2)CC1 20452021 HAPGGRKNINHRLV-UHFFFAOYSA-N 432.594 2.998 0 50 IFAA CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 20538392 SBXKHZYLHQJQQV-KRWDZBQOSA-N 445.511 2.602 0 50 IFAA Fc1ccc(Br)nc1-c1noc(C2CCN(c3ccc4nncn4n3)CC2)n1 225515345 OFHNUTAZGMMWKL-UHFFFAOYSA-N 445.256 2.855 0 50 IFAA COc1ccc([C@H]2Cn3nnc(CN4CCN(C(=O)c5ccccc5)CC4)c3CO2)cc1 263616302 HZMSCDSKFDPSDU-HSZRJFAPSA-N 433.512 2.516 0 50 IFAA COc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1N(C)S(=O)(=O)c1ccccc1 813358 OVIWQLIFYHDOEC-UHFFFAOYSA-N 435.527 2.571 0 50 IFAA CCOc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)cc1 832100 YZZLSNFEDVDLLR-UHFFFAOYSA-N 425.510 2.992 0 50 IFAA CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OCC)[C@H]1c1ccc(Cl)cc1 1076504 RWZPGZUNGRUYDQ-MFKMUULPSA-N 436.917 2.909 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc1 2786405 KBYBARVBCGTAKY-HXUWFJFHSA-N 427.570 2.745 0 50 IFAA CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 2886305 OLRUFFZRVNCYQH-UHFFFAOYSA-N 442.946 2.743 0 50 IFAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C1CCSCC1)CC2 14534552 OIULVONAGSFMOQ-UHFFFAOYSA-N 446.617 2.655 0 50 IFAA COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN([C@H](C)CO)CC2 14743167 ACLSXJQSGCZNGT-LJQANCHMSA-N 439.556 2.856 0 50 IFAA O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1cc(F)cc(F)c1)CC2 19300378 HOSWHKURGWUXDZ-UHFFFAOYSA-N 443.473 2.655 0 50 IFAA CC(C)[C@H](NC(=O)N1c2ccccc2N=C(O)[C@H]1C(C)C)C(=O)N1CCC[C@H]1C(=O)O 253487594 MKGAFIGIUOMEDF-OKZBNKHCSA-N 430.505 2.929 0 50 IFAA CCc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)nnn1CCc1ccc(OC)cc1 1875252108 WXSKONYOCKZQRG-UHFFFAOYSA-N 444.513 2.664 0 50 IFAA CCCCNC(=O)[C@@H](c1cnc(N(C)C)nc1)N(C(=O)c1ccccc1)c1ccn(C)n1 2325826406 ADNRFVPSIJHHTG-HXUWFJFHSA-N 435.532 2.581 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)N(CCO)C(=O)C2(c3ccc(Cl)cc3)CC2)cc1 2325842079 NOAWIBMSOJJUGR-UHFFFAOYSA-N 436.917 2.540 0 50 IFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1OC 686837 JRGIBQHORXEBTH-UHFFFAOYSA-N 432.420 2.982 0 50 IFAA CCn1nc(C)c(CNC(=O)CC[C@@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)c1C 12218562 MRPXCAFEPHCLLX-QHCPKHFHSA-N 430.524 2.955 0 50 IFAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N(C)C[C@H](O)c2ccccc2)CC1 12373760 XULCEBNTCWQTNG-NRFANRHFSA-N 426.513 2.508 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F)NCc1nc2ccccc2s1 14950527 DMJIPMDOLDNHJA-MRXNPFEDSA-N 430.480 2.581 0 50 IFAA Cc1ccc(OC[C@@H](O)CN2CCN(C[C@@H](O)COc3ccc(C)cc3C)CC2)c(C)c1 22942680 NZKIJLNQPNZRLF-PSWAGMNNSA-N 442.600 2.717 0 50 IFAA O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccccc1 100603508 HMOOHAJODBTTHZ-CWMMHYCISA-N 429.472 2.831 0 50 IFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2cccc(F)c2)C2=C1C(=O)OC2 169758173 QOZUFHQGHCMDEA-FQEVSTJZSA-N 425.416 2.740 0 50 IFAA COc1ccc(-c2noc([C@@H](CCS(C)(=O)=O)N3C(=O)c4ccccc4C3=O)n2)cc1 225525416 WWVITMXNWBFBHK-QGZVFWFLSA-N 441.465 2.517 0 50 IFAA COc1ccc(N2C[C@@H](C(=O)N3CCC(c4noc(C(C)C)n4)CC3)CC2=O)cc1OC 328592160 DSVZRQAXDCXTAC-INIZCTEOSA-N 442.516 2.969 0 50 IFAA O=C(N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1)c1cc2c(s1)-c1ccccc1OC2 2325770844 NORNKMWGYAOURK-YZGUTLMUSA-N 447.534 2.848 0 50 IFAA Cc1nc(CNC(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)cs1 11880101 FAAOTRATBHZBPC-UHFFFAOYSA-N 443.978 2.838 0 50 IFAA CN(Cc1nccn1C)C(=O)c1ccccc1OC1CCN(C(=O)c2cccnc2)CC1 11936515 RDAHGRRGSMEZFY-UHFFFAOYSA-N 433.512 2.771 0 50 IFAA CCC(CC)CN1CCc2c(C(=O)N(C)Cc3cscn3)c(OC)cc(=O)n2CC1 12039267 UKFRBVMVWLLNOT-UHFFFAOYSA-N 432.590 2.880 0 50 IFAA O=C(NCC1CC1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 169758606 KJDMJYNPUQNVJU-FQEVSTJZSA-N 426.492 2.672 0 50 IFAA Cc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](NC(=O)Nc4ccc(F)cc4)C3)C2=O)cc1 745855335 YCMQKLNZXSTYED-QUCCMNQESA-N 439.491 2.845 0 50 IFAA COC(=O)C[C@H](c1ccc(OC)cc1OC)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089170 MMNWZFYQSGQXAE-GOSISDBHSA-N 441.484 2.540 0 50 IFAA O=C1CCCN(S(=O)(=O)N2CCCC2)CCOc2cccc(c2)CC[C@H]2CCCCN12 1857704158 GISCWQUGUNMCBL-OAQYLSRUSA-N 449.617 2.816 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(-n4cc(-c5cccc(C6CCC6)c5)nn4)ccc3C2=O)C(=O)N1 1875355350 HNPRSUIIWMSPOQ-JOCHJYFZSA-N 441.491 2.963 0 50 IFAA O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1C(=O)[C@]1(C2CCCC2)CCNC1=O 2325850571 BPRFJSBHWWJUHR-AOMKIAJQSA-N 426.542 2.922 0 50 IFAA COC(=O)c1cc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(C(=O)OC)c1 2993266 LIMQSRYYTCBAKB-VOTSOKGWSA-N 429.425 2.938 0 50 IFAA COc1ccccc1N1CCN(C(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)CC1 8584686 SVPXLDJICZDKIL-UHFFFAOYSA-N 436.537 2.886 0 50 IFAA COc1cc(=O)n2c(c1C(=O)N[C@H](C)c1ccco1)CCN(C(=O)c1cccc(C)c1)CC2 11783080 QLYMSAZAQJZZID-QGZVFWFLSA-N 449.507 2.948 0 50 IFAA Cc1nc(CC(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cs1 11815030 FXZGBRIMTYFTIO-IBGZPJMESA-N 441.601 2.757 0 50 IFAA Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)n1 12761236 NWGXCYFHMJJOJJ-MRXNPFEDSA-N 436.603 2.876 0 50 IFAA CN1CCCC[C@@H]1CNC(=O)[C@H]1CC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C1 39400136 NZLGNTQLTBFDFQ-GDBMZVCRSA-N 444.532 2.880 0 50 IFAA O=C1NCCN(Cc2c(F)cccc2Cl)[C@H]1CC(=O)N1CCOc2ccccc2C1 55359393 GTWFNFXZXYSCJD-IBGZPJMESA-N 431.895 2.591 0 50 IFAA O=C(NCc1ccccc1Cl)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 169773441 IJOGHNOGFMQHBT-UHFFFAOYSA-N 427.888 2.871 0 50 IFAA COC(=O)C1(NC(=O)Cn2ncc3c2[C@@H](NC(=O)OC(C)(C)C)CCC3)CCCCC1 170595699 VCMBPRAIRDZEAA-INIZCTEOSA-N 434.537 2.777 0 50 IFAA C[C@H]1C[C@H](CC(=O)NCCN2Cc3ccccc3O[C@H](c3ccccc3)C2)NC(=S)N1 209092535 ASCAZSQXAAXJBI-WEYGHZABSA-N 438.597 2.754 0 50 IFAA COc1ccc(CNC(=O)[C@@H](C)OC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc1 221961422 VRVCWUCKXQXBNK-ZHHTXFFKSA-N 428.529 2.718 0 50 IFAA C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1cccs1 252445397 NOOGSQKYXXLPNB-APWZRJJASA-N 449.598 2.933 0 50 IFAA CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(C(N)=O)CC2)CC1 252515762 NFLMBAJPCIVHSK-CEMLEFRQSA-N 427.589 2.900 0 50 IFAA COCCCCS(=O)(=O)N1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 476507759 ICGZPJTXCADFCY-HXUWFJFHSA-N 437.562 2.627 0 50 IFAA CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1=O 812254232 DGNNTROXRYVPJO-QHCPKHFHSA-N 444.532 2.817 0 50 IFAA CS(=O)(=O)CCC(=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857705134 UIYXXZGINKBVGC-NRFANRHFSA-N 436.618 2.910 0 50 IFAA Cc1csc(C(=O)NC[C@H]2CCCCN2)c1S(=O)(=O)N1CCc2ccccc2C1 1875304982 BKKNIIWBCRTAOR-GOSISDBHSA-N 433.599 2.675 0 50 IFAA COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nc(Cl)nc3c2CCCC3(C)C)C1 1875330053 KUJKAQGWGSGFRF-AWEZNQCLSA-N 431.002 2.621 0 50 IFAA Cn1nnc2cc(S(=O)(=O)Nc3nnc(Nc4ccc(C(F)(F)F)cc4)o3)ccc21 1875352866 SASVOBQSGFLYHS-UHFFFAOYSA-N 439.379 2.915 0 50 IFAA Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCc3ccccc3[C@H]2CC(=O)O)c(C)c1 2325877762 ZIRAWMCZXCYVMQ-HXUWFJFHSA-N 444.553 2.881 0 50 IFAA C[C@@H]1Cc2ccccc2[C@@H](C)N1C(=O)Nc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325901699 UNWMLKFGCRKYNB-PZPWOCDFSA-N 446.507 2.987 0 50 IFAA O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 1460008 NMHMEKYZJDVBGP-CYBMUJFWSA-N 427.737 2.659 0 50 IFAA COc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(OC)cc1Br 2497761 XCAGRCVEEZCJDN-UHFFFAOYSA-N 430.276 2.674 0 50 IFAA O=C(O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(CO)c3ccccc32)cc1 9860971 JNFXIHPHMSORHL-OLJONYEBSA-N 425.440 2.928 0 50 IFAA CCC(CC)CN1CCc2c(C(=O)OC)c(OCCCc3cnn(C)c3)cc(=O)n2CC1 11881055 VCOGCKCYDOQUPZ-UHFFFAOYSA-N 444.576 2.674 0 50 IFAA CCN(CC)CCN(CC)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1COC 12155851 IEKOUMWJWFLGDV-UHFFFAOYSA-N 426.521 2.873 0 50 IFAA CCn1nc(C)c(CNC(=O)CC[C@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)c1C 12218563 MRPXCAFEPHCLLX-HSZRJFAPSA-N 430.524 2.955 0 50 IFAA COc1cccc(CCC(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)c1 12279528 ULLISKSULXATMC-IBGZPJMESA-N 425.533 2.583 0 50 IFAA CCN1C(=O)C[C@](CC(=O)N2CCC(COC)CC2)(c2cccc(C(F)(F)F)c2)C1=O 14878853 MEJQGOSIALTBGG-OAQYLSRUSA-N 440.462 2.997 0 50 IFAA Cc1ccc(OCc2c(C(=O)NCC(C)C)c(=O)cc(C)n2CCN2CCOCC2)cc1 20778250 GDYOLOHGIYDQNQ-UHFFFAOYSA-N 441.572 2.762 0 50 IFAA O=C(Cc1ccsc1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20992624 XNERPYSWOUIXNM-FQEVSTJZSA-N 427.570 2.828 0 50 IFAA O=C(O)C/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)COc1cccc(C(F)(F)F)c1 43772298 JJUBZOCIDPWZFS-AXWXDYOSSA-N 430.419 2.780 0 50 IFAA in-vitro COC(=O)CCC(=O)[C@@H](C(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)OC 100721940 WOMJYBWJZQOGDK-GOSISDBHSA-N 446.283 2.983 0 50 IFAA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 220962981 RHQYAFKFNZOQMD-YVLHZVERSA-N 444.484 2.986 0 50 IFAA COc1cccc(-c2ccc(=O)n(CC(=O)N[C@H](CC(C)C)c3nnc4ccccn34)n2)c1 223223229 FTQGYCMTQVAHRC-HXUWFJFHSA-N 446.511 2.865 0 50 IFAA CNC(=O)C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 225475589 HVHQUZPISXSISF-ROUUACIJSA-N 444.329 2.796 0 50 IFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)C1 301237445 DJCBMHPALGSZEU-QZTJIDSGSA-N 436.574 2.973 0 50 IFAA Cc1cc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H]3COc4ccccc4C3)c2)no1 849192953 KTXUQZVNACFMMC-OAHLLOKOSA-N 427.482 2.765 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)CCc1ccccc1)C2 1857691723 AUPYNARFMNTTMW-TZBSWOFLSA-N 428.573 2.902 0 50 IFAA O=C(CCn1nc2ccccn2c1=O)OCC(=O)N1c2ccccc2CCc2ccccc21 2325729082 HQVNTSTYIGREOR-UHFFFAOYSA-N 442.475 2.893 0 50 IFAA O=C(Nc1cccc(S(=O)(=O)Nc2cn[nH]c2)c1)c1ccn(-c2c(F)cccc2F)n1 2325744011 SEOUCLCKQMCEFV-UHFFFAOYSA-N 444.423 2.927 0 50 IFAA CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=S 868476 XZBJXBIBCDZGFL-INIZCTEOSA-N 429.473 2.901 0 50 IFAA CCOC(=O)[C@@]1(C(F)(F)F)N=C(N2CCOCC2)Oc2c1c(C)nn2-c1ccccc1 3612156 NPINOMQCEYKMEP-IBGZPJMESA-N 438.406 2.582 0 50 IFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)CN4CCCCC4=O)C3)C2)c1OC 11839321 UEYOOZDRVFLXHH-DEOSSOPVSA-N 429.561 2.531 0 50 IFAA COc1ccc(NC(=O)Cn2c(=O)c3cccnc3n(-c3ccccc3)c2=O)cc1Cl 12371113 ATRURXVTCVEPAC-UHFFFAOYSA-N 436.855 2.848 0 50 IFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C2CCCC2)C1 14744268 YEZIKEHPHUKPLC-QFIPXVFZSA-N 431.577 2.536 0 50 IFAA COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(Cc2cnn(C)c2C)C3)cc1 14755831 CUWFWCXALZKOOU-UHFFFAOYSA-N 448.571 2.627 0 50 IFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 20540755 VRBDADCBNKHMBH-SFHVURJKSA-N 434.562 2.568 0 50 IFAA Cc1ccccc1OC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2)CC1 55100047 RKTLWFWAJSSQHQ-JOCHJYFZSA-N 439.531 2.895 0 50 IFAA O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1)N1CCN2C(=O)NC[C@H]2C1 431592171 LQYDMRGXVYTTKK-UDIDDNNKSA-N 446.551 2.849 0 50 IFAA COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)c3ccnc(C(=O)O)c3)c2C)c1 432126777 OTBQOFWUKMKSDS-FQEVSTJZSA-N 436.468 2.805 0 50 IFAA O=C(O)[C@@H]1CC[C@H]2CCN(S(=O)(=O)c3ccc(OC4CCOCC4)c(F)c3)[C@H]2C1 1875260354 RHNHCVQSZRJDKY-IYOUNJFTSA-N 427.494 2.647 0 50 IFAA COc1cccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc(C)c(C)c2)c1 717712 QKUJLZKSZQTHSG-UHFFFAOYSA-N 429.480 2.968 0 50 IFAA CCN(CC)C(=O)c1cn(C[C@H]2CCCN(C(=O)CCc3ccccc3OC)C2)nn1 12282585 CAQPTXOFFUQRDO-SFHVURJKSA-N 427.549 2.640 0 50 IFAA COc1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1OC 19549864 DGNBCWAIKPMVHN-UHFFFAOYSA-N 440.949 2.872 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3ccc(F)cc3F)cc2OC)CC1 20782718 JUTLCGRQWLCVLU-NRFANRHFSA-N 449.542 2.640 0 50 IFAA O=C1CCCN1CCCC(=O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55211467 JNYQXCBPKUYCRU-OAQYLSRUSA-N 432.996 2.856 0 50 IFAA O=C(Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)c1ccnc2[nH]cnc12 478707663 XQFBLEPKLDUPMK-UHFFFAOYSA-N 427.420 2.885 0 50 IFAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1csc(-c3ccc(C(F)(F)F)cc3)n1)C2 1857714715 IJNPAUSULTXOEW-OCCSQVGLSA-N 425.432 2.758 0 50 IFAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)c2csc(-c3ncccn3)n2)CCCCN1 2100533555 UWFWDXCRGGVFKA-KRWDZBQOSA-N 442.589 2.587 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2cnc3ccc(F)cc3c2)CC1=O 2325819770 PMGIJXHKTXWZTQ-WMLDXEAASA-N 441.484 2.789 0 50 IFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(OC)ccc2OC)c(OC)c1 909798 BFMCLDSCNXDABP-HXUWFJFHSA-N 427.457 2.988 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 2915878 GRAVRUWSRAODOO-FNGUVFISSA-N 434.517 2.812 0 50 IFAA CCc1nn(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)c2cc3occc3n12 8611053 FUSYDCLJQXRXGG-UHFFFAOYSA-N 439.903 2.807 0 50 IFAA COc1ccc(CCNc2ncnc3sc(C(=O)NC[C@H](C)O)c(C)c23)cc1OC 14993507 XXVTYAPLEOTDBK-LBPRGKRZSA-N 430.530 2.782 0 50 IFAA CC1=C(C)C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)[C@H](C(=O)O)C1 17099007 ZBSUUIFDHLECNH-RTBURBONSA-N 434.558 2.584 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2-c1cccc(OC)c1 20345129 UDDRXECUSKPPIQ-UHFFFAOYSA-N 449.438 2.838 0 50 IFAA CC(C)N1C[C@@H](NCc2ccc(F)c(F)c2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 23362800 OTVMFGHEKFOATF-RXVVDRJESA-N 445.510 2.993 0 50 IFAA O=C(C[C@H]1N=C(O)N(Cc2cccc(F)c2)C1=O)Nc1nc(-c2ccccn2)cs1 252537608 LSUCMBXRRMRSED-OAHLLOKOSA-N 425.445 2.998 0 50 IFAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)Nc1n[nH]c(CCc2ccccc2)n1 252550212 SHMWUKJIHRGVDP-GOSISDBHSA-N 432.484 2.634 0 50 IFAA CN(CCc1ccccn1)C(=O)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2S(C)(=O)=O 1704360438 YINWSMJDFHFVKC-GIWBLDEGSA-N 427.570 2.508 0 50 IFAA NS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2cccc(Cl)c2)co1 1875258450 AGTVKTOHQTWRMQ-SFHVURJKSA-N 434.901 2.956 0 50 IFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 1875373824 PWGOGGSXHMHDBO-UHFFFAOYSA-N 425.436 2.668 0 50 IFAA CN(Cc1ccc(Cl)cc1)S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325733960 HYBNLWAXLIGKKB-UHFFFAOYSA-N 425.913 2.614 0 50 IFAA O=S(=O)(c1ccc2c(c1)Cc1cc(S(=O)(=O)N3CCCC3)ccc1-2)N1CCCC1 623926 BXVHPUMUFVKZMZ-UHFFFAOYSA-N 432.567 2.827 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cc1 1119187 JWHRFMQFCQQNSZ-LJQANCHMSA-N 445.560 2.884 0 50 IFAA Cc1ccc2c(c1)c1c(n2C[C@@H](O)CN2C(=O)c3ccccc3S2(=O)=O)C(=O)CCC1 1132644 JFEFOYVYYQLBRW-OAHLLOKOSA-N 438.505 2.674 0 50 IFAA O=C(N[C@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 1170462 WAMYHPVYOFPIMH-GFCCVEGCSA-N 431.172 2.973 0 50 IFAA CCc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)s1 12053176 BYWOKNIJIFYEMX-ZDUSSCGKSA-N 434.630 2.751 0 50 IFAA Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCN4CCOCC4)c3N2)cc1 13801518 VASYITXAUZGJNA-ZWKOTPCHSA-N 437.466 2.914 0 50 IFAA CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cnc3ccccc3c1)C2 14536027 LJVKCYUIUKRTBG-HXUWFJFHSA-N 433.556 2.961 0 50 IFAA CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cc(-c3ccccc3)on1)C2 14536664 XMQKZPAXNPDPSD-GOSISDBHSA-N 435.528 2.678 0 50 IFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)CC1 15075039 MILHGCYBTUIFDQ-DEOSSOPVSA-N 448.611 2.867 0 50 IFAA CN1CCC(CN(CCc2ccccc2)C(=O)[C@@H](c2cccnc2)N2CCOCC2)CC1 20204559 UAWZSYPENMQHLR-RUZDIDTESA-N 436.600 2.868 0 50 IFAA Cn1c(CN2CCN(c3ccc(NS(C)(=O)=O)cc3Cl)CC2)nc2ccccc21 20428252 YUPSZUQRCUTSNA-UHFFFAOYSA-N 433.965 2.920 0 50 IFAA Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)cc1 49693984 LUBBNWBFDKORKQ-XSSIKURBSA-N 446.573 2.541 0 50 IFAA COc1cccc(N2CCN(Cc3nc(N)nc(Nc4cc(C)ccc4OC)n3)CC2)c1 54274339 DNFFDFRLHMXTOG-UHFFFAOYSA-N 435.532 2.845 0 50 IFAA O=C1N[C@H](c2ccc(Br)cc2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 170620739 BODOZRWTHTUGOG-ZENOOKHLSA-N 444.207 2.948 0 50 IFAA COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)n2cc(Br)ccc2nc1=O 206055842 BMVFZMPKILDHTN-GFCCVEGCSA-N 449.257 2.572 0 50 IFAA O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 239310296 IHTKLVMKCOTJQU-OUTQORHZSA-N 426.516 2.967 0 50 IFAA Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccccc3OCCN3CCOCC3)C2)n1 263587879 MHCZQXFSLYEGAE-HXUWFJFHSA-N 439.560 2.660 0 50 IFAA COc1ccc(NC(=O)[C@@H](C)NC(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)cc1 2325853894 GJAOSXMLAAYEJY-GFCCVEGCSA-N 427.457 2.959 0 50 IFAA C[C@@H]1CCCC[C@H]1CC(=O)N1C[C@@H]2C[C@H](C1)CS(=O)(=NC(=O)[C@@]1(F)CCOC1)C2 2332238325 LDNSQROSRBCTOV-VSYFAMTKSA-N 428.570 2.804 0 50 IFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N(C)[C@@H](C)c3ccncn3)cc2)CC1 12438512 IAUZZPGURFRLFZ-KRWDZBQOSA-N 426.517 2.716 0 50 IFAA CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 12744984 IPUVOODPGZNGSJ-JOCHJYFZSA-N 433.574 2.922 0 50 IFAA COC(=O)c1ccc(CN2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)cc1 14534415 WPJGFBREFQBCOO-UHFFFAOYSA-N 435.524 2.945 0 50 IFAA O=C1N[C@@H](CC2CCCCC2)C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@H]12 14733452 CZNQNMAKWKXQLP-ZWKOTPCHSA-N 437.462 2.827 0 50 IFAA COCCN(C(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1COC)C(C)C 14974556 ZHQDPENRWXCEDL-UHFFFAOYSA-N 439.516 2.981 0 50 IFAA CCc1ccc(CN(C)Cc2ccc(OC[C@H](O)CN3CCOCC3)c(OC)c2)cc1 15070427 TXUGPGUAAJAHNS-HSZRJFAPSA-N 428.573 2.962 0 50 IFAA CC1=C(C)C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)[C@@H](C(=O)O)C1 17099029 IYVNSIOLSDVAQT-UXHICEINSA-N 434.558 2.584 0 50 IFAA O=C(NCC1(c2ccccc2)CCCCC1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 20272541 SESMMODEEUXTID-JOCHJYFZSA-N 441.616 2.966 0 50 IFAA Cn1cccc1CNC(=O)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225425667 JAJVUYFGAKLJHW-MSOLQXFVSA-N 445.523 2.768 0 50 IFAA biogenic CC(C)c1ccc(N2C(=O)[C@@H](CC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)N=C2O)cc1 252536245 HZCZWECNVWZZIB-IMFGXOCKSA-N 448.523 2.637 0 50 IFAA COc1ccc([C@H](C(=O)O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1OC 1529145355 HVRSLUZYZARJTP-CYBMUJFWSA-N 432.424 2.522 0 50 IFAA CCc1ccccc1NC(=O)CCC(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 1529168660 KDOUXJUVIMXTJG-QGZVFWFLSA-N 432.546 2.779 0 50 IFAA C[C@@H](NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccc2c(c1)CCC2 1875258759 ATLCTUDDXKFKFS-GOSISDBHSA-N 435.568 2.626 0 50 IFAA CCOC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 2325850181 OJHPLVAGLCTWNN-UONOGXRCSA-N 434.543 2.757 0 50 IFAA C[C@H]1C(=O)N(Cc2ccccc2Cl)Cc2nnc(-c3csc(N4CCOCC4)n3)n21 2356160201 IIGOVKZEYILYSJ-ZDUSSCGKSA-N 444.948 2.995 0 50 IFAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCc2n[nH]c3c2CCC3)C[C@@H](C)O1 11818309 RQEQLLSLIUVLEN-OKILXGFUSA-N 442.951 2.739 0 50 IFAA COC(=O)C1CCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C)C2=O)CC1 12100217 IYJLIDQVHOLRKW-AREMUKBSSA-N 448.519 2.782 0 50 IFAA O=C1NCCN(Cc2ccc3ccccc3c2)[C@@H]1CC(=O)N(CCO)Cc1ccccc1 14948060 RKPNXYIUTWERHR-XMMPIXPASA-N 431.536 2.551 0 50 IFAA COc1cc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)cc(OC)c1OC 14981225 HPPSKAPZUCMKOR-GOSISDBHSA-N 443.548 2.641 0 50 IFAA O=C1CC[C@@H](C(=O)N2CCC(CCc3ccccc3)CC2)CN1CCCN1CCOCC1 19839266 BZTNTINBHLKDAR-XMMPIXPASA-N 441.616 2.819 0 50 IFAA O=S(=O)(NCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2)c1ccccc1 20780795 QQRQUZABAKTWQL-UHFFFAOYSA-N 449.939 2.607 0 50 IFAA COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 741372789 JTRXTJUKNGQCNT-QZTJIDSGSA-N 440.496 2.883 0 50 IFAA COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)NCc2ccc(C(N)=O)nc2)c1 767085294 FVFJCODGTYMYJN-QFIPXVFZSA-N 434.496 2.635 0 50 IFAA COC(=O)[C@H]1C[C@H]2CN(C(=O)c3cccc(-c4cn[nH]c4)c3)CC(=O)N2[C@H]1c1ccccc1 1857737067 VROIUDCOWOWKDD-FUDKSRODSA-N 444.491 2.664 0 50 IFAA O=C(c1nc[nH]c2nccc1-2)N1[C@H]2CC[C@H]1CC(n1cc(Cc3ccc(CO)cc3)nn1)C2 1875330296 WMVSBLONPTXSNM-OALUTQOASA-N 443.511 2.592 0 50 IFAA C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC(C)(NC(=O)c2cnn3ccncc23)C1 2325827469 HERRXBWFCCGVIR-LBPRGKRZSA-N 448.310 2.834 0 50 IFAA CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NN2CCc3ccc(F)cc32)cc1 2325862193 MQUUIOUTSZQUGE-FQEVSTJZSA-N 445.516 2.665 0 50 IFAA CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1 1113678 LAXROTVMRHPCLF-UHFFFAOYSA-N 430.267 2.794 0 50 IFAA COC(=O)c1cc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)ccc1Cl 2850864 MOFUXZMLLKFFBM-UHFFFAOYSA-N 426.878 2.540 0 50 IFAA COc1ccc(CCNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 2979498 DLODGUNHWLCJGH-UHFFFAOYSA-N 441.347 2.583 0 50 IFAA Cc1ccccc1[C@@]1(CC(=O)N2CCCC[C@@H]2CO)CC(=O)N(Cc2ccccc2)C1=O 11909148 QYPRADZMHSPECT-QFQXNSOFSA-N 434.536 2.955 0 50 IFAA COc1cc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(OC)c1 13841224 PLVPDLJXSQVHLE-UHFFFAOYSA-N 439.534 2.546 0 50 IFAA Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCCN2CCOCC2)c1=O 19862590 ODTCUESFAYDZRV-UHFFFAOYSA-N 432.524 2.566 0 50 IFAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21 253414414 XKTQDBBWMFLOPX-FXAWDEMLSA-N 432.590 2.736 0 50 IFAA biogenic CC(C)(CS(=O)(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C(F)F 1857527541 IMAMVODKFYRKQM-LBPRGKRZSA-N 430.395 2.901 0 50 IFAA O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(Cc1cnsc1)C[C@@H]2O)c1cscn1 2100482645 OJICILZXNXOBRE-WQZMEWCLSA-N 426.567 2.606 0 50 IFAA Cc1nn(C)c(C)c1CCC(=O)N1CCCCN[C@H](c2ccccc2)CC(=O)NCCC1 2356162913 SVNKXPBGQZQZSI-QHCPKHFHSA-N 439.604 2.819 0 50 IFAA CCOc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)cc1 16447837 OHGDAEULSXWUGY-LJQANCHMSA-N 436.505 2.715 0 50 IFAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCCN4CCOCC4)c3n2)cc1 19643249 IIJPKENTKDNLHX-UHFFFAOYSA-N 445.470 2.795 0 50 IFAA CCN(CC)CCN(CC)[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 23353624 BDRAWSPWUHQZGT-FQEVSTJZSA-N 433.641 2.533 0 50 IFAA Cc1cc(Cl)c2ccccc2c1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 170596194 QXJKRJZLXZRJHL-CYBMUJFWSA-N 433.917 2.906 0 50 IFAA Cc1nonc1CN1C(=O)c2cccc(N3CCN(Cc4ccccc4F)CC3)c2C1=O 200498998 CHUXSGAONVLLNK-UHFFFAOYSA-N 435.459 2.636 0 50 IFAA C[C@H](CCc1ccccc1)NC(=O)Cn1ccn2nc(-c3cccc(F)c3)c(CO)c2c1=O 263619396 YNPSNKDCOKDQBT-QGZVFWFLSA-N 448.498 2.932 0 50 IFAA CCC[C@@H](C)C(=O)NCCNC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C 482311240 IARPYAYOTZCAGI-OAHLLOKOSA-N 445.564 2.559 0 50 IFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)ccc1F 1704313189 HUMDBKKXAQSUOZ-OAQYLSRUSA-N 432.452 2.660 0 50 IFAA CC(C)(C)c1nc(N2CCC[C@@H]3CN(C(=O)c4cccc(F)c4F)CC[C@H]32)[nH]c(=N)n1 1875335026 PIBRPGPIKGYXSO-CZUORRHYSA-N 430.503 2.991 0 50 IFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(OC)c3)CC2)cc1 953228 LGQMDTVCYGIPGF-UHFFFAOYSA-N 447.513 2.913 0 50 IFAA C[C@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(-c3nc4c5cnn(C)c5ncn4n3)cc2N1 2802914 IWCFUHRISADRMF-XVKPBYJWSA-N 427.341 2.817 0 50 IFAA O=C(COc1ccccc1)Nc1ccc(N2CCC(NC[C@@H]3COCCO3)CC2)cc1 11790783 HHLBYXRBGPNJAB-HSZRJFAPSA-N 425.529 2.678 0 50 IFAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)[C@H](C)NC(C)=O)O3)c1 11813615 KAFNQUVLQFHWAI-SGTLLEGYSA-N 430.888 2.738 0 50 IFAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cc(COc2cccc3cccnc23)on1 12592421 LEELVQGPJMTBTC-MRXNPFEDSA-N 425.441 2.596 0 50 IFAA O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 13108256 BMHMMVJMXVBOOI-UHFFFAOYSA-N 441.553 2.673 0 50 IFAA COc1ccc(CCN2C(=O)N(CCN(C)C)C(=O)C23CCN(CC(C)C)CC3)cc1 14535274 VVFDEWMHNIGWIX-UHFFFAOYSA-N 430.593 2.554 0 50 IFAA O=c1c2c3c(sc2ncn1CCN1CCOCC1)C[C@H](NCc1ccc(F)cc1)CC3 14990357 LCDCLFCGUMQTCK-GOSISDBHSA-N 442.560 2.576 0 50 IFAA CSc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1 14998713 WALXNCFWODQORO-NQIIRXRSSA-N 443.617 2.908 0 50 IFAA CCOC(=O)c1cnn(-c2ccc3c(c2)OCCO3)c1CNCc1cn2ccsc2n1 15000723 NOXYSFANPHBLFV-UHFFFAOYSA-N 439.497 2.819 0 50 IFAA CCC(=O)[C@H]1CCCN(Cc2cnc(S(=O)(=O)CCOC)n2Cc2ccccc2)C1 15073574 DKOSAOSGOWRZLU-IBGZPJMESA-N 433.574 2.543 0 50 IFAA COc1ccccc1CC(=O)Nc1cccc(C(=O)NN2C(=O)c3ccccc3C2=O)c1 1010573 HJXSCZUODYACBF-UHFFFAOYSA-N 429.432 2.817 0 50 IFAA COCCN1C(=O)C[C@@](CC(=O)N2CCC[C@H]2c2nccs2)(c2ccccc2F)C1=O 11787865 KPCFJKVPRZVCEU-JTSKRJEESA-N 445.516 2.679 0 50 IFAA CCc1nccn1CCC(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 11817715 BCQWTNUIEHDIRT-HXUWFJFHSA-N 425.577 2.951 0 50 IFAA CCCCOc1ccc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1OC 13786189 NTUBEWDNTCKJHD-RGEXLXHISA-N 435.505 2.913 0 50 IFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 15671206 ABODGXRJYFSGFX-UHFFFAOYSA-N 435.450 2.603 0 50 IFAA COC(=O)COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(OC)cc2)cc1 16361627 KMQYVWZZVSGRAK-FQEVSTJZSA-N 441.509 2.679 0 50 IFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)Cc2cccc(Cl)c2)cc1 20138125 KWDWMFVQLIISKQ-UHFFFAOYSA-N 435.977 2.613 0 50 IFAA COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C 28049103 YUNQZQREIHWDQT-UHFFFAOYSA-N 440.319 2.757 0 50 IFAA in-vitro O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCc1ccccc1Cl 44903688 SJUJEWRJNCLEAV-UHFFFAOYSA-N 437.931 2.540 0 50 IFAA COc1cc(CN2CCN(Cc3ccc4nsnc4c3)C[C@H]2CCO)cc(OC)c1 104397800 UPKTZRVDXUHNGW-GOSISDBHSA-N 428.558 2.777 0 50 IFAA CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)[C@@H]3CCCN(C(=O)c4ccncc4)C3)ccc21 225664660 VQUWWBWABJUYEL-IIBYNOLFSA-N 449.507 2.657 0 50 IFAA CCOc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1 257372017 GIKDRCKFJJMLFF-UGKGYDQZSA-N 441.576 2.585 0 50 IFAA Nc1c(O)nc(O)nc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 469392085 YQFYLHRUNNPSKK-IBGZPJMESA-N 439.903 2.671 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)cc1C(N)=O 490623962 GYEJLFSAGUYGHR-UHFFFAOYSA-N 437.949 2.737 0 50 IFAA NC(=O)COc1cccc(CNC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)c1 806876497 YUFOKYYBUMIYOZ-QHCPKHFHSA-N 433.508 2.996 0 50 IFAA COc1ccc(C)cc1-n1ccc(C(=O)NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)n1 811210985 BDJJXSBUGBZCFL-UHFFFAOYSA-N 439.493 2.827 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(OC)cc1 628109 BLDNSYRSCINTMS-LYPXWFNGSA-N 440.546 2.868 0 50 IFAA CCOc1cc(C(=S)N2CCOCC2)ccc1OS(=O)(=O)c1ccc(OC)cc1 2960516 DMHBDVYYGXBBEL-UHFFFAOYSA-N 437.539 2.869 0 50 IFAA COC(=O)c1ccc(CN2CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC2)cc1 12577046 OGJJYKIEJTUVSQ-UHFFFAOYSA-N 438.524 2.989 0 50 IFAA CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](NCCc1ccc(F)cc1)C2 14533465 MXCCWXFXFBUFHK-HXUWFJFHSA-N 427.568 2.509 0 50 IFAA COc1ccc(CNCCSc2ncn[nH]2)cc1OC[C@H](O)CN1CCCCCCC1 20138207 VOWQUOKABSGWTD-LJQANCHMSA-N 449.621 2.701 0 50 IFAA COc1cccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)c1 55060722 YNPHSZDZNBZAJY-HXUWFJFHSA-N 433.911 2.837 0 50 IFAA CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(N2CCOCC2)nn1 65362581 FJEFZWLWRFZELA-KRWDZBQOSA-N 434.500 2.680 0 50 IFAA O=C(NCc1ccncc1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 169758735 GSYRBEHKTCFQDT-JOCHJYFZSA-N 445.523 2.718 0 50 IFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1ccc(N2CCOCC2)c2nonc12 230037303 AQSHUXMEBUYNTN-COCCGSRQSA-N 426.473 2.691 0 50 IFAA CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)Cc2nc3nc4c(c(=O)n3[nH]2)CCCC4)cc1 1506421883 NUJZRTUINQPRQU-NRFANRHFSA-N 448.571 2.654 0 50 IFAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[S@](=O)(=NC(=O)C2(C)CC(F)(F)C2)CC1 2332239038 UPCWGKLGHWXTFK-BRRNQIAESA-N 444.548 2.803 0 50 IFAA CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cn3ccccc3n1)CC2 14741258 ROLYNKFKMKQULS-UHFFFAOYSA-N 435.406 2.858 0 50 IFAA CCNC(=O)[C@@H]1C[C@@H](NCc2ccc(C(=O)OC)cc2)CN1Cc1cccc(Cl)c1 19835928 OZSFXLUGIKDISG-RTWAWAEBSA-N 429.948 2.995 0 50 IFAA CCOC(=O)N1CCN(Cc2ccc3c(NC(=O)C4CC4)c(C(=O)OC)sc3n2)CC1 19883974 CWIVQPOUCQRTDA-UHFFFAOYSA-N 446.529 2.706 0 50 IFAA Cc1ccccc1-c1cccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)c1 23129017 LRFGBPJPFZXKMJ-JOCHJYFZSA-N 445.567 2.965 0 50 IFAA COc1ccccc1CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 55109161 HAKWKRXUJOFICD-FQEVSTJZSA-N 433.574 2.886 0 50 IFAA CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1 170623413 HQRJZZXNJAIODW-MRXNPFEDSA-N 439.917 2.840 0 50 IFAA Cc1ccc(N(C(=O)COC(=O)c2ccc3n[nH]cc3c2)[C@@H]2C=CS(=O)(=O)C2)cc1C 769944331 DDGTYKZDCZQMKC-LJQANCHMSA-N 439.493 2.680 0 50 IFAA Cc1noc([C@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)n1 1875334103 YHBTWMRGLHDHEW-UONOGXRCSA-N 444.410 2.812 0 50 IFAA COc1cc(C(=O)NCCN2CCOC2=O)ccc1OC1CCN(C2CCCC2)CC1 12001396 DRJKGKLUCQLDEJ-UHFFFAOYSA-N 431.533 2.663 0 50 IFAA CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2 12039026 CRXCOSTXDODVHR-JOCHJYFZSA-N 448.527 2.587 0 50 IFAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)Cn2cncn2)O3)c1 12149993 PHKWTVCQQVXIJV-KRWDZBQOSA-N 426.860 2.505 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1ccc2c(c1)OCO2 12744805 MVNASUKPYIHISD-NRFANRHFSA-N 431.492 2.575 0 50 IFAA CCn1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccncc3)C2)cn1 14733107 NAVFWOXRQOXWKN-OAQYLSRUSA-N 425.533 2.501 0 50 IFAA COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CCN(Cc1ccc(C)o1)CC2 19743657 QJLYYXQITQBARV-GOSISDBHSA-N 430.501 2.543 0 50 IFAA Cc1cccc(CN2CCC(N3CCC(C(=O)N(C)C[C@H]4CCCN(C)C4)CC3)CC2)n1 97436858 NZOPIXMXYYFDNV-QFIPXVFZSA-N 441.664 2.867 0 50 IFAA Cc1cccc(Cc2noc(Cn3ccn4nc(-c5ccccc5)c(CO)c4c3=O)n2)c1 263619240 XPTWAUQTHXHTAE-UHFFFAOYSA-N 427.464 2.986 0 50 IFAA CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 805257061 OTTRGAHXQPCOST-SKPFHBQLSA-N 445.519 2.986 0 50 IFAA FC(F)(F)[C@@]1(c2nc(-c3ccccn3)no2)CCN(Cc2nc3c(s2)CNCC3)C1 952893405 LTWXPOHYQVENST-SFHVURJKSA-N 436.463 2.940 0 50 IFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2nc3ncccc3o2)CC1 1857684678 XYGTUYAPOMDRTC-IBGZPJMESA-N 440.475 2.633 0 50 IFAA O=C(O)c1ccccc1CCC(=O)N1CCC(Cn2cc(-c3cncs3)nn2)CC1 1875327120 RMLIOTYFCDEGIH-UHFFFAOYSA-N 425.514 2.971 0 50 IFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Br)c1O 706412 KPZLXCIQQVWELB-XHDPSFHLSA-N 441.278 2.513 0 50 IFAA biogenic COC(=O)c1ccccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 857910 DSAFOHZDMKEEKJ-UHFFFAOYSA-N 441.303 2.640 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl 916630 DLLZJPGNUDCUQY-UHFFFAOYSA-N 425.913 2.594 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCc3sccc3C2)c(C)c1C 12299131 FPVQWOLCNSRRMX-LJQANCHMSA-N 427.570 2.649 0 50 IFAA COCCn1c(CN2CCC[C@H](COC)C2)cnc1S(=O)(=O)CC1CCCCC1 12445402 KEHRYWHJXRBLBQ-IBGZPJMESA-N 427.611 2.742 0 50 IFAA CN(C)S(=O)(=O)n1cc(/C=C/c2nc(N)nc(-c3ccccc3O)n2)c2ccccc21 16425515 RNQZRERZPWRMJE-VAWYXSNFSA-N 436.497 2.606 0 50 IFAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@@H](C)CSC)CC2 20916956 ZTIAEWOAHYJJNT-KRWDZBQOSA-N 435.590 2.692 0 50 IFAA O=C(c1cccc(-n2cccn2)n1)N1CCC(O)(c2scnc2Br)CC1 225489317 FQQJGWUTERJDHS-UHFFFAOYSA-N 434.319 2.610 0 50 IFAA O=C(CCCS(=O)(=O)N(Cc1cccs1)Cc1cccs1)N1CCOCC1 241383579 MWJPCYVMOSNUFK-UHFFFAOYSA-N 428.601 2.781 0 50 IFAA O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCCc1cccs1)C2)c1cccnc1 299787698 ZSZHQGVEYZOONT-CYBMUJFWSA-N 426.523 2.956 0 50 IFAA Cc1nn(C)c(Cl)c1S(=O)(=O)N(C[C@H]1CCCO1)c1ccc(Br)cn1 328593929 AVQXHDRSRQLGRX-GFCCVEGCSA-N 449.758 2.914 0 50 IFAA COCc1nc([C@H](Cc2ccccc2)NC(=O)CC(C)(C)c2oc(C)cc(=O)c2O)n[nH]1 1857526881 HTDBYLFRQOANSU-INIZCTEOSA-N 440.500 2.686 0 50 IFAA COc1ccc(-c2oc3c(c2CC(=O)NCc2nc(=N)[nH][nH]2)c(=O)oc2ccccc23)cc1 2049513426 SMNLXBNFFKMULD-UHFFFAOYSA-N 445.435 2.604 0 50 IFAA CCOC[C@@H](O)CNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 12702529 LHXKKBNVOKKNRO-QFIPXVFZSA-N 426.557 2.900 0 50 IFAA COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 14999051 SWGCZUOPDPMMMX-HDICACEKSA-N 447.576 2.587 0 50 IFAA CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCCN2CCOCC2)c1=O 19862596 LBNDABFDPFDXRT-UHFFFAOYSA-N 432.524 2.659 0 50 IFAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@@H]1CCN1CCOCC1 20453684 FUUMNESYRUQOKS-GOSISDBHSA-N 435.931 2.836 0 50 IFAA Cc1cc(C)n(-c2ccc(CNC(=O)CC[C@H](O)c3ccc4c(c3)CCC(=O)N4)cn2)n1 170597804 UQBOSJISFKTIEC-NRFANRHFSA-N 433.512 2.899 0 50 IFAA COC(=O)c1cccc(OC)c1N(C)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 170603861 ZDMHHSMVKAGTJH-UHFFFAOYSA-N 446.525 2.933 0 50 IFAA COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)O)cc2)o1)c1c(O)c(C(=O)OC)c[nH]c1=O 218081712 KRWAEHITSVAJFN-CYBMUJFWSA-N 441.392 2.520 0 50 IFAA biogenic CC(C)N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)N(C)c4ccccc43)[C@H]2C1=O 245235480 LEKAGIYBNROEHO-XSWHYFMGSA-N 442.519 2.564 0 50 IFAA O=C1[C@@H]2CC[C@@]3(Br)C(=O)[C@@]4(Br)CC[C@]1(Br)[C@@H]4[C@H]23 257359356 ZUTQDYLILJFSLV-MJWYDCFHSA-N 426.930 2.989 0 50 IFAA O=C(NC1CCCC1)NC1CCN(Cc2nnn3c2CO[C@@H](c2cccc(F)c2)C3)CC1 263619164 XGZCPLLHFPWKRB-JOCHJYFZSA-N 442.539 2.895 0 50 IFAA O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccs2)C3=O)C1)N1CCOCC1 299801460 YLUONGWTBSSFQJ-MRXNPFEDSA-N 439.537 2.620 0 50 IFAA O=C(Cc1cccc(I)c1)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 434055390 XEZSPUBPERYVME-BXUZGUMPSA-N 427.204 2.996 0 50 IFAA CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)[C@H](O)Cc3ccccc3Cl)c2)n1 447680524 HOTFTFNPHXBMOJ-QGZVFWFLSA-N 428.876 2.522 0 50 IFAA Cc1cc(Br)c2c(c1)CN(C(=O)c1sc(S(N)(=O)=O)cc1C)CC2 490050534 PXAWUOHLWSQDMG-UHFFFAOYSA-N 429.361 2.973 0 50 IFAA COc1ccc([C@H](CC(=O)NCCc2ccncc2)c2c(O)n3ccccc3nc2=O)cc1 1776111916 XKGYFCRBTBGPDY-FQEVSTJZSA-N 444.491 2.685 0 50 IFAA O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 1875253820 OERTUDQIZLSTLG-UHFFFAOYSA-N 438.509 2.706 0 50 IFAA O=C1CCc2cc([C@H](O)CCC(=O)N3CCC[C@H](Cc4nnc5ccccn45)C3)ccc2N1 1875262180 JSIOAIGZBNAFGY-DYESRHJHSA-N 447.539 2.909 0 50 IFAA Cc1c(C(=O)N2CC(OCc3cn(CCCCC(=O)O)nn3)C2)cccc1-c1ccccn1 1875357095 ZRZORPFCFAJHIN-UHFFFAOYSA-N 449.511 2.945 0 50 IFAA CC(C)(C)c1nocc1CNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 2325825838 DPXVNACQRJUNAT-UHFFFAOYSA-N 429.296 2.795 0 50 IFAA COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccc(NC(C)=O)c2)n1C 1019427 YZLXCOKVVZMXKM-UHFFFAOYSA-N 439.497 2.958 0 50 IFAA O=C(O[C@H](C(=O)NCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 1782754 OCAWQFIVEVCIOW-LEWJYISDSA-N 447.443 2.839 0 50 IFAA CCn1ccnc1CNC(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 12299898 OWUXSMQKGXIGRY-QHCPKHFHSA-N 445.567 2.542 0 50 IFAA O=C(NCCN1CCOCC1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 13130337 QUZHSYCBZSWPFH-HIFRSBDPSA-N 429.468 2.667 0 50 IFAA COc1cc(C(=O)Nc2nnc(CC(=O)NCc3ccccc3)s2)cc(OC)c1OC 13550036 ODWZDXXEFFBHDD-UHFFFAOYSA-N 442.497 2.675 0 50 IFAA COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(Cc3cn(C)nc3C)CC2=O)cc1 14752394 YCWPFUHKXNGODK-DEOSSOPVSA-N 449.555 2.562 0 50 IFAA CCOC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 16393540 SDVLAQOOPRAMKP-UHFFFAOYSA-N 448.516 2.823 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCc1cscn1 20859638 VVKQYDDNGXHHAF-JOCHJYFZSA-N 434.565 2.860 0 50 IFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)COc4cccc(C)c4)ccn3n2)c1 169781384 LHQCANHBWJDHQE-UHFFFAOYSA-N 432.480 2.675 0 50 IFAA CCC(=O)N1CCC[C@@H](C(=O)OCCCN2CCCN(C(=O)OC(C)(C)C)CC2)C1 170617217 CHQXKIUMEGESFI-GOSISDBHSA-N 425.570 2.511 0 50 IFAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)n2)n1 448199663 MVGOPTWTLRBXTC-ZDUSSCGKSA-N 429.830 2.821 0 50 IFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2c(F)cc(F)cc2F)cc1OC 1529178583 OHNAJGXOFQYVHN-TZIWHRDSSA-N 425.403 2.625 0 50 IFAA O=C(c1cccc(Cn2cccn2)c1)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857740040 FJIVDIZKVIJELL-FBLLAGFSSA-N 428.492 2.846 0 50 IFAA Cc1[nH]nc(Cl)c1C(=O)NC[C@H]1CN(C(=O)c2cncc(O)c2)Cc2ccccc21 1875331418 ZIYNFFMFNWHHOI-HNNXBMFYSA-N 425.876 2.642 0 50 IFAA O=C(CCc1cncc2ccccc12)OCC(=O)N1CCN(CCOc2ccccc2)CC1 2325737448 NVOBJXSRRJATAU-UHFFFAOYSA-N 447.535 2.934 0 50 IFAA C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C(=O)Nc1cnn2cccnc12 2325818508 GQOOPEYYTDVOBQ-GXTWGEPZSA-N 428.290 2.835 0 50 IFAA CCc1nnc(N2C[C@H](C(=O)N3CCC4(CC3)OCCc3ccsc34)CC2=O)s1 2356137768 YRQGZOODDWJNJD-CQSZACIVSA-N 432.571 2.606 0 50 IFAA O=C(c1cn2c(n1)CCNCC2)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356161219 LBULNRHKTZMYST-VWLOTQADSA-N 428.540 2.606 0 50 IFAA CC(C)(C)C(=O)N[C@@H](n1cnc2c(N3CCOCC3)ncnc21)C(Cl)(Cl)Cl 799220 LJAKCUTXRQDGOG-ZDUSSCGKSA-N 435.743 2.694 0 50 IFAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(I)cc1 1072731 CUVLCYRNUQMLMS-JTQLQIEISA-N 448.257 2.736 0 50 IFAA COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1 3016863 WDQJCGYSLCXOMH-UHFFFAOYSA-N 432.498 2.665 0 50 IFAA NC(=O)C1CCN(C(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 12313842 XVLQOWFCFXLDIY-LJQANCHMSA-N 433.556 2.573 0 50 IFAA CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 12433571 PYJQRLPVRSUTRO-UHFFFAOYSA-N 429.440 2.754 0 50 IFAA CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1S[C@@H](C)C(=O)NC(C)(C)C 13956551 NHVARSREJJQXHV-AWEZNQCLSA-N 433.578 2.561 0 50 IFAA COCCn1c(CN(C)[C@@H](C)c2nc(C)sc2C)cnc1S(=O)(=O)CC1CC1 15064922 RNXUCMCORMMTTG-ZDUSSCGKSA-N 426.608 2.980 0 50 IFAA COCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)N(C)CCCc1nc2ccccc2[nH]1 328606966 UHMXXSBRQIADMN-JTSKRJEESA-N 425.533 2.965 0 50 IFAA C[C@]1(c2cccc(NC(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)c2)NC(=O)NC1=O 431633382 CNBGFTAYWYIVHP-XMMPIXPASA-N 428.448 2.990 0 50 IFAA O=C(c1coc(O)n1)N1C[C@H]2CC[C@H]1[C@H](N=c1[nH]c(-c3cccnc3)nc3ccccc13)C2 1875389200 GHQUJMJGAINJGO-QMIHWGKISA-N 442.479 2.913 0 50 IFAA CN(c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1)S(C)(=O)=O 665800 HOYNDNFPKOSHQC-UHFFFAOYSA-N 425.351 2.707 0 50 IFAA COc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1OC 881217 ZHGOWSZQRAQOEJ-UHFFFAOYSA-N 446.569 2.951 0 50 IFAA Nc1nc(COn2c(-c3ccccc3)nc3ccccc3c2=O)nc(-c2ccccc2O)n1 2848135 SIANPMOPBOBVED-UHFFFAOYSA-N 438.447 2.832 0 50 IFAA O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1 2857734 JPOSPJAYHDSANL-UHFFFAOYSA-N 443.510 2.858 0 50 IFAA O=C1N[C@](c2ccccn2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1C[C@H]1CCCO1 11995397 HNDAROMBKCTVHZ-BWKNWUBXSA-N 434.540 2.920 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1cccs1 13603276 JSBZIBSZMZQZKI-XYSGSMRZSA-N 440.546 2.868 0 50 IFAA O=CN1CCCN(C(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)CC1 14965053 VRRJYZVXBBTFFM-UHFFFAOYSA-N 433.556 2.539 0 50 IFAA O=C(c1cn(CCCNS(=O)(=O)c2ccc(-c3ccccc3)cc2)nn1)N1CCCC1 14993437 PMJVXSZDLQQTEX-UHFFFAOYSA-N 439.541 2.550 0 50 IFAA Cc1ncc2c(c1CNC(=O)CSc1ccccc1)CCN(C(=O)c1cnsn1)C2 15069289 GCJXTKOROICYQQ-UHFFFAOYSA-N 439.566 2.849 0 50 IFAA CCCn1c(SCC(=O)Nc2ccccc2)nnc1[C@H]1CCCN(S(C)(=O)=O)C1 17101627 MVOUBALRVCJTLJ-HNNXBMFYSA-N 437.591 2.558 0 50 IFAA CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N(C)c1ccc(S(C)(=O)=O)cc1 170614866 SPDPEHAPCFEVIT-UHFFFAOYSA-N 425.501 2.988 0 50 IFAA COCCn1ccc2c(NC(=O)C[C@H]3NC(=O)N(CCc4ccccc4)C3=O)cccc21 206242722 CRCSPIXTTJKRFT-HXUWFJFHSA-N 434.496 2.779 0 50 IFAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3nc(C(C)(C)C)cs3)C2=O)cc1 223240506 PLBRWAZAJCKKQV-OAHLLOKOSA-N 430.530 2.941 0 50 IFAA CC(C)COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 239425761 VFKSJBKTHFNPEF-HWUPLGCXSA-N 436.508 2.880 0 50 IFAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 248375264 APUXMZSGHJUBPT-UECWXEIQSA-N 449.894 2.974 0 50 IFAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 734797995 NGBHENYLHDMKLM-OAQYLSRUSA-N 428.558 2.696 0 50 IFAA CN1CCN(CCOc2ccccc2CN2CCc3nc[nH]c3[C@@H]2c2cccnc2)CC1 952982033 XGTHCWBBDXAMPC-VWLOTQADSA-N 432.572 2.579 0 50 IFAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)n1 643561 GYNVMUVVEHCVHD-UHFFFAOYSA-N 448.302 2.996 0 50 IFAA O=C(NCc1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1)c1n[nH]c2c1CCC2 11912126 LQLCPRNGLJCKBL-MRXNPFEDSA-N 438.557 2.739 0 50 IFAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1=O 12039420 UFRGEAOFJGUVED-HXUWFJFHSA-N 444.620 2.981 0 50 IFAA Cc1ccccc1[C@]1(CC(=O)N(C)C2CCN(C)CC2)CC(=O)N(Cc2ccncc2)C1=O 12247720 AOAPGZIYAHZHRA-SANMLTNESA-N 448.567 2.530 0 50 IFAA CC(C)C(=O)NCCc1nnc2n1CCN(C(=O)c1ccc(Oc3ccccc3)o1)CC2 14951930 AMFNXAMVZLQYJE-UHFFFAOYSA-N 437.500 2.677 0 50 IFAA COc1ccccc1CCNCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2sccn12 20119771 ASAHVBKBDZSENO-IYBDPMFKSA-N 428.558 2.986 0 50 IFAA CC[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O 170595563 BSWDYLNYWCIHLZ-HXOBKFHXSA-N 427.501 2.622 0 50 IFAA Cc1c(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)oc2ccc(Br)cc12 170637734 VOVVWBOKPRJHBO-UHFFFAOYSA-N 426.292 2.997 0 50 IFAA CNC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](c3ccc4cc(OC)ccc4c3)C2)cc1 1506420909 LYRAIGAEIJNDLX-QFIPXVFZSA-N 440.521 2.970 0 50 IFAA Cc1cccc(N2CCN(CC[C@H](C)NC(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)c1 2325701905 ZLAGDLGDBXKQTC-FCHUYYIVSA-N 436.604 2.869 0 50 IFAA NC(=O)c1ccc(N2CCC(C(=O)N[C@@H](Cc3ccccc3)c3ccncc3)CC2)nc1 2325822215 JZJXIOYEOZCEQJ-QFIPXVFZSA-N 429.524 2.892 0 50 IFAA O=C1[C@@H](Sc2nnnn2[C@@H]2CCOC2)CCCN1Cc1cccc(C(F)(F)F)c1 2325843320 BKDILTDEJIDYQA-CABCVRRESA-N 427.452 2.937 0 50 IFAA COc1csc(S(=O)(=O)NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c1OC 2325866781 ZTBIJQNWIXZGAW-NSHDSACASA-N 439.511 2.648 0 50 IFAA Cc1[nH]nc2ncc(C(=O)N3CCC[C@@H]3[C@H]3CCN(C(=O)c4cc5cccnc5[nH]4)C3)cc12 2332239504 ARGTWCPUNOADSW-OXJNMPFZSA-N 443.511 2.910 0 50 IFAA CN1CCn2nc(C(=O)N3CCC[C@@]4(CCc5cnc(-c6ccccc6)nc54)C3)cc2C1=O 2356155581 IUDLNOLOZJFDMW-RUZDIDTESA-N 442.523 2.546 0 50 IFAA COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)c1OC 715177 MWWPLZWCFPJMRL-LJQANCHMSA-N 426.425 2.804 0 50 IFAA CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1ccncc1 4302063 JZQMVTHPOQUPLY-UHFFFAOYSA-N 426.521 2.940 0 50 IFAA Cc1ccsc1C(=O)N1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 14984746 OMPMRXFJGWLDQY-INIZCTEOSA-N 439.537 2.794 0 50 IFAA Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)s1 20783734 ZBDMGXIDEOIVCZ-UHFFFAOYSA-N 427.549 2.747 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCCc1cccc(F)c1 55371251 NGVQMXHFFYGMBX-LJQANCHMSA-N 437.437 2.894 0 50 IFAA O=C(CN1C(=O)N[C@H](c2ccccc2Cl)C2=C1COC2=O)NCCCc1ccccc1 169758049 OGSKVXBPAZCFFV-OAQYLSRUSA-N 439.899 2.966 0 50 IFAA CC[C@H](C)N1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 245326441 KBYNEFDHULKTTC-HKMBFBJRSA-N 434.334 2.624 0 50 IFAA CC(C)(C)OC(=O)N1CCC[C@]2(C1)NC(=O)N(CN1CCc3cc(Cl)ccc3C1)C2=O 812286862 FVYCEUUPTWBILI-JOCHJYFZSA-N 448.951 2.977 0 50 IFAA NC(=O)C[C@H]1CCCN1CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1875259607 GIYXHFQQICQTDI-JOCHJYFZSA-N 431.540 2.554 0 50 IFAA COCc1cccc(C(=O)NCC[C@@H]2CCCN(C(=O)[C@@H]3CCCc4ncnn43)CC2)c1 1875341056 DNKCTEUXBOYLTO-RXVVDRJESA-N 439.560 2.751 0 50 IFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(F)(F)F)cc(Br)c1O 844382 ISLOIQQJMXEKEC-LLVKDONJSA-N 439.184 2.897 0 50 IFAA CN(CCCN1CCOCC1)Cc1cccc(OC[C@@H](O)CN(C)C2CCCCC2)c1 11945552 CEFSCUIRMBTITG-DEOSSOPVSA-N 433.637 2.845 0 50 IFAA O=C1CN(C(=O)c2cnccn2)C[C@@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14535988 GVTZWECCOOMUDC-QFIPXVFZSA-N 448.498 2.728 0 50 IFAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCCC[C@H]4C)CC3)c2c1 20177480 SMWGUPOTXSQWEL-GOSISDBHSA-N 427.545 2.710 0 50 IFAA COc1ccc(CN(C)Cc2cccc(Cl)c2)cc1OC[C@@H](O)CN1CCN(C)CC1 20449009 LYZZHLVGLYYURV-QFIPXVFZSA-N 448.007 2.968 0 50 IFAA Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)C1 110355154 DMPBUOXTILSTEM-OAHLLOKOSA-N 446.960 2.956 0 50 IFAA CCO[C@H]1C[C@H](N(C)C(=O)CN2C(=O)COc3cc(Br)ccc32)C1(C)C 170636651 IDUXWCYYBVWUEC-HOTGVXAUSA-N 425.323 2.837 0 50 IFAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Cc3csc(N4CCCC4=O)n3)C[C@H]21 230242191 YGVIWKXTFDOOSJ-DJIMGWMZSA-N 448.589 2.964 0 50 IFAA CCOC(=O)c1csc(NC(=O)CC[C@H]2N=C(O)N(Cc3cccc(F)c3)C2=O)n1 252537628 LWUIKRNTMCKLDC-CYBMUJFWSA-N 434.449 2.503 0 50 IFAA O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCCc1cccs1)C2)c1ccncc1 299783370 YMRGOHRFCNQKMH-ZDUSSCGKSA-N 426.523 2.956 0 50 IFAA COCCCn1c(C)cc(O)c([C@H](CC(=O)OC)c2cc(OC)c(OC)cc2OC)c1=O 824396335 HRDMZUDWTJREPV-MRXNPFEDSA-N 449.500 2.620 0 50 IFAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCCN(Cc2cccs2)CC1 952970496 MMSVVIFFQSDNCP-UHFFFAOYSA-N 432.571 2.839 0 50 IFAA COc1ccc(-c2cs/c(=N\Cc3ccc(S(N)(=O)=O)cc3)n2[C@@H]2CCOC2)cc1 1875261288 KUBQCAMQPQPEJF-JEBJBBSMSA-N 445.566 2.935 0 50 IFAA O=C(OCc1ccccc1)N1CCC[C@H](CS(=O)(=O)N[C@H]2CC[C@H](C(=O)O)CC2)C1 1875337106 TVYBPKLQGKVRAB-FHWLQOOXSA-N 438.546 2.598 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)CCc2cccc(Cl)c2)CC1=O 2325819615 LDQOSOZJAWNYFY-CRAIPNDOSA-N 434.945 2.938 0 50 IFAA CC12CN(S(=O)(=O)c3ccccc3)CC(C)(CN(S(=O)(=O)c3ccccc3)C1)C2 1114109 QEMQLFTYCJDUTL-UHFFFAOYSA-N 434.583 2.798 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)N(C)Cc2cccs2)(c2ccccc2OC)C1=O 12037710 BLDGMCVZUCPPQO-QHCPKHFHSA-N 444.553 2.839 0 50 IFAA COCCn1c(CN2CCC(CCO)CC2)cnc1S(=O)(=O)C1CCCCCC1 12301174 FAPJDYYCSSRQHR-UHFFFAOYSA-N 427.611 2.620 0 50 IFAA COc1ccccc1CN1C[C@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)CCC1=O 12429240 PKTYAIKJBMMFPF-HXUWFJFHSA-N 435.524 2.877 0 50 IFAA O=C(NCCc1cnccn1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12463273 DXIPOWQZMXKCBN-IBGZPJMESA-N 428.540 2.998 0 50 IFAA O=C(c1nn(Cc2ccccn2)c2c1CN(CCCc1ccccc1)CC2)N1CCOCC1 14745381 JMGZLUOSEYMKPY-UHFFFAOYSA-N 445.567 2.790 0 50 IFAA COc1ccc(CN2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)c(OC)c1OC 15004637 DTCMBSCJHHPIPX-SFHVURJKSA-N 445.564 2.887 0 50 IFAA CCOc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3Cl)CC2)cc1 22930912 UQVZSZCXVMTHTO-UHFFFAOYSA-N 444.963 2.611 0 50 IFAA CCNC(=S)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100578639 CGLMCDUCNVKHEK-INIZCTEOSA-N 429.473 2.583 0 50 IFAA CSCC[C@H]1NC(=O)c2cc(NC(=O)c3ccc4c(c3)OCCCO4)ccc2NC1=O 206233820 AVHSETZSFQBAMU-QGZVFWFLSA-N 441.509 2.904 0 50 IFAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccc(C)cc5)CC4)c3CO2)cc1 263617437 NUMZDYDQVQNGQD-QFIPXVFZSA-N 433.512 2.829 0 50 IFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 426240506 RFISQRPHOMHRAR-NDGOVFEZSA-N 431.939 2.866 0 50 IFAA C[C@@H]1CN(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C[C@H]1N1CCOCC1 435104757 HFWHBQTXPMMBFK-AUSIDOKSSA-N 436.556 2.844 0 50 IFAA Cc1ccc(C(=O)N[C@H]2CC[C@H](CN3Cc4ccccc4C3=O)CC2)cc1-n1cnnn1 1775942472 QBCHHMWZQWEVEH-IRJFHVNHSA-N 430.512 2.915 0 50 IFAA C[C@H]1CN(S(=O)(=O)c2ccsc2C(=O)NC[C@H]2CCCCN2)Cc2ccccc21 1857528661 IVIPEXALDLVKTG-DOTOQJQBSA-N 433.599 2.928 0 50 IFAA COc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 2884602 DFCMRXVWXRVQSV-LJQANCHMSA-N 445.585 2.815 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3cc(C)ccc3C)oc1C)c(=O)n2C 12447383 GTULIWMKUUNECO-UHFFFAOYSA-N 448.479 2.819 0 50 IFAA COc1cccc(CNC(=O)CC[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 12481052 MVZGFIWRLXHKIU-QGZVFWFLSA-N 435.546 2.797 0 50 IFAA C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1 14994435 HOYIRDHSGPBIDN-UNMCSNQZSA-N 448.567 2.826 0 50 IFAA O=C(NCCCN1CCCC1)c1cn(CC2CCCCC2)cc(C(=O)NC2CC2)c1=O 15068345 HETHGASOSOIZRS-UHFFFAOYSA-N 428.577 2.537 0 50 IFAA CCN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cc(C)ccc2OC)CC1 16475524 RJTVYTIXUKQBFR-UHFFFAOYSA-N 449.548 2.502 0 50 IFAA Cc1ccccc1[C@]1(CC(=O)N2CCN(Cc3ccccc3)CC2)CC(=O)N(C2CC2)C1=O 19740294 WZWBQWYZHKFJQC-MHZLTWQESA-N 445.563 2.889 0 50 IFAA COc1ccccc1-n1cc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)cn1 20783221 BNZBUOGBGBFWCP-QHCPKHFHSA-N 441.620 2.622 0 50 IFAA CCOc1ccc(CN2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)cc1CO 39468303 SZHYSHOQILTSLR-OAQYLSRUSA-N 432.536 2.794 0 50 IFAA C[C@H](c1ccccc1)N(c1ccccc1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 170617399 ONKWQRJUDCDTJJ-OAHLLOKOSA-N 436.493 2.578 0 50 IFAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1 206237366 RRBXOCIPZLYEQC-MRXNPFEDSA-N 428.514 2.522 0 50 IFAA Cc1nsc(N2CCCN(c3c(Br)cccc3S(C)(=O)=O)CC2)n1 225821412 NQTIYPXBCSJWCI-UHFFFAOYSA-N 431.381 2.729 0 50 IFAA CN1CCc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)cc2C1=O 473285069 WNJPIDRITNAGJC-QGZVFWFLSA-N 431.496 2.682 0 50 IFAA COC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3cccc(OC)c3)c2C)[nH]1 498519081 QFVOOHZYNOQUDB-HXUWFJFHSA-N 438.484 2.826 0 50 IFAA CN(C)CCc1nnc(NC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)s1 1529105756 HTLILNUYCBRKMO-UHFFFAOYSA-N 436.603 2.886 0 50 IFAA CCc1ccc(-c2ccc(C(=O)N(CC(=O)NC)C[C@@H](C)CN3CCOCC3)o2)cc1 1857527506 BQZYOXXFXNRUBG-SFHVURJKSA-N 427.545 2.666 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cccc(OC)c1)C2 1857687506 UYHXGFZKXUGALZ-YOSAUDMPSA-N 430.545 2.592 0 50 IFAA CC[C@@H]1C[C@H](CC(=O)N=[S@]2(=O)CCCN(C(=O)c3cc(Cl)n(C)n3)CC2)CCO1 2332238433 VABSDCZWHIDLDZ-YSVMAZNTSA-N 444.985 2.509 0 50 IFAA C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1 2854566 PQCNKBGDMYMXOV-NSHDSACASA-N 430.267 2.597 0 50 IFAA COCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 2966494 AMZFYVJVFSQZKO-UHFFFAOYSA-N 426.922 2.615 0 50 IFAA O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2 6015715 TZVFNKUWVDFRFK-GWJCSSMESA-N 434.539 2.789 0 50 IFAA COc1ccc(C(=O)N2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c(OC)c1 14948839 CKWYFLHMJBGWJF-GOSISDBHSA-N 431.577 2.889 0 50 IFAA COC(=O)c1c(OC2CCCC2)cc(=O)n2c1CCN(C(=O)CCC(F)(F)F)CC2 14989559 ONNHAJMPAWNQRS-UHFFFAOYSA-N 430.423 2.684 0 50 IFAA COC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)n2C)sc2c1CCC2 16551751 ADXVSSKOSCDPRV-UHFFFAOYSA-N 429.527 2.945 0 50 IFAA Cc1c(C(=O)NCC(C)(C)N2CCOCC2)cnn1-c1nccc(-c2cccs2)n1 20540151 CHSZIOXJGUUFBH-UHFFFAOYSA-N 426.546 2.540 0 50 IFAA CCOC(=O)c1n[nH]cc1CN1CCC[C@H](N(C)CCc2ccc(OC)c(OC)c2)C1 22914034 AOPOQTVHDUCSAM-IBGZPJMESA-N 430.549 2.743 0 50 IFAA O=C(Cn1c(=O)sc2ccccc21)OCCOCCn1c(=O)sc2ccccc21 25558227 LAWZGEMHEOXUFU-UHFFFAOYSA-N 430.507 2.699 0 50 IFAA O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)Nc1ccc(Cl)cc1 44892321 ZLSWIOMUVDTHHM-UHFFFAOYSA-N 437.931 2.858 0 50 IFAA COc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1NC(C)=O 65363231 YFJDXEIUUIFQMW-UHFFFAOYSA-N 447.557 2.605 0 50 IFAA CO[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC[C@H]1C 170603471 UXJOUDXQJWVKLV-RHSMWYFYSA-N 448.507 2.990 0 50 IFAA CS(=O)(=O)c1ccc(NC(=O)CN2CCOc3ccc(Br)cc32)cc1 170604693 ZXTCKFUQQFBGTE-UHFFFAOYSA-N 425.304 2.690 0 50 IFAA Cc1ncc2c(c1CNC(=O)CN1CCCC1)CCN(C(=O)Cc1cc(F)cc(F)c1)C2 299770214 NYYVDAXUDHHFRM-UHFFFAOYSA-N 442.510 2.508 0 50 IFAA COc1ccc(-c2cc(=NC(=O)Cc3ccccc3)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158031 JDRUMYPZPNZFFH-SFHVURJKSA-N 425.510 2.521 0 50 IFAA O=C(Nc1n[nH]c(-c2cc3ccccc3o2)n1)C1CCN(c2ccc3nncn3n2)CC1 485147381 ZREJCZIFBFHCKS-UHFFFAOYSA-N 429.444 2.511 0 50 IFAA FC(F)(F)[C@]1(c2nc(-c3ccccn3)no2)CCN(Cc2nc3c(s2)CNCC3)C1 952893404 LTWXPOHYQVENST-GOSISDBHSA-N 436.463 2.940 0 50 IFAA O=C(Cn1nc(-c2ccco2)ccc1=O)N[C@H]1CC[C@H](CN2Cc3ccccc3C2=O)CC1 1775942464 PFHURAJPLHMAHT-UAPYVXQJSA-N 446.507 2.834 0 50 IFAA Cc1ccc(Cl)c(C(=O)N2CC3(CCOCC3)C[C@@H]2CNC(=O)c2cnnc(O)c2)c1 1875359276 ZWKNXBHMRJQPCO-MRXNPFEDSA-N 444.919 2.585 0 50 IFAA Cc1ccc(Cl)cc1N1C(=O)C(=CN[C@@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 2082929100 WXEOBIUYQUXUGG-OAHLLOKOSA-N 430.913 2.953 0 50 IFAA Cc1ccc([C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c2ccccc2Cl)cc1 2325749858 BZZXXBDQLJVJDN-QRWLVFNGSA-N 446.960 2.955 0 50 IFAA NC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 2994675 KINCYUNTTLASJZ-UHFFFAOYSA-N 427.457 2.759 0 50 IFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OCC)c(OCC(=O)O)cc1Cl 8444095 VEOUXDKNYXIKOM-INIZCTEOSA-N 428.894 2.558 0 50 IFAA COc1ccccc1OCC(=O)N[C@H]1CCCC[C@H]1NC(=O)COc1ccccc1OC 12371780 PMWWFSYEZJHEKA-HDICACEKSA-N 442.512 2.705 0 50 IFAA COc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)C)cc1OC 12382679 OKIJXRJWFMQZJO-UGTOYMOASA-N 436.501 2.647 0 50 IFAA CCC(=O)[C@H]1CCCN(C(=O)CC[C@@]2(Cc3ccc(OC)c(OC)c3)CCC(=O)N2)C1 14879576 QBVFVJBCVSLFFZ-MHECFPHRSA-N 430.545 2.893 0 50 IFAA O=C1NCCN(Cc2cccc(F)c2F)[C@@H]1CC(=O)N1CCc2c(Cl)cccc2C1 15068396 DUAKKUKDTRDQAA-LJQANCHMSA-N 433.886 2.894 0 50 IFAA COc1ccc(OC)c(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 15821395 HLAZBEBZKWFEKB-UHFFFAOYSA-N 428.894 2.771 0 50 IFAA COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(OC)cc1Br 19909324 DMHKCDCSPKIVON-UHFFFAOYSA-N 425.304 2.917 0 50 IFAA CN(c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1)S(C)(=O)=O 65362223 MSLWAGXNNIHXGU-UHFFFAOYSA-N 425.913 2.837 0 50 IFAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4cccc(C(C)C)c4)c2=O)CCCCC3)no1 169764037 USXMWABYDPSDGN-UHFFFAOYSA-N 437.500 2.857 0 50 IFAA O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(O)=N2 252552026 ULXZQPPGHCNZRE-LJQANCHMSA-N 431.452 2.632 0 50 IFAA C[C@@H](NC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1noc(Cc2ccccc2)n1 431650873 GDVXJZGWEJWWDP-IEBWSBKVSA-N 449.511 2.701 0 50 IFAA Cc1cc(-c2cc(S(=O)(=O)N[C@@H]3CCCN(C(=O)c4ccco4)C3)c(C)s2)n[nH]1 825262039 BHCFDPOHAOAGTF-CQSZACIVSA-N 434.543 2.931 0 50 IFAA COc1ccc(-c2nn3c([C@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)cc1Cl 951726649 HBAZUFMVVOEGBN-NSHDSACASA-N 427.939 2.654 0 50 IFAA CCN1CCC(N(CCc2ccccn2)C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC1 1506423993 YUKVPWLOAQTSLR-UHFFFAOYSA-N 429.586 2.583 0 50 IFAA O=C(Cc1ccccc1OCc1ccccc1)N1CCC2(CC1)C[C@](O)(CO)CCO2 1704303184 XARGZPMBDICQBS-DEOSSOPVSA-N 425.525 2.703 0 50 IFAA Cc1ccc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)cc1F 1857724340 WEQWGSDBUGHPSP-UHFFFAOYSA-N 426.492 2.587 0 50 IFAA O=S(=O)(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2ccccc2c1 686353 WTQJNBNOBOSUND-UHFFFAOYSA-N 432.523 2.662 0 50 IFAA CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)ccc1O 6600484 KIMHTUFULCKHRS-ZQIUZPCESA-N 430.404 2.956 0 50 IFAA Cc1ccc2c(CC(=O)NC[C@@H]3CCC4(CCN(C(=O)C5CC5)CC4)O3)cc(=O)oc2c1 11786776 IVQONFQHEPAPFX-IBGZPJMESA-N 438.524 2.710 0 50 IFAA CCN1C(=O)C[C@](CC(=O)N2CCC(OC)CC2)(c2cccc(C(F)(F)F)c2)C1=O 14887737 CGQGLEGAHMRKSR-HXUWFJFHSA-N 426.435 2.750 0 50 IFAA COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(OCc3ccccc3)cc2)CN1C(C)C 20600510 OWACGOURLLOLAO-VWNXMTODSA-N 425.573 2.969 0 50 IFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cc(C(C)C)nc(N)n3)C2)CC1 55166590 NHKPOXNTKQTDLM-SFHVURJKSA-N 438.576 2.618 0 50 IFAA O=C(CC[C@@H]1N=C(O)N(c2cc(F)c(F)c(F)c2)C1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 252478931 AXODCLCWOALDCX-PKQAIAMASA-N 439.434 2.667 0 50 IFAA O=C(CCCNC(=O)c1cnccn1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 252508157 XESQVFRIQGMTRT-FQEVSTJZSA-N 428.496 2.963 0 50 IFAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4ccccc4Br)nn23)C1 820318035 MWBLOGKAMRYQMT-SNVBAGLBSA-N 442.364 2.754 0 50 IFAA O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1O 2325732284 KRFIXBXWRRINLP-NCXUSEDFSA-N 440.462 2.661 0 50 IFAA CS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)CC1 6244838 PXFHKYPIZQFXGO-UHFFFAOYSA-N 430.917 2.668 0 50 IFAA Cc1cccn2cc(CNC3CCN(c4ccc(C(=O)N5CCC[C@H](O)C5)cc4)CC3)nc12 11784496 MHXQHRIURFMTAM-DEOSSOPVSA-N 447.583 2.998 0 50 IFAA COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OC[C@H](O)CN1CCC(O)CC1 11843280 QWEXUSHHOWMULO-OJNXCIKNSA-N 444.616 2.950 0 50 IFAA O=C(NCCCO)c1cn([C@H]2CCCN(Cc3ccc4c(c3)Cc3ccccc3-4)C2)nn1 12038620 UCGQLWIHNZNONM-NRFANRHFSA-N 431.540 2.799 0 50 IFAA CC(=O)c1ccc(OCC(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12512291 KCVFLHDARNNWFN-LLGFUMIMSA-N 428.529 2.533 0 50 IFAA COCc1ccc(CN2CCC3(CC2)C(=O)N(CCN(C)C)C(=O)N3CCC(C)C)o1 14747704 AYAPWQBTYRRIII-UHFFFAOYSA-N 434.581 2.633 0 50 IFAA COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(CCC(N)=O)CC2)c(F)c1 19836536 FKIAXRNSGPYNFI-UHFFFAOYSA-N 437.519 2.680 0 50 IFAA COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccccn3)CC2)C12CCCC2 31811106 SPKVMOWZPVJLLG-HSZRJFAPSA-N 448.567 2.929 0 50 IFAA O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 252511765 KKDMISMDIBDVSH-ZTFGCOKTSA-N 448.361 2.567 0 50 IFAA CNC(=O)c1cc2cc(NC(=O)C(=O)N[C@H](C)c3cccc(N4CCCC4)c3)ccc2[nH]1 472636167 IHGXNUSORVUXBZ-OAHLLOKOSA-N 433.512 2.944 0 50 IFAA Cn1cccc1-c1cc(C(=O)N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)n[nH]1 952983823 XKGWOQXPICCQRX-UHFFFAOYSA-N 429.484 2.540 0 50 IFAA O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 1875253197 QMCXVGJZOXYSFF-VWPQPMDRSA-N 443.503 2.924 0 50 IFAA CS(=O)(=O)Nc1cncc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)c1 1875255126 MYHQCHOTQLFDHN-IBGZPJMESA-N 431.539 2.891 0 50 IFAA CN1CCN(C(=O)c2ccc(CNC(=O)Nc3cccc(-c4ccc(O)nn4)c3)cc2)CC1 2325724610 VPWNNAWMDRTWOH-UHFFFAOYSA-N 446.511 2.559 0 50 IFAA NC(=O)c1cccc(CN(CC(=O)Nc2ccc3c(c2)NC(=O)CO3)Cc2ccccc2)c1 2325738243 OJUKDUZUDWBZSC-UHFFFAOYSA-N 444.491 2.757 0 50 IFAA Oc1ccc(N2CCN(c3ncnc4cc(I)sc34)CC2)cn1 2325863822 XZPYNRCCNKAUTC-UHFFFAOYSA-N 439.282 2.723 0 50 IFAA O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 9312061 BABMWRRHLLUPOK-UHFFFAOYSA-N 444.487 2.555 0 50 IFAA CC[C@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N(c1ccccc1)S(C)(=O)=O 13711291 SBNATTBOHHNXCI-LJQANCHMSA-N 442.541 2.668 0 50 IFAA O=C1CC[C@H](CCNCCOc2ccc(F)cc2)N1C[C@@H]1CCCN(c2ncccn2)C1 14985657 PLSCSHGKHPIHCL-TZIWHRDSSA-N 441.551 2.882 0 50 IFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)C2(c4ccccc4)CC2)CCO3)CC1 14991336 RLJHCKBYZUXLHB-UHFFFAOYSA-N 433.552 2.804 0 50 IFAA CCCn1c(SCC(=O)Nc2ccccc2)nnc1[C@@H]1CCCN(S(C)(=O)=O)C1 17101625 MVOUBALRVCJTLJ-OAHLLOKOSA-N 437.591 2.558 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3ccc(F)c(F)c3)cc2OC)CC1 22918903 BFKRXPCNAJIDOG-FQEVSTJZSA-N 449.542 2.640 0 50 IFAA O=S1(=O)CC[C@@H](c2noc(C3(c4ccc(Br)cc4)CCOCC3)n2)C1 225551229 JCAPFOCIAUZUBO-GFCCVEGCSA-N 427.320 2.831 0 50 IFAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)N3CCCC[C@H]3c3cccnc3)N=C2O)cc1 253535725 BCTPEZZSLINQSH-RTWAWAEBSA-N 436.512 2.901 0 50 IFAA Cc1nc(O)nc(O)c1CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccccc1F 952978366 FCDAVQZWBCQCNV-UHFFFAOYSA-N 425.416 2.836 0 50 IFAA O=C(O)[C@H]1CN(C(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC12CCOCC2 1775983551 NHGIQHVKEZNNRJ-GOSISDBHSA-N 434.920 2.532 0 50 IFAA COc1ccc2c(ccn2CC(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2325732299 JURGYFGQPYPXNT-UHFFFAOYSA-N 448.479 2.630 0 50 IFAA Cc1cc(=NC(=O)[C@@H](C)OC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)[nH]o1 2325737892 OQPBZUARQFWWNG-IAQYHMDHSA-N 440.283 2.887 0 50 IFAA COC(=O)c1ccn(CSc2nc3ccccc3c(=O)n2CCn2cc(Cl)cn2)n1 2741124 XUUZWWDGPQVROR-UHFFFAOYSA-N 444.904 2.680 0 50 IFAA COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 4536464 SWPXBDJUGLEKES-WOJBJXKFSA-N 428.485 2.544 0 50 IFAA biogenic,in-vitro Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 11870797 WVCSYTUACGTPIO-UPVQGACJSA-N 432.528 2.967 0 50 IFAA CCOC(=O)c1ccc(COC(=O)CN2C(=O)c3ccccc3C2=O)c(Br)c1 16320068 REYDHXSGCQPASS-UHFFFAOYSA-N 446.253 2.965 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cccc(Cl)c2)cc1C 19838365 KTVABPOBOJEZNR-HXUWFJFHSA-N 429.948 2.706 0 50 IFAA CCOc1ccc(N2C(=O)C[C@H](NC3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 19890114 UPCKZNZDINBZJJ-SFHVURJKSA-N 427.526 2.673 0 50 IFAA O=C(NCCc1nnc2n1CCN(Cc1cccc3cccnc13)CC2)c1ccc(F)cc1 20204406 ODGJDRQCZSBUBZ-UHFFFAOYSA-N 444.514 2.996 0 50 IFAA COCCn1c(CN2CCN(C)C[C@@H]2C(C)C)cnc1S(=O)(=O)CC1CCCCC1 20513375 GQXOEGVNWSZLES-OAQYLSRUSA-N 440.654 2.656 0 50 IFAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nn2)nc1 72139296 JCUACFJUQLMCON-UHFFFAOYSA-N 446.483 2.713 0 50 IFAA CC(C)(C)c1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc(C(C)(C)C)c1O 215857820 NUCXJUKSSHSZOQ-KRWDZBQOSA-N 436.618 2.932 0 50 IFAA O=C(CNS(=O)(=O)c1ccc(Br)cc1Cl)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 241383173 MTAXDTYAUUUWEA-DMAMZFHHSA-N 433.755 2.542 0 50 IFAA COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CCN(CCCC(F)(F)F)CC2 299772285 VGIWNNHJTKWMTH-UHFFFAOYSA-N 439.434 2.810 0 50 IFAA Cn1c(C(=O)N2CC[C@@](c3nc(-c4ccc(F)cc4)no3)(C(F)(F)F)C2)cccc1=O 952893389 LLEWIHQWSHQKSO-LJQANCHMSA-N 436.365 2.921 0 50 IFAA COc1ccc2cc([C@H](C(=O)O)N3CCC(C(N)=O)(N4CCCCC4)CC3)ccc2c1 1506395836 NRJZIXHOELRUNW-OAQYLSRUSA-N 425.529 2.780 0 50 IFAA CCC1(C(=O)NC)CCN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CC1 1704311501 MFFJIHAEXZDUTD-UHFFFAOYSA-N 426.517 2.557 0 50 IFAA C[C@@H](Cn1cc(-c2cncs2)nn1)NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 1875354947 UVKLDIAOBSSDDZ-SWLSCSKDSA-N 430.921 2.613 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1(S(=O)(=O)c2ccccc2)CC1 3138793 ZECUYKBNPUQQHN-UHFFFAOYSA-N 433.429 2.925 0 50 IFAA C[C@H]1CCCCN1CCCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1 4791845 MZDHPJAHNFASNQ-IBGZPJMESA-N 448.567 2.927 0 50 IFAA O=C(Nc1cnn(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c1)[C@@H]1CCOC1 11981990 ZVZQFLWJLQLQSU-HXUWFJFHSA-N 445.523 2.810 0 50 IFAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(C1CCSCC1)CC2 14731787 WDOLOQIRLKHUQK-UHFFFAOYSA-N 432.590 2.613 0 50 IFAA Cc1nc(CN(C)[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cs1 14746216 XVXBKHLSTLIZPC-SFHVURJKSA-N 431.606 2.766 0 50 IFAA CC(=O)N1CCN(C[C@H](O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)CC1 20744367 LOIQEFIYYSGUOG-FQEVSTJZSA-N 436.508 2.672 0 50 IFAA CCOCN(C(=O)CN1CCN(c2nccc(OCC)n2)CC1)c1c(C)cccc1CC 170598212 ZPJZIGGNPVNMGH-UHFFFAOYSA-N 441.576 2.895 0 50 IFAA O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)Nc1nn[nH]n1 217743534 PKBULHBQXVXSEE-IBGZPJMESA-N 431.456 2.514 0 50 IFAA biogenic Cc1cccc([C@@H](CC(=O)N2CCN(c3ncnc4sc(C)cc34)CC2)NC(N)=O)c1 444393288 PVWWGTUBYOXOPH-GOSISDBHSA-N 438.557 2.756 0 50 IFAA O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCN2C(=O)OCC[C@H]2C1 764477155 FAYSHXVTAPGKHG-HNNXBMFYSA-N 427.461 2.802 0 50 IFAA Cc1c(NC(=O)[C@H]2CCCO2)cccc1C(=O)N1CCCN(C(=O)c2ccco2)CC1 1506415701 BTBUUNRAHDJDGF-LJQANCHMSA-N 425.485 2.694 0 50 IFAA C[C@H]1CN(C(=O)c2ccc3c(c2)OCCO3)[C@@H](C)CN1C(=O)c1ccc2c(c1)OCCO2 1459091 ZMXWDHVUZDHASS-HOTGVXAUSA-N 438.480 2.604 0 50 IFAA CN1N=C(C(=O)N(CCN2CCCCC2)C[C@H]2CCCN(C3CCCC3)C2)CCC1=O 12091271 AQOMJPBEMCNGPW-FQEVSTJZSA-N 431.625 2.564 0 50 IFAA CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 14742742 CDXMPALMLLIPKI-UHFFFAOYSA-N 436.512 2.583 0 50 IFAA CCn1nc(C)c(CNC(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)c1C 19635230 OFMOGASJRFJZGP-UHFFFAOYSA-N 436.560 2.756 0 50 IFAA Cc1ccccc1[C@]1(CC(=O)N2CCN(C)[C@H](C)C2)CC(=O)N(Cc2ccccc2)C1=O 20783080 GTSDPCRDEBZWRX-IBVKSMDESA-N 433.552 2.745 0 50 IFAA CCOC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@H](c2ccc(C)cc2)C2=C1COC2=O 169757937 MFQWPSJJCDVVLN-OAQYLSRUSA-N 449.463 2.688 0 50 IFAA CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1 170623414 HQRJZZXNJAIODW-INIZCTEOSA-N 439.917 2.840 0 50 IFAA O=C(CSc1cnn[nH]1)Nc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 252483042 DTCRSFBEFJUTAA-UHFFFAOYSA-N 447.586 2.783 0 50 IFAA CC(C)(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc(=O)o[nH]1 1452154245 WIFQDUWMBRNJRZ-KRWDZBQOSA-N 429.498 2.854 0 50 IFAA O=C([C@@H]1CC12CCCCC2)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857717662 RJTDFTUPPSSHCI-SFHVURJKSA-N 426.561 2.796 0 50 IFAA Cc1cccc(Cn2[nH]cc/c2=N\C(=O)COC(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 2325740175 FNSWBBNABKCEMH-OJXDBOMFSA-N 446.507 2.735 0 50 IFAA O=C(CNc1cccc(-c2cn(C[C@@H](O)c3cccc(Cl)c3)nn2)c1)N1CCOCC1 2325776640 FNYXPPDXYDVAOG-OAQYLSRUSA-N 441.919 2.603 0 50 IFAA O=C1NCc2ccccc2[C@H]1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 2325877587 VIFPCUZFLKKFTK-DHIUTWEWSA-N 425.488 2.741 0 50 IFAA O=C(c1ccc(Br)o1)N1CCN(C(=O)c2ccc(Br)o2)CC1 755496 WSMZPPOCKZMPFD-UHFFFAOYSA-N 432.068 2.996 0 50 IFAA O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccco1 784733 HOVZVPVRMGSLPG-OAQYLSRUSA-N 447.491 2.732 0 50 IFAA CCOc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccncc2)cc1 796341 LTCUXEUJWMXZPW-UHFFFAOYSA-N 425.514 2.679 0 50 IFAA O=C(NCc1nnc2n1CCN(CC(c1ccccc1)c1ccccc1)CC2)[C@@H]1CCOC1 12035518 XIYDTSXJSWISKU-JOCHJYFZSA-N 445.567 2.621 0 50 IFAA CCC(=O)Nc1cc(C(=O)N[C@H]2CCCCNC2=O)c2c(c1)nc(Cc1ccccc1)n2C 12240222 ZZUBNYNUCGWMQW-IBGZPJMESA-N 447.539 2.911 0 50 IFAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)CCC(=O)N(C)C)O3)n1 14961926 ASYCXKKYZXHGNJ-AWEZNQCLSA-N 434.949 2.807 0 50 IFAA Cc1cnc(SCc2ccccn2)nc1[C@H]1CCCN(C(=O)[C@@H](C)N2CCOCC2)C1 15000343 PXFXBEXFRKJKBC-MOPGFXCFSA-N 441.601 2.899 0 50 IFAA CN(C)CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(C(=O)C(C)(C)C)CC2)C1=O 299763101 GQDHWLADYCGUTI-VWLOTQADSA-N 442.604 2.756 0 50 IFAA CCS(=O)(=O)Nc1cccc(N2CCC(N[C@@H](Cc3ccccc3)C(=O)OC)CC2)c1 299800458 WSXYGKPOVWNERV-QFIPXVFZSA-N 445.585 2.791 0 50 IFAA COCCCn1c(C)cc(O)c([C@@H](CC(=O)OC)c2c[nH]nc2-c2ccccc2)c1=O 824396580 SPGFKUOPTJIVAZ-KRWDZBQOSA-N 425.485 2.984 0 50 IFAA COc1cccc(CO[C@@H](C)C(=O)Nc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c1 1875254575 JUWYPOLDZFEMCU-PXNSSMCTSA-N 425.529 2.936 0 50 IFAA O=C(Nc1cccc(OCC(F)F)n1)[C@@H]1C[C@H]1C(=O)Nc1cccc(OCC(F)F)n1 2325714233 VHOLGMFIPIMAFF-GHMZBOCLSA-N 442.369 2.978 0 50 IFAA Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 625838 WUNTXRZTTOWDFR-UHFFFAOYSA-N 427.478 2.864 0 50 IFAA biogenic COc1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2nccc2C)cc1OCC1(C)COC1 11814373 MBKUQFYQLOHVGY-HXUWFJFHSA-N 443.544 2.823 0 50 IFAA COc1ccc(CN2CCOc3ccc(CN4CCOCC4)cc3C2)c(OC)c1OC 12131429 KXJYHFKODMZMNH-UHFFFAOYSA-N 428.529 2.939 0 50 IFAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)C2=C(C)OCCO2)C1 12594093 KBSHPOPFJGYKRQ-HXUWFJFHSA-N 431.577 2.576 0 50 IFAA CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1cnn(CC)c1)CC2 14536250 JHTXABNDGDOQOI-UHFFFAOYSA-N 437.500 2.532 0 50 IFAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NC[C@H]2CCCN(C)C2)c1=O 14965990 NHTQZQKYVFHVPI-LJQANCHMSA-N 430.593 2.638 0 50 IFAA Cc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)cc1Cl 72115814 BSUWABGUXJDFPG-UHFFFAOYSA-N 429.956 2.544 0 50 IFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2OC)C2=C1C(=O)OC2 169764797 PUVUUPCSPYGNKH-NRFANRHFSA-N 437.452 2.610 0 50 IFAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1nc(-c2ccccc2)cs1 169772685 PSPYOWITSBFIEE-GOSISDBHSA-N 434.521 3.000 0 50 IFAA CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)COc1cccc(NC(=O)c2ccco2)c1 170608951 POFWGIQXWBXZJE-LJQANCHMSA-N 437.452 2.596 0 50 IFAA O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 229631776 XVFQESNBXYQSTJ-CFNVJGFXSA-N 428.488 2.934 0 50 IFAA O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2ccccc2)C1 239025531 BSQQNFFTCNJNFQ-XVMBXYQCSA-N 442.471 2.957 0 50 IFAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NC[C@H](O)c3ccccc3)CC2)cc1 245255299 HEUPQPBHWIIXPE-JLMWRMLUSA-N 446.569 2.630 0 50 IFAA COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]3[C@@H](C)C(=O)C[C@H](c5ccco5)N3C(=O)[C@H]24)c1 252694977 SOLPERFSTZHDQZ-FRKMHLKPSA-N 448.475 2.728 0 50 IFAA COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2187066 JQNACLIZFMFLSZ-UHFFFAOYSA-N 447.509 2.948 0 50 IFAA COc1cc(C[C@]2(CCC(=O)NCCCOc3cccnc3)CCC(=O)N2)ccc1F 11785629 NXLWQEVHHZDGQF-QHCPKHFHSA-N 429.492 2.786 0 50 IFAA COC(=O)c1cc(CNC(=O)c2cnsn2)cc(NC(=O)c2ccccc2OC)c1 11983177 FPEYJHAUHQANKV-UHFFFAOYSA-N 426.454 2.516 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)N(C)C2CCCCC2)(c2ccccc2OC)C1=O 12165252 RLSGNRYDRHMZPH-DEOSSOPVSA-N 430.545 2.910 0 50 IFAA O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)CCn2cncn2)CC1 12199783 HWEQJFAUOBFKMV-UHFFFAOYSA-N 435.532 2.690 0 50 IFAA Cc1ccccc1[C@@]1(CC(=O)N2CCN(C)[C@@H](C)C2)CC(=O)N(Cc2ccccc2)C1=O 20783089 GTSDPCRDEBZWRX-RXFWQSSRSA-N 433.552 2.745 0 50 IFAA O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 72437061 DALKOGHKMXULQZ-UHFFFAOYSA-N 443.551 2.794 0 50 IFAA COc1ccc(N2C(=O)[C@H](CC(=O)NCc3cc(Cl)cc4c3OCOC4)N=C2O)cc1 252510001 YZTVFAAOUNRETL-KRWDZBQOSA-N 445.859 2.551 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N1CC(=O)Nc2cnccc21 461766609 WQEFXGKHGBQJHT-OAHLLOKOSA-N 428.514 2.552 0 50 IFAA O=C(NCCC1=CCNCC1)N1CC[C@@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1 952894558 RQFDCAOVAXQJME-LJQANCHMSA-N 436.438 2.657 0 50 IFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cc3c(F)ccc(F)c3[nH]2)c1 2325732840 HDABCPWOJVMKBP-UHFFFAOYSA-N 446.362 2.815 0 50 IFAA O=C(O)[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccc(Br)c(Cl)c1 2325876464 WJSUMCLBXJHWQS-GXFFZTMASA-N 426.716 2.717 0 50 IFAA O=C1NCc2ccccc2[C@@H]1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 2325877588 VIFPCUZFLKKFTK-GOTSBHOMSA-N 425.488 2.741 0 50 IFAA Cc1cc(C(=O)N=S2(=O)CCC3(CC2)C[C@H](NC(=O)[C@@H]2CC2(F)F)CCO3)ns1 2332238264 JNNTYUXUMBNASI-MHSUHCNSSA-N 447.529 2.543 0 50 IFAA COc1cccc(CO[C@H]2CN(Cc3nc[nH]c3C)CC(=O)N(Cc3ccccn3)C2)c1 14732245 GXJMUHXLLPLGFH-QFIPXVFZSA-N 435.528 2.552 0 50 IFAA CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O 19880899 GVINMWYBWOGXFB-LEWJYISDSA-N 436.512 2.776 0 50 IFAA COc1ccc(CN(C)Cc2ccc(C)o2)cc1OC[C@@H](O)CN1CCCN(C)CC1 20541338 YWTBWPNFDKRTRW-NRFANRHFSA-N 431.577 2.606 0 50 IFAA COc1cc(-c2noc(CN3C(=O)NC(C4CC4)(C4CC4)C3=O)n2)ccc1OC(F)F 110090760 MZROQSLWHBRPDH-UHFFFAOYSA-N 434.399 2.957 0 50 IFAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)NCc3ccccc3Cl)C3=C2C(=O)OC3)cc1 169758077 CVPIVLDNZDSVAP-FQEVSTJZSA-N 425.872 2.842 0 50 IFAA COc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC(C)C)CC4)c3CO2)cc1 169758862 KBOHLJWRTPPELH-OAQYLSRUSA-N 440.544 2.788 0 50 IFAA CSCC[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 206246094 CMBBQQLZOLKERP-MSOLQXFVSA-N 437.525 2.614 0 50 IFAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc(OCCc3ccccc3)cc2)c1O 253623886 RZGYRXXCYQBLDN-SFHVURJKSA-N 436.464 2.908 0 50 IFAA biogenic CCOC(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C 784819120 VIFSNOFBCPBKHF-YJBOKZPZSA-N 447.532 2.954 0 50 IFAA CCOC(=O)Nc1ccc(C(=O)NCC(=O)N[C@@H](C(=O)OC)c2ccc(CC)cc2)cc1 1875383245 MFCOEICGDGGYOK-HXUWFJFHSA-N 441.484 2.578 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)C1CCCCC1 1109196 ATRHNSNURDVPDL-UHFFFAOYSA-N 436.315 2.824 0 50 IFAA CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2)CC1 9906349 ONSLELWWTQTRSV-UHFFFAOYSA-N 426.542 2.637 0 50 IFAA CC(C)Oc1ccc(CCNCc2cccc(OC[C@@H](O)CN3CCOCC3)c2)cc1 11874376 MLFXWGHUAYLBSJ-QHCPKHFHSA-N 428.573 2.878 0 50 IFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)N(CC=C(C)C)C2)nn1 12206189 WLWWKMSJKIYKNB-QUCCMNQESA-N 445.951 2.659 0 50 IFAA Cc1csc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)n1 19798716 WWHIGVTZLAOLNZ-UHFFFAOYSA-N 430.559 2.595 0 50 IFAA COc1cccc(CNC(=O)CN2C(=O)N[C@@H](c3ccc(Cl)cc3)C3=C2COC3=O)c1 169757888 POZVNTADTMOPIF-FQEVSTJZSA-N 441.871 2.542 0 50 IFAA COc1cccc(CC(=O)N2CCN(C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1 241942354 ULVZNKQKSMGOGH-CYFREDJKSA-N 429.561 2.639 0 50 IFAA COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@H](C(=O)NC4CCCC4)[C@H]5C3=O)nc2c1 245246119 IYFIFVRJEYGKAR-VIRVFLBCSA-N 425.510 2.650 0 50 IFAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 248375263 APUXMZSGHJUBPT-SMOZNVCYSA-N 449.894 2.974 0 50 IFAA O=C(C[C@@H]1Cc2c(n(Cc3ccccc3)c(O)nc2=O)NC1=O)Nc1ccc(Cl)cc1 253537550 OQYOVKACCNJONT-AWEZNQCLSA-N 438.871 2.790 0 50 IFAA Cc1c(C)[n+]([O-])c([C@H](c2ccncc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263587291 FGMUJBIVZRLXDK-LJQANCHMSA-N 435.480 2.766 0 50 IFAA Cc1ccccc1[C@@]1(CC(=O)N(C)Cc2ccon2)CC(=O)N(Cc2ccncc2)C1=O 299787594 PKXCETDULUIDLJ-XMMPIXPASA-N 432.480 2.624 0 50 IFAA CC(C)Cn1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)cc2c1=O 334162835 ZVWNORROGGUXBB-CMKODMSKSA-N 443.573 2.717 0 50 IFAA NC(=O)COc1ccc(/C=C/C(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1 1875260480 UITUKYIPBMXRKZ-FPYGCLRLSA-N 446.507 2.550 0 50 IFAA O=C1N=C(NS(=O)(=O)N2CCCC[C@@H]2CC2(C(F)(F)F)N=N2)C(=C(Cl)Cl)N1 2084443327 FPHGTNWYLDWHGW-ZCFIWIBFSA-N 449.242 2.558 0 50 IFAA CC(C)[C@@H]1CN(CC(F)(F)F)CCN1CC(=O)N1CCN(Cc2cccs2)CC1 2325729837 ZFDCLCHXRKJBDH-SFHVURJKSA-N 432.556 2.597 0 50 IFAA Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 1076845 BXHWXNBICQWVEF-UHFFFAOYSA-N 434.514 2.718 0 50 IFAA COc1ccc(-c2noc(CN3CCCC[C@@H]3CCN3CCOCC3)n2)c(OC)c1OC 11879945 CGHURMJGVGMYCM-QGZVFWFLSA-N 446.548 2.839 0 50 IFAA COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)cc1Cl 12706017 OETHVHXHEIRDGY-AWEZNQCLSA-N 434.924 2.914 0 50 IFAA COc1cccc(-c2nc(CN3CCC(C(=O)N4CCOCC4)CC3)c(C)o2)c1OC 20994990 UBPALUXZLKHXTF-UHFFFAOYSA-N 429.517 2.738 0 50 IFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3[C@@H]4[C@H]5[C@]16CCN(Cc1ccccc1)CC[C@]56[C@@H]2[C@@H]34 253616565 CKKYAHQBURBLEC-POANAGGMSA-N 438.531 2.685 0 50 IFAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3CO2)cc1 263615313 BSTIMGNYFQRKJJ-NRFANRHFSA-N 437.475 2.660 0 50 IFAA CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2c[nH]c3cccc(F)c23)CC1 474585986 KRCDCSPGJVNNRU-UHFFFAOYSA-N 430.549 2.923 0 50 IFAA CC(C)(C)c1cc(NC(=O)Nc2c[nH]nc2-c2ccccn2)n([C@@H]2CCS(=O)(=O)C2)n1 1875259736 SPNVYMYBODICGO-CYBMUJFWSA-N 443.533 2.969 0 50 IFAA COC(=O)c1ccc2nn(CC(=O)N3c4ccccc4CCc4ccccc43)c(=O)n2c1 2325748777 MMFPVNZZUZVXBN-UHFFFAOYSA-N 428.448 2.746 0 50 IFAA O=C(NC1CCN(C(=O)c2n[nH]cc2C(F)(F)F)CC1)c1ccc(Br)o1 2325827385 DVDQHMRHQWYTSS-UHFFFAOYSA-N 435.200 2.819 0 50 IFAA Cc1cc(Cl)ccc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O 916500 HQNZVKMFUDCRTO-UHFFFAOYSA-N 439.940 2.902 0 50 IFAA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)cc2)c2ccccc21 1143191 CLTWIQGJEUTDQU-HXUWFJFHSA-N 432.270 2.819 0 50 IFAA COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1 3801505 NINYZUDVKTUKIA-IBGZPJMESA-N 426.469 2.733 0 50 IFAA investigational COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCN1C(=O)c2cccc3cccc(c23)C1=O 8664586 OTIMNPOCANXQLF-HXUWFJFHSA-N 430.460 2.726 0 50 IFAA CCOC(=O)N1CCC(N2C(=O)CC[C@@H]2CCNCc2ccc(C(=O)OC)cc2)CC1 15072610 IRTPUQADVICOIQ-LJQANCHMSA-N 431.533 2.565 0 50 IFAA COc1ccc(NC(=S)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC 16345908 NSKFBQOWIQUUAU-UHFFFAOYSA-N 437.543 2.534 0 50 IFAA COCCCNC(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CCN(C)CC1 19300918 AAAXXJKQGHIKJH-UHFFFAOYSA-N 429.536 2.772 0 50 IFAA CC(C)Oc1ccc(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1 20598783 PTGWGEUDQUUFJB-UHFFFAOYSA-N 449.555 2.819 0 50 IFAA COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 253426616 ZIJRMTQFIQEMRK-SWLSCSKDSA-N 440.422 2.759 0 50 IFAA COc1cc2c(cc1OC)[C@@H](NC(=O)CC[C@H]1NC(=O)N(Cc3ccccc3)C1=O)CC2 886024139 BFGXXNHYDGQUSX-RBUKOAKNSA-N 437.496 2.708 0 50 IFAA Cc1cc(CN2CC3(CCN(C(=O)COc4cccc(Cl)c4)CC3)OCCC2=O)on1 1857721840 IMEOCAMQIAURKU-UHFFFAOYSA-N 447.919 2.826 0 50 IFAA COc1ccc(CCN(Cc2ccccc2)C(=O)CCc2c(C)nc3nc[nH]n3c2=O)cc1 1875253409 FDXQGOKNIZDXGF-UHFFFAOYSA-N 445.523 2.939 0 50 IFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCCc5cccc(F)c54)ccc3C2=O)C(=O)N1 2325901474 HPSKKGLLQCVOGT-SFHVURJKSA-N 436.443 2.571 0 50 IFAA CSc1ccc(CN2C[C@H](Sc3nccn3C)C[C@H]2C(=O)N2CCOCC2)cc1 11786558 FOEUGAGWERASQW-MOPGFXCFSA-N 432.615 2.736 0 50 IFAA Cc1noc(C)c1CO[C@@H]1CN(CC(C)C)C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C1 14538063 BGWKGKYHEQVHEB-GOSISDBHSA-N 443.500 2.546 0 50 IFAA COCc1c(C(=O)NCC[C@@H]2CCCN2C)cnn1-c1nccc(-c2cccs2)n1 14982341 YDCRZRKRFJAGNR-HNNXBMFYSA-N 426.546 2.751 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 19782523 IRBACUXAMQGEEZ-IBGZPJMESA-N 440.496 2.687 0 50 IFAA CCOC(=O)C[C@H]1COCCN1Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 20149121 NDWUVMBPBUDIPN-KRWDZBQOSA-N 448.589 2.956 0 50 IFAA Cc1cccc(OCC(=O)NCCNC(=O)c2nc(-c3ccc(Cl)cc3)no2)c1C 20417956 YMDRFJUUERARBM-UHFFFAOYSA-N 428.876 2.932 0 50 IFAA O=C1C[C@H](Cc2ccc(NC(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)cc2)C(=O)N1 170635442 IPJULFGCTBZTNR-KSSFIOAISA-N 425.872 2.537 0 50 IFAA O=C(NCc1cccc(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253427888 OLNFOEKJUXQRLL-INIZCTEOSA-N 429.325 2.699 0 50 IFAA C[C@@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1(c2ccccc2)CCCC1 476791676 KFZMUXCGGBRIJK-VGOFRKELSA-N 427.545 2.619 0 50 IFAA CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](OCc4ccccn4)C3)ccc21 952974276 JCYFJOQSJJUBKW-FQEVSTJZSA-N 429.542 2.751 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(c3cc(N4CCCC4)nc(N)n3)CC1)OCC2 1704314015 VSYDUZYCYFYPAS-UHFFFAOYSA-N 425.533 2.745 0 50 IFAA CC[C@@H](OC)C(=O)N[C@H]1CCOC2(CCS(=O)(=NC(=O)c3ccoc3Cl)CC2)C1 2332238195 FOGTYKAMHJELJS-GXCUSVDCSA-N 446.953 2.794 0 50 IFAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCCC1 778636 NHPCOYMGCBQXNP-UHFFFAOYSA-N 434.489 2.851 0 50 IFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)CC(=O)N2CCC(C)CC2)cc1 1115931 CGIAMDUYYUGQQG-UHFFFAOYSA-N 449.617 2.503 0 50 IFAA O=C(CNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)OCC(=O)c1ccccc1 1850249 SBBCOOHDNLGOFT-UHFFFAOYSA-N 442.427 2.643 0 50 IFAA C[C@@H](NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)c1ccc(F)cc1 12570876 MQHMNZKWCZEUAU-MRXNPFEDSA-N 449.548 2.966 0 50 IFAA O=C1C[C@@](CC(=O)N2CCCC[C@@H]2CO)(c2cccc(C(F)(F)F)c2)C(=O)N1C1CC1 14987405 CWLIKOVXGWJKSI-UTKZUKDTSA-N 438.446 2.628 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC(C)C)cc3)CC2)cc1 17100728 TZLIKONGPXKOAX-UHFFFAOYSA-N 436.599 2.889 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCc1ccccn1 19842275 YLZKYDHVVDCMAD-HSZRJFAPSA-N 430.508 2.881 0 50 IFAA COc1ccccc1N1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 100028679 OSHHXULSMJTMEH-SFHVURJKSA-N 444.329 2.912 0 50 IFAA CCOC(=O)[C@@H]1N[C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 226870921 VNNZLGIBHWIYBJ-BRSBDYLESA-N 443.297 2.831 0 50 IFAA CN(C(=O)c1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1)c1ccccn1 408520978 DIHAKSPTYMTVMO-UHFFFAOYSA-N 425.514 2.650 0 50 IFAA CC[C@@H]1Oc2cc([C@@H](C)NS(=O)(=O)CCc3ccc4c(c3)CCO4)ccc2NC1=O 477597641 FBJDJVIQAZAGMP-KUHUBIRLSA-N 430.526 2.954 0 50 IFAA O=C(N[C@@H]1Cc2ccc(Br)cc2NC1=O)[C@H](O)Cc1c(F)cccc1Cl 2325860684 PQPXVHSTZIXHFM-HZPDHXFCSA-N 441.684 2.825 0 50 IFAA COc1ccc(CNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 1174367 MTGFKZUMGZANAJ-UHFFFAOYSA-N 427.320 2.540 0 50 IFAA Cc1ccc(-n2c(=O)c3c4c(sc3n3c(SCC(N)=O)nnc23)CCCC4)cc1 1205001 GMVSJDJERUHVCV-UHFFFAOYSA-N 425.539 2.860 0 50 IFAA COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)c1 2868733 LDMJZRMHPXQCJT-UHFFFAOYSA-N 429.477 2.875 0 50 IFAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2cc(OC)ccc2OC)CC1 12300838 BXIBTQLGEJAVOX-JOCHJYFZSA-N 434.577 2.612 0 50 IFAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CN(C)Cc3ccccc3)cc2)CC1 12439344 LWUFDPUATYKFCD-QHCPKHFHSA-N 426.557 2.943 0 50 IFAA CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)NCc2cccc(-n3cccn3)c2)c1=O 15068037 YADDDPKCVLCACU-UHFFFAOYSA-N 435.528 2.931 0 50 IFAA CCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 16400487 KTXVHCQPPRNLDL-UHFFFAOYSA-N 433.530 2.805 0 50 IFAA CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)O)CC2)cc1 17100604 SBCLZMFFHNJUSF-VQTJNVASSA-N 436.574 2.753 0 50 IFAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(Br)cc1 101328320 NUTXLJRMNAMPLA-LUVWLHFXSA-N 434.286 2.596 0 50 IFAA COc1ccc(Cn2c(C3CCN(C(=O)Cc4ccccc4OC)CC3)n[nH]c2=O)cc1 169770683 OIKJHCSXIBTJQL-UHFFFAOYSA-N 436.512 2.586 0 50 IFAA CN1CC[C@@H](NC(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)[C@@H]1c1ccccc1 1875331533 LTVCEPKMVNQCMR-ZRXZBVFWSA-N 434.540 2.650 0 50 IFAA Cc1cnn(C2CCN(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cn3)CC2)c1 2325742312 ZYHUDQMTQOZRIH-UHFFFAOYSA-N 432.550 2.630 0 50 IFAA COc1c[nH]c(C(=O)N[C@H](c2ccccc2)[C@H](C)NC(=O)C[C@@H]2C[C@H]3C=C[C@H]2C3)cc1=O 2325876506 XYBRCLPJQBIZOG-BPZOCRNGSA-N 435.524 2.962 0 50 IFAA COC(=O)c1ccccc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 821094 SAULBOUGKOEMDN-UHFFFAOYSA-N 441.303 2.640 0 50 IFAA Cn1ncc(I)c1C(=O)Nc1ccn(Cc2ccccc2F)n1 2749395 XDVRGGTUBUJPFY-UHFFFAOYSA-N 425.205 2.661 0 50 IFAA CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2nnc(NC(C)=O)s2)nc1C 2881976 GIWPDHRYXWFMHD-VIFPVBQESA-N 429.549 2.948 0 50 IFAA CC(=O)OCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 8926164 JAOMWDYJXAYQIC-QGOAFFKASA-N 431.286 2.899 0 50 IFAA CCN(CC)C[C@H](O)COc1ccc(CNCCc2nc3ccccc3n2C)cc1OC 11664809 YZXDJOHTDIHWJT-FQEVSTJZSA-N 440.588 2.996 0 50 IFAA CN(Cc1ccccn1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12448356 KEDKAKWCIGOFME-UHFFFAOYSA-N 437.949 2.810 0 50 IFAA O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)NCCN1CCOCC1 19374036 VYAJKNAQASQCSS-UHFFFAOYSA-N 426.464 2.703 0 50 IFAA CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C1 225435385 PMICPDZVDNECSW-SFHVURJKSA-N 443.610 2.512 0 50 IFAA CCC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(Cc3cccnc3)C2=O)C1 11791317 OGUGCHVWEFRTSG-RXFWQSSRSA-N 447.535 2.886 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 13372236 PJSMLXNHQZCQEP-JOCHJYFZSA-N 435.524 2.749 0 50 IFAA CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N(CC)CC)ccc1OC 13681858 IPSSRRSSDOOQHS-UHFFFAOYSA-N 433.530 2.728 0 50 IFAA COc1cc(Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)on1 1875345381 YSIHVPZYDKMMDV-UHFFFAOYSA-N 443.463 2.501 0 50 IFAA O=C(NC[C@@H]1CC2(CC2)CN1C(=O)c1cc(O)c2ccoc2c1)c1cc2ncccn2n1 1875358923 NGOATQJYTSNQQU-HNNXBMFYSA-N 431.452 2.606 0 50 IFAA CCOC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)Nc1nc2ccccc2s1 2325850182 OJHPLVAGLCTWNN-ZIAGYGMSSA-N 434.543 2.757 0 50 IFAA COc1ccc(OC)c(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)c1 652610 UUPYZYRRVJGILL-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA CC(=O)c1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 1049648 FOTXEOULZFGNOE-UHFFFAOYSA-N 443.525 2.530 0 50 IFAA Cn1c(=O)c2c3c(sc2n2c(SCC(=O)Nc4ccccn4)nnc12)CCCC3 1248880 GNLZQPNOAVHWLW-UHFFFAOYSA-N 426.527 2.647 0 50 IFAA O=C1CC[C@H](C(=O)N2CCCN(Cc3cccnc3)CC2)CN1CCc1cccc(F)c1 12319196 SJHDPKXEDJHFMI-QFIPXVFZSA-N 438.547 2.736 0 50 IFAA COC(=O)c1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)cc1 12718762 SDTDJMVSWOUCHR-QHCPKHFHSA-N 445.519 2.633 0 50 IFAA CN1C(=O)C[C@](CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)(c2cccc(F)c2)C1=O 15066739 CRAZRKQMRKTGQP-MDRWGITRSA-N 449.526 2.700 0 50 IFAA COc1cccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c1OC 169775629 SHYQWMCCWYIADF-UHFFFAOYSA-N 436.443 2.749 0 50 IFAA O=C(COC[C@@H]1CCCO1)N[C@H](CO)c1ccc(Br)cc1C(F)(F)F 225444921 GUUDAYOWHOQDLL-SMDDNHRTSA-N 426.229 2.813 0 50 IFAA Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(c6ccccc6)C(=O)[C@@H]54)[C@H]32)cc1 247998211 CIJNUGYMNLRZJV-BGJURXJTSA-N 434.517 2.606 0 50 IFAA CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)ccc1OC)C(=O)OC 253483640 YQDYWYLIQHDLLL-CYFNAFFESA-N 430.505 2.672 0 50 IFAA Cc1ccc(Cn2cccc(NS(=O)(=O)c3cc(C)cc(C(=O)O)c3O)c2=O)cc1 436640167 GXQNONJHKNWHCH-UHFFFAOYSA-N 428.466 2.718 0 50 IFAA CCOC(=O)C1CCN(C(=O)C[C@H](C)Nc2cnn(Cc3cn4ccccc4n3)c2)CC1 1875258938 LAKNSBADHCCRJO-KRWDZBQOSA-N 438.532 2.571 0 50 IFAA CCn1cc(CN(C)C(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)n1 2852528 QVCDHPRAULTFOZ-UHFFFAOYSA-N 445.574 2.631 0 50 IFAA COc1ccc(C(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1OC 11697187 UGNOMSVQGREMMW-UHFFFAOYSA-N 434.500 2.903 0 50 IFAA COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)CN4CCOC4=O)C3)cc2)c1 12199742 GIJVVKBQKJIHCY-IBGZPJMESA-N 437.496 2.992 0 50 IFAA O=C(NC1CCCC1)c1ccc(OC2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c(Cl)c1 12612648 NDOVNPYYPSBWPA-UHFFFAOYSA-N 444.919 2.779 0 50 IFAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(C1CCSCC1)CC2 14732705 WUIYMYUQNIYBKQ-UHFFFAOYSA-N 447.601 2.836 0 50 IFAA O=S(=O)(O)N(CCc1ccccc1)C[C@H](O)COc1cccc(Br)c1 22205765 SFRBHWYRHFWQQQ-INIZCTEOSA-N 430.320 2.536 0 50 IFAA Cc1ccc([C@@H]2NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1 169757961 KGJZBVCLRKPYMZ-NRFANRHFSA-N 439.899 2.885 0 50 IFAA O=C(Nc1ccc(CN2CCN(C3CC3)CC2)cn1)c1cnn(-c2ccc(Cl)cc2)n1 1875264942 ZBWPROULENLQGU-UHFFFAOYSA-N 437.935 2.848 0 50 IFAA CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(F)c3)C2)cc1 645100 NHXFLZFZPNHKPP-SFHVURJKSA-N 425.507 2.698 0 50 IFAA COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)c1 666443 RQUFUBVNHMYLQZ-FQEVSTJZSA-N 426.425 2.804 0 50 IFAA O=C(CCc1ccncc1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccncc2)C1 14531585 RFQAWWRPADHZAN-QHCPKHFHSA-N 436.556 2.998 0 50 IFAA CCN(CC)CCN(C)Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC 20166293 AOEGHVSYCVDGOO-UHFFFAOYSA-N 428.643 2.657 0 50 IFAA Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 43207238 XTNGUQKDFGDXSJ-ZXGKGEBGSA-N 444.524 2.968 0 50 IFAA fda O=C1CC[C@](CCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)(Cc2ccc(F)cc2)N1 101940844 GTBRQXUYSIMOLZ-MHPIHPPYSA-N 437.515 2.605 0 50 IFAA COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2CCCCC2)cc(=O)c1O 217720923 RYYGLFAIUCNCTN-INIZCTEOSA-N 447.484 2.749 0 50 IFAA biogenic COC1CCN(C(=O)NC[C@H](NC(=O)N2CCC(OC)CC2)[C@H](C)c2ccccc2)CC1 225829175 MIZYQKAFJUCSOU-GCJKJVERSA-N 446.592 2.800 0 50 IFAA COC(=O)c1ccc(CNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)nc1 328591385 XOMAZFFPGUBSAQ-UHFFFAOYSA-N 428.448 2.556 0 50 IFAA CN(C)C(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 442990811 SGQCONDRVXLPMB-UHFFFAOYSA-N 433.505 2.567 0 50 IFAA C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 476858659 OPCVFITWNIEAHV-LSDHHAIUSA-N 442.507 2.897 0 50 IFAA CCC(CC)C(=O)NCC(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(N)c(Cl)c2)C12CCC2 1875362405 CYKFTXWYSGZPDU-MSOLQXFVSA-N 434.968 2.632 0 50 IFAA Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCC[C@@](O)(Cc3nc(C(C)C)no3)C2)c(C)c1 2325757690 QGEZIAXBQTTZNL-UZUQRXQVSA-N 443.548 2.916 0 50 IFAA CCOC(=O)C1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1 789117 PDNYWVYMEGPNJJ-UHFFFAOYSA-N 437.345 2.561 0 50 IFAA C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1)c1ccccc1 802368 GUUSOCKGMLEOAC-QGZVFWFLSA-N 425.510 2.816 0 50 IFAA Cc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1C 1058927 QHHCZPDPDPESBR-SFHVURJKSA-N 433.549 2.946 0 50 IFAA COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 2873874 RYSCWEDJPWGBOT-GOSISDBHSA-N 432.542 2.729 0 50 IFAA CN1CCCC[C@@H]1C(=O)NC[C@@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 11813509 HESGULPANIIOMJ-PZJWPPBQSA-N 428.554 2.661 0 50 IFAA COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H](C)n2nc(C)cc2C)C3)nn1 11880461 RMXOFXGSIGHYAN-WMLDXEAASA-N 425.464 2.786 0 50 IFAA COCc1c(C(=O)NCC(C)(C)CN(C)C)cnn1-c1nccc(-c2cccs2)n1 11909100 OYSDEAUQAHZVQR-UHFFFAOYSA-N 428.562 2.855 0 50 IFAA CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1ccc(OCc2ccccc2)cc1 13483793 KOJWBGYLOTVIFJ-UHFFFAOYSA-N 425.510 2.743 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)NCC1(N2CCCCC2)CCCCC1 15065314 BFPLKNJTOWWPIX-JOCHJYFZSA-N 426.605 2.682 0 50 IFAA CC[C@@H](C)C(=O)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1 23129643 CYHWKDZTWLHOEJ-WIYYLYMNSA-N 443.563 2.714 0 50 IFAA COc1ccc(CN2CCN(Cc3cccn3-c3ncccn3)C[C@H]2CCO)c(C)c1C 104311087 RKEDTVFJAZZGGD-JOCHJYFZSA-N 435.572 2.962 0 50 IFAA CC(C)N1CCC(N2CCN(Cc3cn(C)nc3-c3ccccc3)C[C@H]2CCO)CC1 104367048 LAGQPGVOIFPQRN-XMMPIXPASA-N 425.621 2.829 0 50 IFAA O=C(O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 169619902 GBINUSMYWOVERC-ZCZDTUGYSA-N 427.882 2.518 0 50 IFAA COc1ccc(CCN2C(=O)[C@@]3(Cc4ccccc4N4CCC[C@H]43)C(=O)N=C2O)cc1OC 230013768 PWMQBAAJQGLVMB-SQJMNOBHSA-N 449.507 2.741 0 50 IFAA biogenic COc1ccccc1CN1C(=O)[C@@H](CCC(=O)Nc2nnc(CC(C)C)s2)N=C1O 252572568 ZKOBMODOJIGWKI-CQSZACIVSA-N 431.518 2.789 0 50 IFAA O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cc2ccccc2o1 299761443 LTYXHJTYRATBQZ-HXUWFJFHSA-N 425.529 2.512 0 50 IFAA Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)CC1 771977221 CRRLQHCHLBHPPM-SFHVURJKSA-N 444.923 2.821 0 50 IFAA O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)Cc2cn3ccsc3n2)CCCN1 2356161631 CINKQHPJNSMEFM-FQEVSTJZSA-N 439.585 2.788 0 50 IFAA O=C(NS(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1)c1ccccc1 806665 OOSQVMRHOCVEPA-FQEVSTJZSA-N 438.461 2.584 0 50 IFAA COC(=O)c1c(S(=O)(=O)NCc2ccccc2)sc2c1CCN(C(=O)CC1CC1)C2 12211913 JVRWBJFVWZTZDE-UHFFFAOYSA-N 448.566 2.698 0 50 IFAA COc1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)N[C@@H](C)C(=O)O)cc1 12381012 OLEFGRANKFJCSX-OOIIIRTPSA-N 447.285 2.818 0 50 IFAA COCCNC(=O)[C@@H]1C[C@@H](NCc2cccc(OCc3ccccc3)c2)CN1C(C)C 20295542 LVZLGTMOLNDNIJ-VWNXMTODSA-N 425.573 2.969 0 50 IFAA Cc1nn(-c2ccccc2)c(C)c1CN1CCN(CN2C(=O)c3ccccc3C2=O)CC1 20613971 ZGYBJIWWCOKVDH-UHFFFAOYSA-N 429.524 2.860 0 50 IFAA Cc1ccc(OC[C@H](O)CN2CCN(C[C@@H](O)COc3ccc(C)cc3C)CC2)c(C)c1 22942676 NZKIJLNQPNZRLF-DNQXCXABSA-N 442.600 2.717 0 50 IFAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(C)nc(N3CCOCC3)n2)CC1 64800401 MJWPWZDIVVGEJO-UHFFFAOYSA-N 446.939 2.638 0 50 IFAA O=S(=O)(N(c1cccc(Br)c1)S(=O)(=O)C(F)(F)F)C(F)(F)F 67800041 FXKFESBUHCGTBI-UHFFFAOYSA-N 436.149 2.955 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1scnc1C)n2C 253419891 DFFUZMZPUBXHFZ-UHFFFAOYSA-N 435.575 2.940 0 50 IFAA COc1ccc(F)c2[nH]c(C(=O)N3CCN([C@H](C(N)=O)c4ccc(Cl)cc4)CC3)cc12 474424578 GXHYJIQIEVFAOX-FQEVSTJZSA-N 444.894 2.953 0 50 IFAA CNS(=O)(=O)c1cc(/C=C/C(=O)OCc2ccc(-n3ccnc3)cc2C)ccc1OC 2325703733 TYAMGABZULTVJN-WEVVVXLNSA-N 441.509 2.854 0 50 IFAA CC[C@@H](OC)C(=O)N=S1(=O)C[C@H]2C[C@@H](CN(C(=O)c3cccc(OC(F)F)c3)C2)C1 2332238203 FQXUVANYBCUXHY-GRDNDAEWSA-N 444.500 2.800 0 50 IFAA O=C(C(=O)N1CCOCC1)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12 2876364 QNIYJWBJCYIWPW-UHFFFAOYSA-N 431.492 2.662 0 50 IFAA COc1cccc(OC[C@@H](O)CN2C(=O)CC[C@H]2CCNCCOc2ccc(F)cc2)c1 15007731 UOJSKHSLEPVZDC-PMACEKPBSA-N 446.519 2.624 0 50 IFAA COc1ccc(S(=O)(=O)n2nc(-c3cnn(C)c3)c(Cl)c2-c2cnn(C)c2)cc1 20617886 YMDGORPAEWTWFZ-UHFFFAOYSA-N 432.893 2.583 0 50 IFAA CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]1O 241719791 QPPZFMUEXZZDBD-YDBZGQDJSA-N 435.476 2.923 0 50 IFAA CCC[C@@]1(C2CCN(Cc3cccnc3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 299764910 WFHAHICNDFHHDQ-URXFXBBRSA-N 427.593 2.869 0 50 IFAA Cc1ccc(N2CCN(S(=O)(=O)c3ccc4nc(O)nc(O)c4c3)[C@@H](C)C2)cc1C 748070525 QTOJYPURVFOYKO-HNNXBMFYSA-N 428.514 2.557 0 50 IFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2nccn2C2CC2)CC1 1857693976 VSCUTPNEZCDWEV-NRFANRHFSA-N 428.508 2.628 0 50 IFAA O=C(CN1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1)N[C@@H](Cc1ccccc1)C(=O)O 2325730282 BVCLMURLCXVWIW-JYFHCDHNSA-N 435.568 2.787 0 50 IFAA O=C(N[C@@H]1CCCN(C(=O)c2c[nH]nc2C2CCCCC2)C1)[C@@H]1CCC2(CCOCC2)O1 2325829963 XCAUQWDWKFARRE-QUCCMNQESA-N 444.576 2.906 0 50 IFAA O=C(NCCn1cnc2c1CCCC2)c1ccc2[nH]nc(I)c2c1 2325854116 ONHIPGDJQOICHP-UHFFFAOYSA-N 435.269 2.673 0 50 IFAA CCc1cccc2c1N(C(=O)Nc1ccc3c(c1)CN([C@@H]1CCC(=O)NC1=O)C3=O)CC2 2325901509 JAWLQGQVKDMNJC-LJQANCHMSA-N 432.480 2.605 0 50 IFAA COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1 1050372 YUPPILSNWIGHFG-UHFFFAOYSA-N 428.894 2.625 0 50 IFAA C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 1076515 RJVDCGVFCFZZGV-HNNXBMFYSA-N 439.940 2.982 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 1151255 UQPBPOQTPMLDCK-JKALPCAWSA-N 438.505 2.788 0 50 IFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)C1 2807906 DXIYZNNIVGTCPF-CQSZACIVSA-N 430.452 2.560 0 50 IFAA Cc1cc(C)c2c(=O)n(CC(=O)NCCCc3ccccc3)c(=O)n(-c3ccccc3)c2n1 12446332 DVIFDFHMDBRUAT-UHFFFAOYSA-N 442.519 2.913 0 50 IFAA O=C(NCc1nnc2n1CCC2)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 12448698 AJFRNPGZCRRFBZ-UHFFFAOYSA-N 432.528 2.593 0 50 IFAA COc1ccc(-c2cc(C(=O)NCCc3ccccn3)cc(-n3cnnn3)c2)cc1OC 14975120 OQCGLOJEQDIYSQ-UHFFFAOYSA-N 430.468 2.714 0 50 IFAA CCCCc1c(O)nc(S[C@H]2CC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)nc1O 18249929 FPGIEPAUANAEKH-HNNXBMFYSA-N 445.497 2.831 0 50 IFAA CC1(C)O[C@H]2[C@@H](COC(=O)c3ccccc3)OCO[C@@H](COC(=O)c3ccccc3)[C@H]2O1 37246165 PWLCYBVEONJDMJ-UJOPUZHASA-N 442.464 2.962 0 50 IFAA CN(Cc1nccn1C)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O 299764225 QVHDYGPVLMHUDN-NRFANRHFSA-N 448.445 2.647 0 50 IFAA CCN1CCN(C(=O)c2ccc(N3CCC(N4CC[C@@H](N(CC)CC)C4)CC3)cc2)CC1 823112937 RXXJIBCAOVUJDZ-RUZDIDTESA-N 441.664 2.849 0 50 IFAA CSCC[C@H](C(=O)Nc1c2c(nn1C)CSC2)n1c(O)nc2ccccc2c1=O 888090556 IGBZGIMGVJZASH-OAHLLOKOSA-N 431.543 2.515 0 50 IFAA O=C(Nc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1)c1cccnc1OCCO 1293334652 SSEODVPXYZIWDV-UHFFFAOYSA-N 448.447 2.957 0 50 IFAA Cc1ncsc1CN1CC2(CCN(C(=O)c3ccnc(C(C)C)n3)CC2)OCCC1=O 1857726568 XNPRHNGNCBLYQP-UHFFFAOYSA-N 443.573 2.789 0 50 IFAA COc1ccc(CN2CCN(C(=O)NCc3ccc(S(C)(=O)=O)c(C)c3)CC2)cc1F 1875261418 PQDDBBRVEQTTTI-UHFFFAOYSA-N 449.548 2.574 0 50 IFAA C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCOC2(CCS(=O)(=NC(=O)Cc3ccc(F)cc3)CC2)C1 2332238237 ITJJIESRIHZJCU-OJMCZHHPSA-N 436.549 2.847 0 50 IFAA COc1ccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)c(OC)c1 8828721 OSOPWZGTSBSETQ-UHFFFAOYSA-N 430.592 2.652 0 50 IFAA COCCN1C(=O)C[C@](CC(=O)N(C)Cc2ccc(F)cc2)(c2ccccc2OC)C1=O 12098965 NIWJMWFFEYEYGP-XMMPIXPASA-N 442.487 2.526 0 50 IFAA CN(C)CC(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccn2)CC1 12453695 LKDRIWSWKRNIFZ-JHUUHBRDSA-N 434.584 2.965 0 50 IFAA COC(=O)[C@@H]1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccccc2)c1=O 12572664 BBGVCWGGFPFAAC-FQEVSTJZSA-N 439.512 2.527 0 50 IFAA O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1ccccc1 15222334 ZZWUKEMQKMEPAB-PMACEKPBSA-N 439.464 2.971 0 50 IFAA Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1 23129601 GVLBRPPCFHQYPZ-UHFFFAOYSA-N 433.556 2.691 0 50 IFAA COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c(OC)c1 38528660 MPMMHKLXZOZYSV-UHFFFAOYSA-N 426.521 2.838 0 50 IFAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3cccc4ncccc34)N=C2O)cc1OC 252551113 UBDBOJOOOOLPOT-LJQANCHMSA-N 448.479 2.948 0 50 IFAA CN(C)CC(C)(C)CNCc1cc2cc3c(cc2nc1N1CCC[C@@H](CO)C1)OCO3 828711153 JRPSPDNNTVHKIY-QGZVFWFLSA-N 428.577 2.850 0 50 IFAA CC(C)CN(C(=O)[C@H]1C[C@@H]1C(=O)N(CC(C)C)C1CCN(C)CC1)C1CCN(C)CC1 2325737723 WSPHUEUVBYCMMM-GOTSBHOMSA-N 434.669 2.780 0 50 IFAA CCOC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 1133665 OWYSEPOHFUZZSA-LICLKQGHSA-N 428.416 2.869 0 50 IFAA COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 2886445 OQOORCVHDDPVJD-OAHLLOKOSA-N 432.498 2.521 0 50 IFAA COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 8817483 JTMTYCLRTRCGOP-MRXNPFEDSA-N 449.891 2.983 0 50 IFAA COC(=O)[C@@H](NC(=O)c1cc(NC(C)=O)c2c(c1)ncn2CCc1ccccn1)C(C)C 11791011 NIRDNUNXWNYPGU-FQEVSTJZSA-N 437.500 2.560 0 50 IFAA COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CCN(C(=O)C1CCCCC1)CC2 11971204 KQIMTZSLZHJTFF-UHFFFAOYSA-N 439.512 2.574 0 50 IFAA COC(=O)c1ccc(CN2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 12041118 YOVJEISYTSMIIP-VWLOTQADSA-N 435.524 2.896 0 50 IFAA COc1cccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)c1 12458337 HQPMWOAZEGWEKF-DEOSSOPVSA-N 431.536 2.898 0 50 IFAA Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](N2CCCN(C=O)CC2)C4)cc1 12510406 ZRKCPQQDOWEMJQ-LJQANCHMSA-N 436.581 2.836 0 50 IFAA CCOC(=O)CCNC(=O)N1CCC[C@](Cc2ccc(F)cc2F)(C(=O)OCC)C1 14958380 KSMJPAMVDDGKNQ-OAQYLSRUSA-N 426.460 2.815 0 50 IFAA CN(Cc1cc(-c2ccccc2)no1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 15068817 QGNKQZIVOVETQK-SFHVURJKSA-N 430.530 2.753 0 50 IFAA CN1CCN(C(=O)c2cc(I)ccc2NC(=O)c2ccco2)CC1 16286602 BKSVSYZYXMIAMI-UHFFFAOYSA-N 439.253 2.524 0 50 IFAA O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 16649822 ZOXRJSKYKQNJNO-GJZGRUSLSA-N 435.373 2.830 0 50 IFAA CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2C=CC=NN12 253487252 HOZLIFOBQUNCMT-QXSJWSMHSA-N 430.302 2.778 0 50 IFAA C[C@@H](NC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1noc(Cc2ccccc2)n1 431650874 GDVXJZGWEJWWDP-MJGOQNOKSA-N 449.511 2.701 0 50 IFAA CC1(C)C[C@H](NC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c2ccccc21 499429315 BDCKCBAVHWXZNI-WWMYMODYSA-N 447.535 2.561 0 50 IFAA CC[C@]1(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C[C@H]2CC[C@@H]1N2CCOC 1704339348 RHILBWWBSMWSSO-MONBJTKQSA-N 426.561 2.691 0 50 IFAA O=C(c1cc2ccccc2o1)N1CC[C@H]2CCN(C(=O)C3(C(=O)NC4CC4)CC3)C[C@H]2C1 2325825004 YZZRYIXVJOWCMY-FUHWJXTLSA-N 435.524 2.802 0 50 IFAA COc1ccccc1CCNCc1c(C(=O)N2CCCN(C)CC2)nc2sccn12 11664465 KQTLVHUVCHKGEM-UHFFFAOYSA-N 427.574 2.514 0 50 IFAA C[C@H](Cn1cncn1)NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11947319 MFKOVKOTNMOEGM-QGZVFWFLSA-N 431.544 2.645 0 50 IFAA CC[C@H](O)CNC(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C1CC1 12281068 YZFROPOORPNRQD-HNNXBMFYSA-N 437.500 2.725 0 50 IFAA O=C(c1cc2ncccn2n1)N1CCC(Oc2cccc(CN3CCSCC3)c2)CC1 12454750 RSISMEHYPIIFNQ-UHFFFAOYSA-N 437.569 2.962 0 50 IFAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CN2C(=O)CSC2=O)CC1 12466363 SUOWQTVPFPZZOF-UHFFFAOYSA-N 432.542 2.877 0 50 IFAA CCCN1CCN(c2ccc(NC(=O)[C@@H](C)NC(=O)c3ccoc3)c(OCC)c2)CC1 225555814 XWHDPRXJLPPXQN-QGZVFWFLSA-N 428.533 2.967 0 50 IFAA C[C@@H]1CN(CCCNC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)C[C@@H](C)O1 228539586 XIPZRANJHIAQPA-JBYIUTFZSA-N 439.556 2.766 0 50 IFAA C[C@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)N1CCN(c2ccccc2)CC1 229666995 RQNDTFPYQVUUIS-MSYCTHLASA-N 433.618 2.512 0 50 IFAA COc1ccccc1CCC(=O)N[C@H]1CC[C@@H](n2cc(C(=O)NCC(C)C)nn2)CC1 244816852 SPQZFJAQGJJYTD-KDURUIRLSA-N 427.549 2.905 0 50 IFAA C[C@@H](NC(=O)CC[C@@H]1N=C(O)N(Cc2cccc(Cl)c2)C1=O)c1nnc2ccccn12 252483480 FCGOSRMZNCRWLG-CJNGLKHVSA-N 440.891 2.665 0 50 IFAA COc1cccc(-c2cc3n(n2)[C@H](NCCCN2CCc4ccccc4C2)CNC3=O)c1 263615646 DKHDZFBTKLPXKU-DEOSSOPVSA-N 431.540 2.839 0 50 IFAA Cc1cc(O)n2nc(CNC(=O)[C@@H]3CCCC[C@@H]3C(=O)N3c4ccccc4C[C@@H]3C)nc2n1 1875262202 UPDPUBAVLAKPFT-JQHSSLGASA-N 448.527 2.539 0 50 IFAA CCNC(=O)C[C@@H]1C(=O)N(c2ccccc2)C(=O)N1CCc1ccc(OC)c(OC)c1 5027797 YENAODGBHTUOJX-GOSISDBHSA-N 425.485 2.610 0 50 IFAA CN1CCN(c2ccc(NS(=O)(=O)c3ccc(N4CCCCC4=O)cc3)cc2)CC1 11906601 DTTQSBBSMQIDCT-UHFFFAOYSA-N 428.558 2.756 0 50 IFAA COc1ccc2c(c1)cc(C(=O)N[C@@H](C)C(=O)N1CCN(Cc3ccccc3)CC1)n2C 13692808 YONZNZMITONVBV-SFHVURJKSA-N 434.540 2.650 0 50 IFAA O=C(NCCO)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)CN(Cc2ccncc2)C1 14733726 RECHKTDCQXNBIK-ZWKOTPCHSA-N 437.462 2.726 0 50 IFAA CC(C)N1C[C@H](NCc2ccc(F)cc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 32511827 QODSCNRCCFGWAX-CTNGQTDRSA-N 445.510 2.993 0 50 IFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C2=C1C(=O)OC2 169758137 LEQNFJCMMYPRQW-FQEVSTJZSA-N 443.406 2.879 0 50 IFAA COc1cccc2c1CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)CC2 170615842 NMUIMIVOFLFPKL-UHFFFAOYSA-N 438.933 2.772 0 50 IFAA CC(C)N(CCNS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(C)C 240333504 FDRGRBVDYWWUNQ-FQEVSTJZSA-N 425.595 2.683 0 50 IFAA CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)[C@H]1OC 252513395 ZNELTWSJFPPVIB-JTNHKYCSSA-N 428.732 2.582 0 50 IFAA COc1ccc(-c2cc(=NC(=O)Cc3cccs3)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158568 VMWTUKCGSXRSAW-HNNXBMFYSA-N 431.539 2.583 0 50 IFAA COc1ccc(C(=O)NC[C@H]2[C@H]3CN(Cc4c(C)noc4C)C[C@]34CC[C@H]2O4)cc1OC 1704297160 JAWMGVCROQTSMU-CSNZXNIXSA-N 441.528 2.718 0 50 IFAA O=C(O)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC12CCOCC2 1775983684 REEUCMRMKVGUPE-SFHVURJKSA-N 434.920 2.532 0 50 IFAA O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(c2ccccc2)C1 1875328141 ALTDTFDCZTZNJO-RDPSFJRHSA-N 448.548 2.788 0 50 IFAA COC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 652352 ZXMOCSHCQAUKEX-UHFFFAOYSA-N 426.878 2.540 0 50 IFAA COc1ccc(CNCC[C@H]2CCC(=O)N2C[C@@H](O)COc2cccc(OC)c2)cc1 11782823 PEOBRYCMRMMGBF-WOJBJXKFSA-N 428.529 2.614 0 50 IFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)[C@H]1COc2c(cccc2OC)C1 11932867 OSVWEVAFMBQPMS-OAQYLSRUSA-N 429.605 2.901 0 50 IFAA COCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CCN(CC(C)(C)C)CC2)C1=O 12281404 WDIDHJBLBAXKCO-XMMPIXPASA-N 431.577 2.933 0 50 IFAA O=C(NCc1ccccc1-n1cncn1)c1cn(Cc2ccccc2C(F)(F)F)nn1 12298939 JXUPIAQGTCBURU-UHFFFAOYSA-N 427.390 2.856 0 50 IFAA C[C@@H](c1ccon1)N(C)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12454804 RGXUPAJISKQQIQ-ZDUSSCGKSA-N 441.937 2.964 0 50 IFAA O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 170637027 JLQSSKAGTRDQKL-HOTGVXAUSA-N 425.963 2.692 0 50 IFAA O=C(CCNS(=O)(=O)c1cccc(Cl)c1)N[C@@H](CO)c1cccc(Cl)c1F 225610539 PXRQFZGFLDGYIV-HNNXBMFYSA-N 435.304 2.651 0 50 IFAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 239347143 MEQUQAJVQWRJRK-VWEIPLKFSA-N 447.443 2.619 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 952967723 MHLYLSMWZYJMNY-JOCHJYFZSA-N 443.507 2.663 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)c1cccc2nc(O)[nH]c12 1875288122 OCROVTIAALDMEB-CYBMUJFWSA-N 440.467 2.990 0 50 IFAA O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 701907 XSSVSFCKPZNHNG-FCXRPNKRSA-N 434.448 2.541 0 50 IFAA CCN1C(=O)N[C@@H](c2cc(I)c(O)c(OC)c2)C(C(=O)OC)=C1C 1074539 GQNNYLZUPVQPJZ-ZDUSSCGKSA-N 446.241 2.539 0 50 IFAA CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc2c1CCCC2 1101118 GCYKCDUVYWTTJG-UHFFFAOYSA-N 448.522 2.587 0 50 IFAA O=C(O)c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(=O)O)c(O)c2)C3=O)cc1 3182823 BDJMOEVPBRWMAV-UHFFFAOYSA-N 431.356 2.820 0 50 IFAA CC[C@H](Sc1nnc(CC(=O)Nc2ccccc2OC)n1C)C(=O)NC1CCCC1 13956501 XGWAAPCALJKTAP-KRWDZBQOSA-N 431.562 2.934 0 50 IFAA O=C(CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1COC2=O)NCc1ccc(F)cc1 169757877 IJTMTPPXYPWRCY-LJQANCHMSA-N 429.835 2.673 0 50 IFAA COc1cccc2c1OC(=O)[C@H]1[C@H](C(=O)O)[C@H]3C[C@H]1[C@@H]1[C@H]3Sc3[nH]c(=O)sc3[C@@H]21 239338777 LETQKJKEXLWDSX-UOJLNMOCSA-N 431.491 2.553 0 50 IFAA CSc1nccn1-c1cccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)c1 2325706453 IXTYFKXVDBYSKS-UHFFFAOYSA-N 428.495 2.773 0 50 IFAA CC(C)(C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1)C1=CCS(=O)(=O)CC1 2325827733 ORIGNEDRWYZTKZ-UHFFFAOYSA-N 442.940 2.535 0 50 IFAA O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1C(=O)[C@@]1(C2CCCC2)CCNC1=O 2325850572 BPRFJSBHWWJUHR-KSFYIVLOSA-N 426.542 2.922 0 50 IFAA CC(C)(C)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)s1 2325896378 XJIAVDQFVXXUPK-KRWDZBQOSA-N 439.537 2.737 0 50 IFAA CCOc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 916351 PRXYCZDSDSPENN-KRWDZBQOSA-N 449.548 2.728 0 50 IFAA CS(=O)(=O)CC[C@@H](C(=O)O)N1C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2C1=O 4162587 VNSXXTNOUFQDJM-INIZCTEOSA-N 437.857 2.616 0 50 IFAA Cc1nc(N2CCC(C(=O)N3CCC(C)CC3)CC2)nc2cc(S(C)(=O)=O)ccc12 11789015 PZCVWCQCMNYKLJ-UHFFFAOYSA-N 430.574 2.817 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)N(C)Cc2cccs2)(c2ccccc2OC)C1=O 12037714 BLDGMCVZUCPPQO-HSZRJFAPSA-N 444.553 2.839 0 50 IFAA COc1ccc(CN(C)CCc2cn[nH]c2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12718993 OYGMAXVDESXENU-HSZRJFAPSA-N 438.572 2.965 0 50 IFAA Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCC(C)C 14750757 CIIMLUWEKCVVMM-UHFFFAOYSA-N 438.576 2.969 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCc1ccccc1F)C2 14751798 YFBLGIJBWRPICZ-LJQANCHMSA-N 428.552 2.840 0 50 IFAA COc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c(OC)c1C 14883581 ADYCOUFTJMAKOC-CTNGQTDRSA-N 432.561 2.821 0 50 IFAA O=C(c1nc2ccccn2c1CN1CCCC[C@H]1CO)N1CCN(C2CCCCC2)CC1 19225584 NFQSOHVIKVWLIU-NRFANRHFSA-N 439.604 2.772 0 50 IFAA Cc1ccc(-c2noc(C(=O)NCCNC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 20394196 WSCOJLFPNKIYDR-UHFFFAOYSA-N 428.876 2.932 0 50 IFAA CC[C@H](C)C(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)N(CCN(C)C)C2=O)CC1 299758537 MJQWKSUXHMBSQB-UQBPGWFLSA-N 442.604 2.756 0 50 IFAA CCC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)COC)CC2)[C@H]1OCc1cccnc1 299775418 JHANGASFWACPKZ-RPWUZVMVSA-N 437.540 2.755 0 50 IFAA Cc1nc(NCc2cc(S(N)(=O)=O)ccc2F)c2cnn(-c3cccc(F)c3)c2n1 1875301436 KNAUSUHLHGMGOH-UHFFFAOYSA-N 430.440 2.662 0 50 IFAA CC1(C)CN(C(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)Cc2ccccc21 2325897864 KXVYVHMRFCQCBL-FQEVSTJZSA-N 446.507 2.773 0 50 IFAA C[C@H]1C[C@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 1127280 QXDXQVQGJJQEFJ-STQMWFEESA-N 433.915 2.757 0 50 IFAA CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1ccccc1OCC 6578008 GSVRLSOJYQWDHX-HXUWFJFHSA-N 444.509 2.730 0 50 IFAA Cc1cc(C)n(CCC(=O)N2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)n1 12025661 COLHKCDIDSLJIM-UXHICEINSA-N 438.528 2.658 0 50 IFAA COc1ccccc1[C@]1(CC(=O)N(C)Cc2cccc3ncccc23)CC(=O)N(C)C1=O 14976005 WNELOGYLAPWHJM-VWLOTQADSA-N 431.492 2.919 0 50 IFAA Cc1nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc(-n2ccnc2)n1 67621547 JDRGQBZELBZCIC-UHFFFAOYSA-N 434.525 2.635 0 50 IFAA CCc1nc(-c2c3n(c(=O)n(Cc4cccc(Br)c4)c2=O)CCCC3)no1 169763924 XGCXYHDQJSITAX-UHFFFAOYSA-N 431.290 2.770 0 50 IFAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4cc(C)ccc4C)c2=O)CCCCC3)no1 169763967 UYWGOIJUUBZQDB-UHFFFAOYSA-N 437.500 2.604 0 50 IFAA CSCC[C@H]1NC(=O)c2cc(NC(=O)Cc3ccc4c(c3)OCC4)ccc2NC1=O 206231373 FCHRCOCLHWADEH-GOSISDBHSA-N 425.510 2.606 0 50 IFAA COc1cc2c(cc1OC)CC(=O)N(CC(=O)N(C)C[C@@H]1CCCN3CCCC[C@H]13)C=C2 253412911 SLGDLICUNGGEAF-PZJWPPBQSA-N 441.572 2.782 0 50 IFAA biogenic CC(C)Oc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)cc1CO 257371832 NJALMTKSFYJBQO-XMMPIXPASA-N 433.637 2.708 0 50 IFAA N=C(NS(=O)(=O)c1cc(C(=O)O)ccc1F)c1ncc(C(F)(F)F)cc1Cl 261494989 AKPFWQRITVYBJY-UHFFFAOYSA-N 425.747 2.895 0 50 IFAA COCCCCS(=O)(=O)N1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 476507758 ICGZPJTXCADFCY-FQEVSTJZSA-N 437.562 2.627 0 50 IFAA Cc1cc(NS(=O)(=O)c2cccc(C(=O)NCCc3nc4ccccc4n3C)c2)no1 1318727010 CNFZZGSDCTWHIF-UHFFFAOYSA-N 439.497 2.643 0 50 IFAA O=C([C@H](c1cccnc1)N1CCOCC1)N1CCCN(c2nc3ccccc3s2)CC1 1506423751 HXNOVDLAEHKHJM-NRFANRHFSA-N 437.569 2.804 0 50 IFAA CSCC(=O)N1C[C@H]2CN(c3nc(C(N)=O)cs3)C[C@]2(CCc2ccccc2)C1 1772807787 AQMOEYYGIFDVHB-KKSFZXQISA-N 430.599 2.503 0 50 IFAA C[C@@H]1CN(S(=O)(=O)c2ccsc2C(=O)NC[C@H]2CCCCN2)Cc2ccccc21 1857528662 IVIPEXALDLVKTG-NVXWUHKLSA-N 433.599 2.928 0 50 IFAA O=C(N[C@@H]1CCC[C@H]1NC(=O)[C@@]12C[C@H](c3ccccc3)[C@@H]1C2)c1nn[nH]c1C(F)(F)F 2325839155 KLIPAOTWAXKOQB-SGQRUEDASA-N 433.434 2.784 0 50 IFAA COc1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1Cl 622144 VXMKIJNTVPEUGO-UHFFFAOYSA-N 428.894 2.771 0 50 IFAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1C(F)(F)F 1063686 SNIIFDZVFCOAKL-UHFFFAOYSA-N 444.431 2.744 0 50 IFAA O=C(COc1ccccc1)NCCc1nnc2n1CCN(Cc1cc3ccccc3[nH]1)CC2 12338183 FPJBRDGHMNCPMH-UHFFFAOYSA-N 444.539 2.555 0 50 IFAA COC(=O)CNC(=O)c1cc(NC2CCCC2)cc(S(=O)(=O)Nc2ccccc2)c1 14533021 KGDMVRLBVHUPDZ-UHFFFAOYSA-N 431.514 2.745 0 50 IFAA CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H](NCC1C3CC4CC(C3)CC1C4)C2 14742441 CZSVPUVARUVHEO-UVFITVQJSA-N 439.648 2.810 0 50 IFAA COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 14744754 ZUKPOGWLLULZGF-UHFFFAOYSA-N 437.540 2.880 0 50 IFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cccc(-n3cccn3)c2)c1=O 14882123 UGFUEQXLIGXLLI-UHFFFAOYSA-N 433.512 2.829 0 50 IFAA COc1ccc(CC[C@H](C)N2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1 14976622 FGAORUZLVMDWQM-IBGZPJMESA-N 448.571 2.534 0 50 IFAA CCN(CC)[C@@H]1CCN(C(=O)c2cn(CCC(C)C)cc(C(=O)NC(C)(C)C)c2=O)C1 15003115 IHTJGSTWBARQNY-GOSISDBHSA-N 432.609 2.979 0 50 IFAA COC(=O)Cc1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19815276 AFXAQRWZJOIFGM-UHFFFAOYSA-N 427.526 2.645 0 50 IFAA COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1c(O)cc(C)n(CC(=O)O)c1=O 218424661 NDTRZNHOCSFLCR-CYBMUJFWSA-N 429.347 2.541 0 50 IFAA COc1ccc(CCC(=O)N[C@H]2CC[C@@H](n3cc(C(=O)NCC(C)C)nn3)CC2)cc1 248269300 YWVOZXCSHOFLQE-KDURUIRLSA-N 427.549 2.905 0 50 IFAA O=C(Cc1ccnc(O)c1Br)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 486421444 AYYSUPXZUKIDCE-SNVBAGLBSA-N 442.672 2.806 0 50 IFAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 670453106 XOFLJZPGGOBOLZ-KRWDZBQOSA-N 430.448 2.532 0 50 IFAA Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCN(c3ccccc3C)CC2)c1 952982506 AOGVGSPGBZYDTO-XMMPIXPASA-N 434.584 2.733 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1CCn2cncc2C1 1875288304 WKVPAALTOANBLM-HZPDHXFCSA-N 428.500 2.554 0 50 IFAA Cc1nn2cc(S(=O)(=O)N[C@@H](c3ccc(F)cc3)c3ccn(C)n3)cnc2c1Cl 2325722344 QWVRNBOSGABOSZ-KRWDZBQOSA-N 434.884 2.632 0 50 IFAA CC(C)n1[nH]c(-c2ccccc2)nc1=NC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 2325852894 XIVCHEDFNMMFDW-GFCCVEGCSA-N 430.559 2.552 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)Nc4ccccc4OC(F)F)ccc3C2=O)C(=O)N1 2325901444 GJNRXYPICUAFMV-OAHLLOKOSA-N 444.394 2.693 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 5073352 HTESIISOJUWYFZ-UHFFFAOYSA-N 429.586 2.666 0 50 IFAA O=C(Nc1ccnn1C1CCN(C(=O)c2cncs2)CC1)c1ccc2c(c1)OCO2 12076658 DSBVHANFQZXEGY-UHFFFAOYSA-N 425.470 2.798 0 50 IFAA Cc1ncc2c(c1CNS(=O)(=O)c1ccsc1)CCN(C(=O)Cc1cscn1)C2 12150488 AUPSCRFRVDCNNN-UHFFFAOYSA-N 448.595 2.514 0 50 IFAA CC(C)N(Cc1cnn(C)c1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 12200162 FUJRKYHGAYXWKD-HSZRJFAPSA-N 433.556 2.701 0 50 IFAA COCCn1c(CN2CCC[C@@H](COC)C2)cnc1S(=O)(=O)CC1CCCCC1 12445400 KEHRYWHJXRBLBQ-LJQANCHMSA-N 427.611 2.742 0 50 IFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1sccc1C)CC2 14733842 KKRCMERNAMYSCW-UHFFFAOYSA-N 428.558 2.897 0 50 IFAA COc1cc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c(Cl)cc1O 22926126 QPTPJITTXSHPBV-IBGZPJMESA-N 426.001 2.796 0 50 IFAA C[C@](O)(CNc1cc(NC[C@](C)(O)c2ccsc2)n2ncnc2n1)c1ccsc1 170603436 DLOIWHRBXODWAC-OALUTQOASA-N 430.559 2.887 0 50 IFAA COc1ccccc1CN1C(=O)N[C@H](CCC(=O)NCCc2c[nH]c3ccccc23)C1=O 206237394 IELCYUZEEGFAHS-HXUWFJFHSA-N 434.496 2.736 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3cccnc3)CC2)cc1 245255295 HDTBECVDEOUZBC-QAQDUYKDSA-N 430.530 2.763 0 50 IFAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(C(C)(C)C)nn1[C@H]1CCS(=O)(=O)C1 248020214 LRFIXQKBCKBMST-NJSLBKSFSA-N 433.530 2.707 0 50 IFAA COCCc1nsc(N2CC[C@@](c3nc(-c4ccccn4)no3)(C(F)(F)F)C2)n1 952892038 DNOJRTDLMFIOEM-MRXNPFEDSA-N 426.424 2.882 0 50 IFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)(c2ccccc2)CC1 1295282836 UEOZWYQBTPQULY-NRFANRHFSA-N 434.540 2.730 0 50 IFAA C[C@@H](CNC(=O)C(=O)Nc1cnc(-c2cccc(F)c2)nc1)N1CCc2ccccc2C1 2325729477 VPVWOQWHFXUIGT-INIZCTEOSA-N 433.487 2.784 0 50 IFAA Cn1ncc2cc(S(=O)(=O)NC(=O)c3cnc(-c4ccc(Cl)cc4)s3)cnc21 2325868780 KFEIIIYMSHIOFI-UHFFFAOYSA-N 433.902 2.864 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CC(=O)OC34CCCC4)CC1)OCC2 2356159588 IBLHHXOPZBUVEC-SFHVURJKSA-N 429.513 2.970 0 50 IFAA O=C(c1ccco1)N1CCN(C(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)CC1 814972 WACIKHRNXPQATL-QGZVFWFLSA-N 432.274 2.520 0 50 IFAA COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1cc2c(cc1Cl)OCO2 815806 OUEVTCJJWGCRMB-GFCCVEGCSA-N 435.860 2.761 0 50 IFAA COc1ccc(CCNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 957831 YCDKTLWNAPNHDO-UHFFFAOYSA-N 427.526 2.713 0 50 IFAA CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)NCCc1ccccc1 1135420 ANJHZDHYAAVFQM-UHFFFAOYSA-N 437.569 2.987 0 50 IFAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCc1c(C)noc1C 11843882 HQNHUZFRDMNLCF-JOCHJYFZSA-N 434.625 2.895 0 50 IFAA CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H](NCCc1ccc(F)cc1)C2 14533464 MXCCWXFXFBUFHK-FQEVSTJZSA-N 427.568 2.509 0 50 IFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)CCCn4cncn4)C3)C2)c1OC 15063604 GEWMKPSQRACXPC-QHCPKHFHSA-N 427.549 2.590 0 50 IFAA CCCS(=O)(=O)c1ncc(CN(C)Cc2nc3ccccc3[nH]2)n1C[C@@H]1CCCO1 15065398 QZCPDNHSIGAHKH-KRWDZBQOSA-N 431.562 2.754 0 50 IFAA COc1ncccc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2ccccc2)CC1 19939767 JOKUPHDENREBJP-QFIPXVFZSA-N 448.567 2.677 0 50 IFAA COC[C@@]1(CNC(=O)[C@H](C)NC(=O)OCc2ccccc2)CCCN1C(=O)OC(C)(C)C 253423174 UFSBZVIRXCNBFR-SBUREZEXSA-N 449.548 2.834 0 50 IFAA CN(C[C@@H]1CCCCN1C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O 299762055 RALZBRCSGHYPSD-BKMJKUGQSA-N 448.567 2.611 0 50 IFAA O=C(Cn1ccc(O)nc1=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 471109184 CHQHMPRKXYJGDU-UHFFFAOYSA-N 427.848 2.563 0 50 IFAA Cc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](NC(=O)Nc4ccc(F)cc4)C3)C2=O)cc1 745855336 YCMQKLNZXSTYED-UYAOXDASSA-N 439.491 2.845 0 50 IFAA O=C(CSc1nnnn1-c1ccccc1)Nc1ncc2c(n1)C[C@H](c1ccco1)CC2=O 2405556 FSIRURUDQQUJEB-ZDUSSCGKSA-N 447.480 2.689 0 50 IFAA aggregator O=C(C[S@@](=O)Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1 4654795 KMZQAVXSMUKBPD-FQRQDQBPSA-N 431.558 2.661 0 50 IFAA investigational CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)NCCNC(C)=O)c21 11839690 PVWVVKPWRVHMNR-UHFFFAOYSA-N 437.500 2.556 0 50 IFAA CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 11999980 VEIZUDWVFOQSRA-XMMPIXPASA-N 445.567 2.789 0 50 IFAA O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 12582586 WNPMWIDAIIIMBJ-QGZVFWFLSA-N 439.478 2.615 0 50 IFAA Cc1nc(CC(=O)N2CCc3c(cnc(C)c3CNC(=O)c3cncs3)C2)cs1 14992595 MEQXIOUUXWAPIO-UHFFFAOYSA-N 427.555 2.669 0 50 IFAA O=C(O)CCC(=O)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 18286205 DQFKMTHXGBUEDH-SFHVURJKSA-N 428.872 2.908 0 50 IFAA Cc1nonc1N1CCN(C2CCN(c3cccc(NC(=O)c4cccnc4)c3)CC2)CC1 299765442 GXLBIRXMBWKNBI-UHFFFAOYSA-N 447.543 2.816 0 50 IFAA CCc1nc(C)sc1CNC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(CC)C2 1857683821 ZMGIDYGAIYKFNA-SELNLUPBSA-N 434.650 2.843 0 50 IFAA COc1ccc(CCNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 791115 AFVLZPMTQFRRNW-AWEZNQCLSA-N 441.553 2.959 0 50 IFAA O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 9226871 FKPAWTULVQXZKU-UHFFFAOYSA-N 429.498 2.798 0 50 IFAA CN1C(=O)C[C@@](CC(=O)N2CCCN(Cc3cccs3)CC2)(c2ccccc2F)C1=O 14995272 YBZOJPGTJUVGPE-HSZRJFAPSA-N 443.544 2.638 0 50 IFAA O=C(NCCCN1CCOCC1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 19344150 PTOHLXZXVIMRJX-UHFFFAOYSA-N 439.463 2.929 0 50 IFAA O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19347267 FGJIYYNXDMRLCF-UHFFFAOYSA-N 429.476 2.873 0 50 IFAA CCOc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)CCC(=O)O)C2=O)cc1 100069118 IRRMAWSNUHVWQN-HXUWFJFHSA-N 438.480 2.653 0 50 IFAA C[C@@](O)(CNc1cc(NC[C@@](C)(O)c2ccsc2)n2ncnc2n1)c1ccsc1 170603437 DLOIWHRBXODWAC-RTBURBONSA-N 430.559 2.887 0 50 IFAA O=C(c1ccc2ncnn2c1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857701586 RBCWURKOSYBYHP-NRFANRHFSA-N 447.539 2.968 0 50 IFAA O=C(N[C@@H](Cc1ccc(-c2cn(Cc3cccs3)nn2)cc1)C(=O)O)c1cncs1 1875325385 WXTMTSSSBNDLTA-INIZCTEOSA-N 439.522 2.937 0 50 IFAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N=[S@@](C)(=O)C1CCN(C(=O)c2cccc3c2COCC3)CC1 2332238905 PFKSREVIULEUAC-XUBORLCASA-N 448.585 2.802 0 50 IFAA CN(C)S(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1ccccc1 2872459 ZGYVXWZLGGDHFN-UHFFFAOYSA-N 427.979 2.861 0 50 IFAA CCc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)cc2F)cc1 11813581 YHBNTMHKNZTMJO-QFIPXVFZSA-N 427.520 2.746 0 50 IFAA COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)n2)C1 11813911 FZAAXFAVKLFWGG-AWEZNQCLSA-N 432.908 2.713 0 50 IFAA COc1cc(CNCc2cc(C(C)C)no2)ccc1OC[C@H](O)CN1CCSCC1 12091998 ZHBNVPYDFRFDCD-GOSISDBHSA-N 435.590 2.885 0 50 IFAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cn(C)nc1C)CC2 14543092 FMBYUOUYMWRDOD-UHFFFAOYSA-N 425.533 2.556 0 50 IFAA O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 14749323 LHSRVQMMECSNON-KSZLIROESA-N 446.429 2.538 0 50 IFAA Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)[C@@H]2c2cccs2)cc1 229659629 FETRFZDGWQDFIA-RIFZZMRRSA-N 432.567 2.844 0 50 IFAA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)s3)CC2)nn1 248277436 ZAKCPWHROZNPHK-BETUJISGSA-N 445.998 2.937 0 50 IFAA Cc1cc(O)c([C@H](CC(=O)NCCc2ccc(O)cc2)c2ccc3c(c2)OCO3)c(=O)o1 253471412 RIVWUUMVMSMADG-GOSISDBHSA-N 437.448 2.969 0 50 IFAA C[C@@H](CCc1ccccc1)NC(=O)Cn1ccn2nc(-c3cccc(F)c3)c(CO)c2c1=O 263619395 YNPSNKDCOKDQBT-KRWDZBQOSA-N 448.498 2.932 0 50 IFAA COC(=O)Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 328589948 WUOLGXRQCJODAG-GASCZTMLSA-N 434.514 2.914 0 50 IFAA Cn1nccc1CCC(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857702985 LBIKMUAUUYILER-QFIPXVFZSA-N 438.572 2.978 0 50 IFAA O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCc1nc(-c2cccnc2)n[nH]1 1875264497 XHMHFZOVHKVTGQ-FQEVSTJZSA-N 442.479 2.750 0 50 IFAA CCCCN1C(=O)[C@](NC(=O)c2ccccc2OC)(C(F)(F)F)C(C(=O)OC)=C1C 2875723 ATEZTCSAKXQZNA-IBGZPJMESA-N 428.407 2.815 0 50 IFAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)N(C)C[C@H]3COCCO3)c2C2CC2)n1 12023330 GAKDELTZZDVEEW-KRWDZBQOSA-N 449.511 2.703 0 50 IFAA NS(=O)(=O)c1cccc(NC(=O)c2cc(I)ccc2Cl)c1 15746421 XZAQSZVXLYKDOM-UHFFFAOYSA-N 436.658 2.844 0 50 IFAA Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC1(N3CCOCC3)CCCCCC1)C2 23250376 FLXZMIMCNITNMR-HXUWFJFHSA-N 443.636 2.528 0 50 IFAA COc1ccc(C(=O)CCC(=O)NC[C@@H]2CCC3(CCN(C(=O)C4CC4)CC3)O2)cc1 299768466 VKVVLYAIFRITDK-FQEVSTJZSA-N 428.529 2.725 0 50 IFAA O=C([C@H]1CCCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)C1)N1CCCCC1 299801619 ZRKRQHOCURHKHL-ZWKOTPCHSA-N 425.529 2.691 0 50 IFAA O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)C1CCN(c2ccc3nnnn3n2)CC1 427797016 AJIDHLWOXHGDBV-UHFFFAOYSA-N 439.483 2.918 0 50 IFAA Cc1ccc(CN2C[C@@H](C(=O)N3CCCN(C(=O)c4ccsc4)CC3)CC2=O)cc1 490700936 QCHIAAOKHURCPD-FQEVSTJZSA-N 425.554 2.780 0 50 IFAA O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCN2C(=O)OCC[C@@H]2C1 764477158 FAYSHXVTAPGKHG-OAHLLOKOSA-N 427.461 2.802 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(-n3nccn3)cc2)cc1 1875254468 XMNOSWQEFQZYRM-FQEVSTJZSA-N 425.514 2.758 0 50 IFAA CS(=O)(=O)N1C[C@@H](c2nc(-c3cc(OCC(F)F)ccn3)no2)Oc2ccccc21 1875260468 CMNNRLLNGIPJGH-HNNXBMFYSA-N 438.412 2.675 0 50 IFAA Cc1c(-c2ccncc2)[nH][nH]c1=NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 2325710836 STVBAAWHECAWSA-AWEZNQCLSA-N 440.301 2.956 0 50 IFAA CC(C)(C)C(=O)N1CC[C@H](CN=c2cc(NC[C@H]3CCN(C(=O)C(C)(C)C)C3)nc[nH]2)C1 2325736500 CGIQYAAUNYAPJR-QZTJIDSGSA-N 444.624 2.512 0 50 IFAA CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1cnc(-c2ccc(Br)cc2)s1 2325879370 RZVUADDCRWYVQX-UHFFFAOYSA-N 444.376 2.991 0 50 IFAA Cn1c(OCc2cccnc2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C 1127832 SQTYDUXYBVGGFI-UHFFFAOYSA-N 446.294 2.763 0 50 IFAA O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCN(c2ccccc2)CC1 2497557 MQHZMMQJMHOWIX-UHFFFAOYSA-N 431.533 2.575 0 50 IFAA C[C@@H](NC(=O)CSc1nnc(CNC(=O)c2ccc(F)cc2)n1C)c1ccccc1 2861335 SFAZQGRRNKTUIF-CQSZACIVSA-N 427.505 2.854 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(OC)ccc3OC)C2)cc1 2886513 BIXJDBCDTLXFKP-HNNXBMFYSA-N 434.514 2.752 0 50 IFAA CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3)CC2)cc1 4998464 QNGRWGKZZDXRSQ-UHFFFAOYSA-N 429.586 2.902 0 50 IFAA CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC 6632008 DNMISKGVNCVSCQ-TYCQWZJGSA-N 442.512 2.934 0 50 IFAA COc1cc(C[C@@]2(CCC(=O)NCc3cn4ccsc4n3)CCC(=O)N2)ccc1F 11784631 FEFXHFULWSQTHP-OAQYLSRUSA-N 430.505 2.831 0 50 IFAA COc1cc(CN(Cc2cnn(C)c2)C(C)C)ccc1OC[C@@H](O)CN1CCSCC1 12465643 IJXIHXIVZDHBOU-NRFANRHFSA-N 448.633 2.628 0 50 IFAA CN(C)CCCN1C(=O)N(CCc2ccccc2)C2(CCN([C@@H]3CCSC3)CC2)C1=O 14748942 WACWFIHMQPBURD-OAQYLSRUSA-N 444.645 2.785 0 50 IFAA COCCNC(=O)[C@@H]1C[C@@H](NCc2cc(C)c(OC)cc2C)CN1Cc1ccccc1 19853148 WJRBIHQAGIEDIJ-PKTZIBPZSA-N 425.573 2.807 0 50 IFAA COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 170594153 RTXKBEWYXOBFMZ-DNVCBOLYSA-N 425.932 2.712 0 50 IFAA CCOc1ccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 239310420 IKBUZJDGSJVNQY-UXJCHEOYSA-N 434.414 2.991 0 50 IFAA Cc1c(C(=O)N[C@@H]2CCCN(c3ccnn3C)C2=O)cnn1-c1cccc(C(F)(F)F)c1 481834597 JSWPTHGPIGLIMZ-QGZVFWFLSA-N 446.433 2.858 0 50 IFAA O=C(O)[C@@]1(CC2CC2)CN(c2nnnn2-c2ccc(Oc3ccccc3)cc2)CC[C@@H]1O 1704302424 KIWVKNYHXXISIB-REWPJTCUSA-N 435.484 2.897 0 50 IFAA O=C(c1cncs1)N1CCC[C@@](Cc2cn(CCc3ccccc3)nn2)(C(=O)O)C1 1875324521 BSAMLSPGTOKUSY-NRFANRHFSA-N 425.514 2.527 0 50 IFAA O=C(O)c1cc(-c2cn(C[C@@H]3CCN(C(=O)[C@@H]4CCc5ccccc5C4)C3)nn2)ccn1 1875355503 LNTIQJRXMHVXGO-OXQOHEQNSA-N 431.496 2.692 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8826748 BLDNSYRSCINTMS-XYSGSMRZSA-N 440.546 2.868 0 50 IFAA Cc1c(C)n(-c2cccnc2)c2ncn3nc(CCN4C(=O)c5ccccc5C4=O)nc3c12 9061095 MPLIYJLPMOOGME-UHFFFAOYSA-N 437.463 2.919 0 50 IFAA COCc1c(C(=O)N(C)[C@H]2CCOC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 12121753 UQFXTXLCPQWBFW-SFHVURJKSA-N 433.512 2.825 0 50 IFAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCc1ccccc1Cl 12703593 BCHVUSUNOOPZPD-HXUWFJFHSA-N 429.948 2.788 0 50 IFAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NCc4cc5ccccc5s4)CN3C2=O)cc1 14747760 KGKKGLNWYKOAQB-YYWHXJBOSA-N 435.549 2.710 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)N(C)Cc2ccsc2)(c2ccccc2OC)C1=O 14880611 DJAHCDUYDTUWKI-HSZRJFAPSA-N 444.553 2.839 0 50 IFAA O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(-n2cnnc2)ccc1Cl 16399572 NZMWGTZNWKOTFH-UHFFFAOYSA-N 431.905 2.958 0 50 IFAA CC(C)n1cc(C(=O)NC(C)(C)C)c(=O)c(C(=O)N2CCN(Cc3cccs3)CC2)c1 20992883 SBGOVAGHXBSEJE-UHFFFAOYSA-N 444.601 2.977 0 50 IFAA COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc4[nH]ccc34)C2=O)cc1OC 170625576 QHGLXDHQPHFLRC-SFHVURJKSA-N 436.468 2.677 0 50 IFAA biogenic Cc1ccc(C(=O)Nc2cccnc2N2CCCCC2)cc1S(=O)(=O)N1CCOCC1 170651433 YJEMQCSBLCGGMG-UHFFFAOYSA-N 444.557 2.654 0 50 IFAA O=C(N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O)[C@H]1CCCN(C(=O)c2ccccc2)C1 225484480 VBSGCWJXXCJWGM-HRAATJIYSA-N 437.471 2.971 0 50 IFAA O=C(NNc1ncnc2ccccc12)c1ccc(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 252536605 IYKPGKFEHVDRGM-ZCLUNYJNSA-N 439.475 2.694 0 50 IFAA C[C@@]1(c2ccc(CNC(=O)N[C@@H]3c4ccccc4CC34CCOCC4)cc2)NC(=O)NC1=O 460360580 DUPMGRGZLPCZSJ-YKSBVNFPSA-N 448.523 2.635 0 50 IFAA O=C1NC2(CCCC2)C(=O)N1CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 741781360 SQWGAWDEKSUWSH-UHFFFAOYSA-N 440.466 2.567 0 50 IFAA O=C(c1ccc(Cl)cc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857712967 PFCKWVTUWPHBRY-UHFFFAOYSA-N 428.920 2.792 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCC(c5cccs5)CC4)ccc3C2=O)C(=O)N1 2325896408 XZZPNKYNKSUPHL-GOSISDBHSA-N 437.521 2.529 0 50 IFAA CC[C@H](OC)C(=O)N[C@H]1CCOC2(CCS(=O)(=NC(=O)c3ccoc3Cl)CC2)C1 2332238196 FOGTYKAMHJELJS-RWRBMDSRSA-N 446.953 2.794 0 50 IFAA CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1 2395912 MWCSXTGSSKNQJY-UHFFFAOYSA-N 431.540 2.699 0 50 IFAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)[C@H]1CCCN(C)C1 12201029 HOOILTKWHQAEJZ-VWLOTQADSA-N 440.676 2.988 0 50 IFAA COc1ccccc1N1CCN([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 19536925 HIBKDYUUKIDCLO-SFHVURJKSA-N 444.329 2.912 0 50 IFAA O=C1CN(C(=O)CN2CCOCC2)[C@H](c2ccccc2)c2cc(Br)ccc2N1 19772694 QRSFJETWRUTZDF-OAQYLSRUSA-N 444.329 2.651 0 50 IFAA CCOc1ccccc1NC(=O)[C@@H]1CC(=O)NC(Nc2nc(C)c3cc(C)ccc3n2)=N1 19866193 YJGGFQVJYUONEI-SFHVURJKSA-N 432.484 2.940 0 50 IFAA CCOC(=O)C[C@@H]1COCCN1Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 20149120 NDWUVMBPBUDIPN-QGZVFWFLSA-N 448.589 2.956 0 50 IFAA CC(=O)c1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc12 32100868 FZACYETXRDPPSW-UHFFFAOYSA-N 443.500 2.516 0 50 IFAA COCCCNC(=O)[C@H](O[C@@H](C(=O)NCCCOC)c1ccccc1)c1ccccc1 71769663 DSGZECHHOYTDCO-FGZHOGPDSA-N 428.529 2.791 0 50 IFAA COc1ccc(NC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)cc1 169758023 ZZEMBFMTPVYYNH-LJQANCHMSA-N 427.844 2.865 0 50 IFAA COc1ccc(S(=O)(=O)N2CN(C[C@H]3CCCO3)c3nc4ccccc4nc32)cc1 245309078 AOIJDWGTAJGIJB-MRXNPFEDSA-N 426.498 2.790 0 50 IFAA O=C(NCC(F)F)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 263619640 ZTBBKGHYEHRKBK-KRWDZBQOSA-N 436.434 2.527 0 50 IFAA Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1 479272774 DFGVHRQGVBKWGE-IBGZPJMESA-N 444.597 2.792 0 50 IFAA O=C(NCC1C2CC3CC(C2)CC1C3)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 481503536 GLVFVHCSBLQIIO-UHFFFAOYSA-N 441.601 2.656 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)C[C@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 9076159 PJSMLXNHQZCQEP-QFIPXVFZSA-N 435.524 2.749 0 50 IFAA CC(C)CC[C@]1(C2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)NC(=O)NC1=O 11783020 GXVCTFLEBZXSSU-XMMPIXPASA-N 440.544 2.680 0 50 IFAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 12754447 DHUBCYCSNVQPNQ-HXUWFJFHSA-N 429.561 2.972 0 50 IFAA COc1cccc(OC(=O)C[C@H]2CS(=O)(=O)C[C@@H]2CC(=O)Oc2cccc(OC)c2)c1 22341545 CYGXDVCZKDLEOB-HOTGVXAUSA-N 448.493 2.656 0 50 IFAA CCN(CC)C(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 55190575 MYIJCHMIRGSJHK-RHSMWYFYSA-N 436.350 2.661 0 50 IFAA O=C(O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 136206690 RVSOKZITIXHEOI-PIQGMWHKSA-N 443.091 2.667 0 50 IFAA COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)O)cc2)o1)c1c(O)c(C(=O)OC)c[nH]c1=O 218081779 KRWAEHITSVAJFN-ZDUSSCGKSA-N 441.392 2.520 0 50 IFAA biogenic COC(=O)c1cn(-c2ccc3c(c2)C(=O)N(C)c2cccnc2S3)cc2c(=O)[nH]nc1-2 253394425 ACMZSJUBMYFCPP-UHFFFAOYSA-N 433.449 2.588 0 50 IFAA CN1CCCC[C@@H]1C(=O)NC[C@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 299762099 RHVQUPIUFCVEJG-WIYYLYMNSA-N 428.554 2.661 0 50 IFAA CC(C)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O)c1nnc2ccccn12 409414880 QMRVFTLYUYCNQY-QZTJIDSGSA-N 434.500 2.838 0 50 IFAA C[C@H](CCS(=O)(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 1857533482 IFQRFKVUXUJKEV-XYDHHUAKSA-N 444.634 2.862 0 50 IFAA Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1C[C@H]2COC[C@H](CN2C)C1 1875242594 WVVUFOOTQXDYMT-HIFRSBDPSA-N 445.463 2.620 0 50 IFAA CCCn1cc(S(=O)(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c(C)n1 1875345613 DECWPPNDLZPHDU-UHFFFAOYSA-N 437.566 2.522 0 50 IFAA Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)c1 2325701906 ZLAGDLGDBXKQTC-FGZHOGPDSA-N 436.604 2.869 0 50 IFAA C=CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)C1 2325889284 IKTRHJGGHOKRIU-HNNXBMFYSA-N 438.450 2.806 0 50 IFAA COc1ccccc1CNC(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S)nc2c1 3631957 MZWYQSDLUDIBNG-INIZCTEOSA-N 425.510 2.803 0 50 IFAA CC(C)c1cc(C(=O)N2CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC2)on1 12464006 IHXIERKSFWBANW-UHFFFAOYSA-N 427.501 2.954 0 50 IFAA CCOC(=O)c1nn(CCc2ccc(OC)cc2)c2c1CN(Cc1cn(C)nc1C)CC2 14745771 PTPFXBQCZHOXGB-UHFFFAOYSA-N 437.544 2.911 0 50 IFAA O=C(c1cc(-c2cccs2)n[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 15680574 UPNJWTYXOAVEJI-UHFFFAOYSA-N 436.946 2.938 0 50 IFAA O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 19839971 IZZSPNLMJVEZSB-NRFANRHFSA-N 427.589 2.576 0 50 IFAA COC[C@H]1CCCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)C1 76910777 AYBJEWWPEGSUAW-KRWDZBQOSA-N 430.545 2.974 0 50 IFAA Cc1cccc([C@@H](CNS(=O)(=O)c2cnn(-c3ccccc3)c2)N2CCOCC2)c1 109353282 ZBUNUWUDCIVCHY-JOCHJYFZSA-N 426.542 2.533 0 50 IFAA CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2nc3nc(C)cc(C)n3n2)CC1 109983694 IKYVINWPOPTACM-MRXNPFEDSA-N 425.512 2.513 0 50 IFAA COc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)NCCc2c[nH]c4ccccc24)[C@H]3C1=O 252346851 IKGLSQKPYQOTPN-DUOVIKOCSA-N 443.503 2.822 0 50 IFAA CC(C)n1c(CCNC(=O)C[C@H]2N=C(O)N(Cc3ccccc3)C2=O)nc2ccccc21 252528079 DZVWXAMPLJRZIP-LJQANCHMSA-N 433.512 2.991 0 50 IFAA COc1ccccc1[C@]1(CC(=O)N2CCC[C@H](OC)C2)CC(=O)N(C2CCCC2)C1=O 299774872 JJQNKLJWJFZUPX-UUOWRZLLSA-N 428.529 2.662 0 50 IFAA CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccccc1F 780918 YIXOHEWQHGWSHS-UHFFFAOYSA-N 438.492 2.870 0 50 IFAA O=C(OCc1ccccc1)C1=NN[C@]2(CC(=O)N(c3cccc(Br)c3)C2=O)C1 1431844 QKIZSVCYQHUAQB-FQEVSTJZSA-N 442.269 2.544 0 50 IFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697712 JKQLXRXEZAGIPQ-UHFFFAOYSA-N 430.921 2.780 0 50 IFAA COc1ccccc1CNCc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1 12315812 MJMQSHFNXXVEOG-FQEVSTJZSA-N 432.586 2.782 0 50 IFAA CC[C@H](C)[C@H](NC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCCC2)c1=O)C(=O)OC 15001894 QVMQPKZOQVUFRZ-JXFKEZNVSA-N 445.560 2.907 0 50 IFAA COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c(C)c1C 20912940 RKTYCODTUIGACX-GOSISDBHSA-N 434.544 2.848 0 50 IFAA CCOc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1 20919223 GIKDRCKFJJMLFF-KNQAVFIVSA-N 441.576 2.585 0 50 IFAA O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(F)cc1 239038792 DYBDTIJRCPYMPG-GXRBAXLWSA-N 435.451 2.976 0 50 IFAA COc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)cc1OC 239377993 OKIJXRJWFMQZJO-GLHSZLCASA-N 436.501 2.647 0 50 IFAA C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H]1c1cccs1 252445398 NOOGSQKYXXLPNB-LPHOPBHVSA-N 449.598 2.933 0 50 IFAA COc1ccc(-c2nnc(CN3CCN(C(=O)COc4cc(C)cc(C)c4)CC3)n2C)cc1 252500777 TVGJLGBVSIIHAA-UHFFFAOYSA-N 449.555 2.831 0 50 IFAA COc1ccccc1[C@@]1(CC(=O)N2CCC[C@H](OC)C2)CC(=O)N(C2CCCC2)C1=O 299774866 JJQNKLJWJFZUPX-MHECFPHRSA-N 428.529 2.662 0 50 IFAA COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1I 1063481 NPZKSNJJOOZFPB-UHFFFAOYSA-N 447.250 2.507 0 50 IFAA Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](c4ccccc4)CC3=O)c2)no1 1440673 BMNKUXTUJLSGSR-KRWDZBQOSA-N 425.466 2.940 0 50 IFAA COc1ccc(Cl)cc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C 2861853 WLMQTIYQLGDXNY-UHFFFAOYSA-N 435.893 2.731 0 50 IFAA COc1ccc(CNCc2cc(NC(C)=O)cc(C(=O)N3CCN(C)CC3)c2)c(C)c1C 12245428 MLHJXYWNMYDEDZ-UHFFFAOYSA-N 438.572 2.948 0 50 IFAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 12307558 BNMNEGJFRBIYKI-HXUWFJFHSA-N 428.577 2.504 0 50 IFAA O=S(=O)(c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1)N1CCOCC1 16238173 AQFCRJGTGHLAPU-UHFFFAOYSA-N 439.990 2.890 0 50 IFAA COc1ccc(OC)c(NC(=S)N[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)c1 19799190 JBUULKPMQNJYGW-NSHDSACASA-N 429.757 2.958 0 50 IFAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccccc4CC)c2=O)CCCCC3)no1 169763956 ZDFAWVGNDFDRIT-UHFFFAOYSA-N 437.500 2.550 0 50 IFAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 252518193 AHGLDBDJWXRFGQ-JOCHJYFZSA-N 434.540 2.872 0 50 IFAA O=C(NCc1ccccc1)N1CCN(Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 263617903 QGQBNSOAKZVOIJ-HSZRJFAPSA-N 432.528 2.577 0 50 IFAA O=C(Nc1cccc(-n2ccnc2S)c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 747338166 HYUHQMQFOLESPT-UHFFFAOYSA-N 442.566 2.644 0 50 IFAA COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089171 MMNWZFYQSGQXAE-SFHVURJKSA-N 441.484 2.540 0 50 IFAA Cc1cncc(CC(=O)N2CC[C@H]([C@H]3CCCN3C(=O)Cc3ccc4c[nH]nc4c3)C2)c1 1875359911 SRRYKVLELJMFSE-JTHBVZDNSA-N 431.540 2.891 0 50 IFAA O=C(Nc1ncc(-c2ccccc2)s1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819312 ACKDCUPDJDFQCG-UHFFFAOYSA-N 438.484 2.872 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@H]1c1ccccc1OC(C)C 6242381 TXABUOHZURGFPX-FNGUVFISSA-N 449.532 2.590 0 50 IFAA Cn1nc(C(=O)NC[C@@H]2Cc3cc(-c4ccccn4)cc(F)c3O2)c2ccccc2c1=O 11912456 WUAICOVGIZUOHJ-INIZCTEOSA-N 430.439 2.868 0 50 IFAA COc1ccc(CCNc2ncnc3sc(C(=O)NCCN(C)C)c(C)c23)cc1OC 12155347 OBCKNWDPONLHGF-UHFFFAOYSA-N 443.573 2.963 0 50 IFAA O=C(C[C@@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CCC[C@@H](CO)C1 12245766 ZGHMUISCBYQPBB-NLFFAJNJSA-N 426.557 2.885 0 50 IFAA O=C(C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCc2[nH]ncc2C1 12439451 WKOSPPMUXYQEES-UHFFFAOYSA-N 434.544 2.817 0 50 IFAA COCc1ccc(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@H](OCc3ccccc3)C2)o1 14532610 OMRXAXDPYFNBET-QFIPXVFZSA-N 449.507 2.891 0 50 IFAA CCc1noc(C)c1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 15064879 PRVDPQUEGKQMTF-IBGZPJMESA-N 439.560 2.922 0 50 IFAA COc1ccc(C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1OC 19832209 CKXIJUARHLUEIU-UHFFFAOYSA-N 430.501 2.688 0 50 IFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 21794583 RMPWIKWAJCFNOT-UHFFFAOYSA-N 436.604 2.797 0 50 IFAA CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)c(Cl)c2)cc1 38347206 GEFDXUZHLNJUMR-HNNXBMFYSA-N 433.357 2.937 0 50 IFAA in-vitro O=c1nc2n(nc1-c1ccccc1)[C@@]1(CCCS(=O)(=O)C1)Nc1ccc(Cl)cc1-2 170620090 FVJFHWGJBCPOLL-HXUWFJFHSA-N 428.901 2.913 0 50 IFAA C[C@@]1(c2cccc(Br)c2)NC(=O)N(c2ccc3c(c2)S(=O)(=O)CC3)C1=O 772079604 MUKPBCQJODXKEW-SFHVURJKSA-N 435.299 2.751 0 50 IFAA COC(=O)c1ccc(NC(=O)[C@@H](CCSC)n2c(O)nc3ccccc3c2=O)cc1 888089926 QCUODUCNQHJOPX-QGZVFWFLSA-N 427.482 2.822 0 50 IFAA COC(=O)c1cc(C(=O)OC)n(CCN2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)n1 1857738964 GSJQBDDWQKAMOC-VQTJNVASSA-N 429.517 2.945 0 50 IFAA COc1ccc([C@@H](O)CNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cc1OC 1875259860 WBRCPRSLKLWAIV-FQEVSTJZSA-N 447.495 2.971 0 50 IFAA O=C(CCn1ccccc1=O)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 1875355049 YHSOEAFVXVCOLU-UHFFFAOYSA-N 441.535 2.985 0 50 IFAA Cc1ccc([C@H](NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c2ccccc2Cl)cc1 2325749859 BZZXXBDQLJVJDN-YWZLYKJASA-N 446.960 2.955 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(OC)ccc3OC)C2)cc1 2886512 BIXJDBCDTLXFKP-OAHLLOKOSA-N 434.514 2.752 0 50 IFAA CCOC(=O)CN(C)C(=O)c1c(CCc2ccccc2)n(C[C@H]2CCCO2)c(C)cc1=O 12053476 UHNRFIHFGVRHLK-HXUWFJFHSA-N 440.540 2.756 0 50 IFAA COc1ccc([C@]2(CC(=O)NCCCOC(C)C)CC(=O)N(C3CCCC3)C2=O)cc1 12098762 NIABCSFVEBRAFL-DEOSSOPVSA-N 430.545 2.956 0 50 IFAA COc1ccccc1CNCc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 12315813 MJMQSHFNXXVEOG-HXUWFJFHSA-N 432.586 2.782 0 50 IFAA O=C(NCCc1cn2cccnc2n1)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12317424 LIJVYLZEWKRQKO-KRWDZBQOSA-N 425.920 2.523 0 50 IFAA CC(C)C[C@H]1C(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)C[C@@H]2C(=O)N1C 14537191 BSUFPVOVPZFPOP-RBUKOAKNSA-N 430.549 2.849 0 50 IFAA COc1ccc(-c2cc(C(=O)N3CCSCC3)cc(-n3cnnn3)c2)c(OC)c1OC 14954055 PDDBMKIWDGAOKX-UHFFFAOYSA-N 441.513 2.544 0 50 IFAA COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1I 16425294 PYYPCKPDXMTGJT-UHFFFAOYSA-N 447.250 2.872 0 50 IFAA CN(CCOc1ccccc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 20449158 VYQGONVCYLANDZ-OAQYLSRUSA-N 433.574 2.757 0 50 IFAA COc1ccc(OC)c(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)c1 54274390 OCXYOSKGRDDAMG-UHFFFAOYSA-N 439.495 2.676 0 50 IFAA CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1coc(-c2ccccc2)n1 170639034 OXTFKSPNVGMMEG-IBGZPJMESA-N 438.509 2.721 0 50 IFAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1CCc1ccccc1 227064315 CJPJSMBXTYOCDO-VKDGWMQASA-N 435.911 2.809 0 50 IFAA C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCSC[C@H]3CCO)ccc2Cl)C1 242317024 YWQPFIFRIUSSQQ-GDBMZVCRSA-N 447.022 2.701 0 50 IFAA Cc1ccc(-c2nn3ccn(Cc4cc(=O)n5cc(Cl)ccc5n4)c(=O)c3c2CO)cc1 263618501 UCPONWZOSTYQLC-UHFFFAOYSA-N 447.882 2.673 0 50 IFAA O=C(CS(=O)(=O)C[C@@H]1CCCO1)Nc1nc2ccc(OCC(F)(F)F)cc2s1 1875253879 PAIVAIPUJMFQBD-NSHDSACASA-N 438.449 2.770 0 50 IFAA CCS(=O)(=O)N1CCC(NC(=O)NCc2ccc(C(F)(F)F)cc2Cl)CC1 1875342560 XPUZIZOFFLIYDF-UHFFFAOYSA-N 427.876 2.972 0 50 IFAA O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 980810 VFNPGGZQYMOODS-UHFFFAOYSA-N 438.347 2.561 0 50 IFAA COc1ccccc1NC(=O)COc1c(I)cc(CO)cc1OC 2554786 VPMFGWOJOJCZRK-UHFFFAOYSA-N 443.237 2.818 0 50 IFAA O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N1CCN(c2ncccn2)CC1 2774798 VMFBYGMXDSKSMZ-UHFFFAOYSA-N 443.389 2.761 0 50 IFAA CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc(F)c3)C2)c1 9381015 ZZFHNSDSCNPPRD-SFHVURJKSA-N 425.507 2.698 0 50 IFAA CC1CCN(Cc2nnnn2CCCC(=O)N[C@@H](c2ccccn2)C(F)(F)F)CC1 12298493 DMRNRZBZVWNVHF-SFHVURJKSA-N 425.459 2.500 0 50 IFAA COc1cccc(CCNc2ncnc3sc(C(=O)NC[C@@H]4COCCO4)c(C)c23)c1 12451614 ZYEUDPLSLBRJAO-QGZVFWFLSA-N 442.541 2.808 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3ccc(C)c(F)c3)cc2OC)CC1 19839734 ICTDMMGNJOPRTF-QFIPXVFZSA-N 445.579 2.810 0 50 IFAA COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 19891990 SEVVRRRLBPTNBY-SFTDATJTSA-N 442.512 2.934 0 50 IFAA O=C(CC[C@H]1CCCN(C(=O)CCc2cnccn2)C1)N1CCN(Cc2ccccc2)CC1 20539633 DYLWYXUYHXJMBB-HSZRJFAPSA-N 449.599 2.772 0 50 IFAA Cc1ccccc1-c1cc(NC(=O)C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)n(C)n1 427384151 WOLGNLFMOJKIEU-MRXNPFEDSA-N 437.475 2.938 0 50 IFAA COC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N(C)Cc2ccsc2)CC1 1875255840 MECRYJWXEYWAAK-FQEVSTJZSA-N 443.569 2.912 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1=O 2325819354 BYKIQWVUHQINDN-OXJNMPFZSA-N 426.538 2.980 0 50 IFAA COC(=O)CCC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 11843243 PRRTWEWHQIQPBD-QHCPKHFHSA-N 428.573 2.827 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)N(C)C2CCCCC2)(c2ccccc2OC)C1=O 12165259 RLSGNRYDRHMZPH-XMMPIXPASA-N 430.545 2.910 0 50 IFAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CN(C)Cc2ccc(F)cc2)c1 12455502 LNZLVUOBUIMFHK-JOCHJYFZSA-N 432.536 2.663 0 50 IFAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)CC[C@]2(Cc3cccs3)CCC(=O)N2)C1 19143337 XFOYFPYXXVFSJY-ZHRRBRCNSA-N 428.558 2.575 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2-c1cccc(OC)c1 20345203 XRHTVKVNMJMCKT-UHFFFAOYSA-N 449.438 2.838 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1 22876237 JGSSJLAZAZTHQB-CJHOVAGGSA-N 447.535 2.826 0 50 IFAA O=C(COc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1)NC1CC1 1309279864 ULPBAHNEMDYTGA-UHFFFAOYSA-N 447.944 3.000 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCc2ccc(OC)cc2)C1 1857684606 UUGBXYRSSUCDNW-MVERNJQCSA-N 443.632 2.957 0 50 IFAA Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1 2865365 BEBCLAQRIJCXOK-KRWDZBQOSA-N 427.526 2.771 0 50 IFAA Cn1c(=O)[nH]c(=O)c2c1nc(SCCN1CCCCC1)n2CCCc1ccccc1 4103115 FKZHXROWVQMDAU-UHFFFAOYSA-N 427.574 2.634 0 50 IFAA COC(=O)CCC(=O)N(CCN(C(=O)CCC(=O)OC)c1ccccc1)c1ccccc1 6143135 WDOHSMCOHNNXAW-UHFFFAOYSA-N 440.496 2.959 0 50 IFAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)[C@H](C)NC(C)=O)O3)c1 11813614 KAFNQUVLQFHWAI-KPZWWZAWSA-N 430.888 2.738 0 50 IFAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCc1cc2cc(F)ccc2[nH]1 11815109 FQMLZQVEPYXATR-NRFANRHFSA-N 438.503 2.713 0 50 IFAA CC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2OC)CC(=O)N(CCCOC)C1=O 12000662 YEQYZZPRZUNBOR-HOYKHHGWSA-N 430.545 2.910 0 50 IFAA O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NC1Cc3ccccc3C1)C2)c1cccnc1 12100173 LWTAVTVFLDMYLQ-INIZCTEOSA-N 432.505 2.819 0 50 IFAA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cc(OC)c(OC)cc3OC)C2)nn1 14989584 XZYVEUHQQHTEGC-KRWDZBQOSA-N 431.537 2.623 0 50 IFAA CN1C(=O)C[C@@H](NC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)C1=O 225523551 WHFPWMYWFXUOHU-OAHLLOKOSA-N 434.374 2.837 0 50 IFAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@@]4(C)[C@@H]3C(=O)C[C@@]21C)OCCO5 257359277 ZIQSUIGZEYCTRR-VNDTUPJBSA-N 446.540 2.735 0 50 IFAA COCCCOCCC(=O)N1CCOC[C@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 952892548 IBDMZLCPUVWQSN-NRFANRHFSA-N 431.533 2.841 0 50 IFAA Cc1nc2ccc(Cl)cn2c1NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1301562196 UEZVAMBNRNZSSW-DOTOQJQBSA-N 430.867 2.578 0 50 IFAA C[C@@H](Cc1ccncc1)C(=O)N1CCC(Cc2cn(Cc3ccoc3C(=O)O)nn2)CC1 1875356086 SSAPXXBYOWVNQG-INIZCTEOSA-N 437.500 2.673 0 50 IFAA C[C@](NC(=O)CCn1nnc2ccccc2c1=O)(C(=O)O)c1cc(Cl)cc(Cl)c1 2325851498 AGQMHOAZOBSMIE-LJQANCHMSA-N 435.267 2.605 0 50 IFAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 1119397 MUZQPUGLGRMIGA-OAHLLOKOSA-N 433.530 2.628 0 50 IFAA COC(=O)C1CCN(Cc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)CC1 12053017 OEVIGGXVUBRPLC-HSZRJFAPSA-N 426.557 2.943 0 50 IFAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 14731692 ZZMUUKHJUJLGNN-UHFFFAOYSA-N 438.528 2.623 0 50 IFAA CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)O)CC2)cc1 17100612 OQSZMBDQTJERRX-RBUKOAKNSA-N 436.574 2.708 0 50 IFAA Cc1ccccc1[C@@]1(CC(=O)N2CCN(Cc3ccccc3)CC2)CC(=O)N(C2CC2)C1=O 19740292 WZWBQWYZHKFJQC-HHHXNRCGSA-N 445.563 2.889 0 50 IFAA Cc1ccc(C2(c3noc(CN4CCN([C@@H]5CCS(=O)(=O)C5)CC4)n3)CCCC2)cc1 23373680 QTTGJBFGYYZGFT-HXUWFJFHSA-N 444.601 2.543 0 50 IFAA Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1cccc(F)c1F)CC2 299775719 HUSQDSRUVYMBDY-FYCOFBDGSA-N 430.455 2.957 0 50 IFAA COc1cccc(C[C@H](C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)n2nnnc2C)c1 467033381 MEXNBWARYDKMJQ-ODOSVJCGSA-N 434.544 2.553 0 50 IFAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1nc2ncc(Br)cn2n1 797084981 XHEBAWSFCZGJQS-GDBMZVCRSA-N 427.306 2.643 0 50 IFAA Cn1ccnc1CN(C(=O)c1ccc(C(=O)N(Cc2nccn2C)C2CC2)s1)C1CC1 2325706784 NBEMJVHZQSJKQF-UHFFFAOYSA-N 438.557 2.825 0 50 IFAA COC(=O)c1ccc(C(=O)N2CCC[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2)nc1 11815993 ZFLRUPDQCGRZCF-IBGZPJMESA-N 439.512 2.548 0 50 IFAA O=C(CCn1cncn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 12029573 BLHYRVIJYHXIJD-OAQYLSRUSA-N 429.540 2.727 0 50 IFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)CCNC(C)=O)O3)c1 14984268 DYAAWWOXVSNMCN-KRWDZBQOSA-N 432.904 2.970 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 19908900 BSRPOOAJAUDNOT-QFIPXVFZSA-N 440.565 2.894 0 50 IFAA Cc1cc(C)n(-c2ccc(CNC(=O)CC[C@@H](O)c3ccc4c(c3)CCC(=O)N4)cn2)n1 170597805 UQBOSJISFKTIEC-OAQYLSRUSA-N 433.512 2.899 0 50 IFAA COCc1nnc(-c2cccc(C(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)c2)o1 170613589 YGUQSDMSLMJTEC-NRFANRHFSA-N 436.512 2.904 0 50 IFAA CCN(CCc1ccccc1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC 170616828 KPRXXEROUDWPGU-UHFFFAOYSA-N 432.590 2.683 0 50 IFAA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(N2CCCS2(=O)=O)cc1 225399891 IAEJXRQTVRMJLD-UNMCSNQZSA-N 425.554 2.983 0 50 IFAA COc1ccc(Br)cc1Cc1nnnn1CC(=O)NCc1ccccc1C 225709741 IJPZUJCMTPEGFD-UHFFFAOYSA-N 430.306 2.660 0 50 IFAA O=C(NCc1cccs1)[C@H]1CC12CCN(C(=O)Cn1c(=O)oc3ccccc31)CC2 299769455 NHXWGGSOEXIBAI-MRXNPFEDSA-N 425.510 2.601 0 50 IFAA CC(C)CNC(=O)c1cccc(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)c1 952969269 ILULSIUBAZEJKF-NRFANRHFSA-N 440.519 2.541 0 50 IFAA O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 1875253195 QMCXVGJZOXYSFF-RZUBCFFCSA-N 443.503 2.924 0 50 IFAA CCOc1ccc(CCNC(=O)Cc2ccc(-n3cc(C(C)(C)C(=O)O)nn3)cc2)cc1 1875355705 NSUNFZFWINQJPE-UHFFFAOYSA-N 436.512 2.930 0 50 IFAA O=C(OC[C@@H]1CCCCN1C(=O)N=c1cc(-c2cccc(F)c2)o[nH]1)N1CCOCC1 2325727570 ISCUFPNZIXEBQZ-KRWDZBQOSA-N 432.452 2.758 0 50 IFAA C[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)c1nc(-c2ccc3ncnc(O)c3c2)no1 2325736410 FJVAYOMBUZMWKH-LBPRGKRZSA-N 425.470 2.788 0 50 IFAA Cc1cc(=NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)[nH]o1 2325737891 OQPBZUARQFWWNG-ABAIWWIYSA-N 440.283 2.887 0 50 IFAA Cc1ccc(CO[C@@H](C)C(=O)N2CC(C)(NC(=O)c3sc(N(C)C)nc3C)C2)cc1 2325828300 DFIYYLXRKZLROH-INIZCTEOSA-N 430.574 2.762 0 50 IFAA Cc1sc(S(N)(=O)=O)cc1NC(=O)[C@H](N)[C@H](C)c1cccc(Br)c1 2325851029 NGBCLUHSJDABPX-XLKFXECMSA-N 432.365 2.536 0 50 IFAA COc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(OC)cc1Br 1172536 HTTMSAKMTNDBOH-UHFFFAOYSA-N 441.347 2.977 0 50 IFAA COC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCCC3)c(N)c2)cc(C(=O)OC)c1 8659803 WSFHDSNUVGSWKD-UHFFFAOYSA-N 447.513 2.633 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C 17096253 KITFSFPZOZGHMW-UHFFFAOYSA-N 428.963 2.652 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccccc1Cl 22034108 ZBLZOTRWAZSFLA-XGHXRCDJSA-N 439.924 2.847 0 50 IFAA O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1c(Cl)cccc1Cl 36259067 PBHSNPIOUJYMMW-UHFFFAOYSA-N 428.341 2.938 0 50 IFAA O=C(O)c1cc(-c2ccc(-n3cccn3)cc2)cc(S(=O)(=O)N2CCSCC2)c1 71746716 LZMZDMNMGKDDRJ-UHFFFAOYSA-N 429.523 2.975 0 50 IFAA COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CCCCC(=O)N3)ccc2OC)cc1 170618066 KJXXCZJLULZARY-KRWDZBQOSA-N 447.513 2.502 0 50 IFAA CCOC(=O)c1ccc(S(=O)(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)cc1 225829040 MUHXCTLFDSIIGN-LJQANCHMSA-N 440.606 2.745 0 50 IFAA CSc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1 257372079 WALXNCFWODQORO-GHTZIAJQSA-N 443.617 2.908 0 50 IFAA CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3Cl)c2)n1 447680523 HOTFTFNPHXBMOJ-KRWDZBQOSA-N 428.876 2.522 0 50 IFAA CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 730532937 BZNYXBVSXHLAES-FCHUYYIVSA-N 427.570 2.779 0 50 IFAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1 798338778 BKMQQKRSUAZZOT-MRXNPFEDSA-N 432.395 2.706 0 50 IFAA CN(C(=O)Cn1cccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)c2ccncc2)CC1 11789071 GXPSUORYSKVURY-HSZRJFAPSA-N 431.540 2.900 0 50 IFAA O=C(NCc1nnc2n1CCC2)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11878812 GUVTVXXOCNFLQG-GOSISDBHSA-N 443.555 2.703 0 50 IFAA CSc1nsc(SCC(=O)Oc2ccc(C[C@@H](NC(C)=O)C(C)=O)cc2)n1 12364000 JPIXTMLIQJKDAX-CQSZACIVSA-N 425.557 2.594 0 50 IFAA CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)c2cccc(-n3cccn3)c2)CC1=O 14532244 JUKKEMHHCHPDLS-QHCPKHFHSA-N 447.539 2.793 0 50 IFAA CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17100600 SBCLZMFFHNJUSF-PMACEKPBSA-N 436.574 2.753 0 50 IFAA O=C(COc1ccccc1)Nc1ccc(N2CCC(NCCN3CCOCC3)CC2)cc1 20906623 CKFSDFPTFNNQHT-UHFFFAOYSA-N 438.572 2.595 0 50 IFAA O=C(O)C/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)COc1cccc(C(F)(F)F)c1 43772294 JJUBZOCIDPWZFS-PFOHYASSSA-N 430.419 2.780 0 50 IFAA in-vitro COc1cc(CCO)ccc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 225656212 BECVYDURLCLTBM-UHFFFAOYSA-N 435.406 2.880 0 50 IFAA C[C@H](NC(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1)[C@@H](C)N1CCOCC1 253420129 FWAPOQRISJRFJB-YRNRMSPPSA-N 444.403 2.982 0 50 IFAA CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)CC1 253423117 MLFQIYJRJLOFMV-OAQYLSRUSA-N 439.560 2.699 0 50 IFAA C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=c3sc4ncnn4c3=O)ccc2O1 254353299 WAFVIPDMKBZXBT-CQSZACIVSA-N 427.489 2.875 0 50 IFAA C=CC(=O)NC[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1nn(C)c2c1COCC2 1875383105 GTUDOLMCJALCHW-PZJWPPBQSA-N 436.556 2.649 0 50 IFAA CC(C)N1C(=O)c2ccc(C(=O)N3CCC4(CC3)C[C@@H]4CN(C)C3CC3)cc2S1(=O)=O 2325718560 LRQHRTMKWBONLN-QGZVFWFLSA-N 445.585 2.576 0 50 IFAA COc1cccc2c1C1(CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CC1)OCC2 2356139741 WESZTLDFMYVDKG-UHFFFAOYSA-N 429.538 2.732 0 50 IFAA COc1ccc(OC)c(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1 1204445 IEVCWCJDSAQYLF-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC 6631991 DNMISKGVNCVSCQ-CZAAIQMYSA-N 442.512 2.934 0 50 IFAA COc1cc(=O)n2c(c1C(=O)N[C@H](C)c1ccco1)CCN(C(=O)c1ccccc1)CC2 11788751 BOAGTLZXYUBXFB-MRXNPFEDSA-N 435.480 2.639 0 50 IFAA CCCN(CC1CC1)C(=O)C[C@@]1(c2ccccc2OC)CC(=O)N(CCCOC)C1=O 11814358 CHEUQHFNWPUPBZ-DEOSSOPVSA-N 430.545 2.767 0 50 IFAA COc1cc(CN(C)Cc2ccc3nonc3c2)ccc1OC[C@@H](O)CN(C)C(C)C 12054617 ZZKHXALLYALYOS-IBGZPJMESA-N 428.533 2.943 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(C2CSCCSC2)CC1 12090678 PISZFRVALLDWAK-UHFFFAOYSA-N 440.631 2.763 0 50 IFAA O=C(NC[C@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1)c1ccc2c(c1)OCO2 12447915 JOBFKXSJSIURPS-LJQANCHMSA-N 436.556 2.917 0 50 IFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)c1cn3cc(Cl)ccc3n1)CC2 14754104 RCFOMKFKKXHRDP-UHFFFAOYSA-N 427.892 2.969 0 50 IFAA COc1cc(CN2C[C@H](Sc3ccccn3)C[C@H]2C(=O)NC2CC2)cc2c1OCO2 14971441 NQAMHPNHUWNFED-SJORKVTESA-N 427.526 2.833 0 50 IFAA COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)c1 245256076 NLBUSGYDKDNNBP-JTDSTZFVSA-N 442.365 2.947 0 50 IFAA CC(C)COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 245380624 CZLBSBFGRXLMHU-KLVHLEODSA-N 436.508 2.881 0 50 IFAA O=C(CCCNC(=O)c1cnccn1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 252508158 XESQVFRIQGMTRT-HXUWFJFHSA-N 428.496 2.963 0 50 IFAA CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 252512438 QOMGLHGUYZOJMY-QZTJIDSGSA-N 426.560 2.533 0 50 IFAA CN1CCCC[C@H]1C(=O)NC[C@@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 299762095 RHVQUPIUFCVEJG-RXVVDRJESA-N 428.554 2.661 0 50 IFAA O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 433575725 OJMMKUITVLHGEC-HYWYFEKYSA-N 430.504 2.804 0 50 IFAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)CCn1cnc(-c3ccccc3)c1-c1ccccc1)C2 1857717322 KIEIQYSWYYLRSE-RTWAWAEBSA-N 430.508 2.581 0 50 IFAA Cc1c(C(=O)N[C@@H]2CCCN(C(=O)[C@@H](c3ccccc3)C3CC3)C2)cnn1CCN(C)C 2325828609 MKFPZPANKRUQLV-GGAORHGYSA-N 437.588 2.668 0 50 IFAA O=C1CC[C@H](N2C(=O)c3ccc(OCc4ccsc4C(F)(F)F)cc3C2=O)C(=O)N1 2325893861 CPLOOCWPMOHFGQ-ZDUSSCGKSA-N 438.383 2.747 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)CC1 2875862 JRJYSIWCXRDLIR-UHFFFAOYSA-N 437.378 2.922 0 50 IFAA C/C(=C\c1ccccc1)CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 12125487 UXCWHQAMHRECCJ-DYTRJAOYSA-N 445.567 2.977 0 50 IFAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccn3)cc2Cl)CC1 12448851 LNBLEAMWQXAEIK-UHFFFAOYSA-N 437.949 2.510 0 50 IFAA COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2 21297660 RTGDFNSFWBGLEC-SYZQJQIISA-N 433.501 2.524 0 50 IFAA fda CCOC(=O)N1CCN(Cc2nnc3cc(-c4nc(-c5ccccc5)no4)ccn23)CC1 169777116 WDZWFCXTBMVHIR-UHFFFAOYSA-N 433.472 2.720 0 50 IFAA Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cnn(-c2ccc(O)nn2)c1C 484261239 ZVCJITYDUFAJRF-UHFFFAOYSA-N 434.378 2.529 0 50 IFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cccc3ccnn23)CC1 1857678317 VOGINDGRDMKFAU-HSZRJFAPSA-N 438.503 2.744 0 50 IFAA COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc(OC)c1OC 800955 ITIFSDRWXKOPJS-UHFFFAOYSA-N 444.469 2.556 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Br)o1 9268469 BSHNJQBRRJLGEV-LBPRGKRZSA-N 429.292 2.752 0 50 IFAA COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN(C)CCC3CCOCC3)c2)CC1 12385677 LCORQBRLBSIMAD-HSZRJFAPSA-N 448.604 2.560 0 50 IFAA O=C1NCCN(Cc2ccc3ccccc3c2)[C@H]1CC(=O)N(CCO)Cc1ccccc1 14948056 RKPNXYIUTWERHR-DEOSSOPVSA-N 431.536 2.551 0 50 IFAA O=C(NCc1ccc2c(c1)OCO2)c1cn(C2CCCCC2)cc(C(=O)NC2CC2)c1=O 14973146 UUHJNVKVDZVUQD-UHFFFAOYSA-N 437.496 2.904 0 50 IFAA CCCN1CCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3ccncc3)C2=O)CC1 14999826 UVWRCQJQWDFUAG-SANMLTNESA-N 448.567 2.531 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccc(F)cc2)cc1 16217264 YTVSANOEVWQBJI-UHFFFAOYSA-N 429.473 2.741 0 50 IFAA Cc1nc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc(-n2cnc(C)c2C)n1 72446837 QPCMRMCTXOQTCF-UHFFFAOYSA-N 446.964 2.752 0 50 IFAA CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccco3)O[C@@H]2[C@@H]1O 253498534 FYTGFTLKWMSTHB-LLFXUEIYSA-N 425.437 2.516 0 50 IFAA O=C(NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH]ncc3c2)C1)Nc1cccc(F)c1 439100698 OYBXJQSVVSFHKG-AWEZNQCLSA-N 438.463 2.701 0 50 IFAA O=S(=O)(NCCN1CCC[C@H](CO)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 670461263 RBOJNFWSVOWZNV-NSHDSACASA-N 434.402 2.707 0 50 IFAA O=C(NCCOCC(F)F)N1CC[C@@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1 952895029 XIZQVVNDPSGCSF-MRXNPFEDSA-N 435.353 2.629 0 50 IFAA COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 1857799604 NRTXNZHJQMNGCS-UHFFFAOYSA-N 430.939 2.794 0 50 IFAA O=c1c(-c2noc([C@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)n2)cccn1C1CC1 1875345704 GUJCDZNGUMRPEU-KRWDZBQOSA-N 440.525 2.943 0 50 IFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc(OC)c2OC)c(OC)c1 779986 HAELFPIETVGVGB-LJQANCHMSA-N 427.457 2.988 0 50 IFAA Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(I)cc2)cc1 1119309 JMJFSPCZTJZRHE-UHFFFAOYSA-N 430.267 2.517 0 50 IFAA O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 2857366 XTFYBWFPEJXTNQ-UHFFFAOYSA-N 429.483 2.815 0 50 IFAA CC[C@H](C)C(=O)N1CCC([C@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 12035953 VUVOYCWYNHDHQQ-WNSKOXEYSA-N 431.533 2.799 0 50 IFAA CN1CCC[C@@H](CNC(=O)c2cn(C3CCCCC3)cc(C(=O)NC(C)(C)C)c2=O)C1 14994430 FLXKNKBMMNQVGM-KRWDZBQOSA-N 430.593 2.953 0 50 IFAA COc1ccc(-n2nc(C(=O)N3CCN(c4ncccn4)CC3)nc2-c2ccccc2)cc1 15108434 GWPLBIKEIKNNBP-UHFFFAOYSA-N 441.495 2.695 0 50 IFAA Cc1ccc(C)c(CN2C[C@H](Sc3nccn3C)C[C@H]2C(=O)N2CCCN(C)CC2)c1 19148593 FXMCEVYEYCVBGA-YADHBBJMSA-N 441.645 2.936 0 50 IFAA CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1CNCC1(N2CCOCC2)CCCC1 23362716 FBQXARPMPFURKX-UHFFFAOYSA-N 442.560 2.792 0 50 IFAA CN1CCN(S(=O)(=O)c2ccc(Sc3nc4ccccc4[nH]3)c3nsnc23)CC1 36038193 XNNCFDKSQXXZQH-UHFFFAOYSA-N 446.583 2.655 0 50 IFAA COc1cc(CN2CCC(N3CCC(C(=O)N4CCCC4)CC3)CC2)cc2c1OCO2 36385685 VZALLNNMEHYRSD-UHFFFAOYSA-N 429.561 2.723 0 50 IFAA Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)CC2)cc1 49694080 CFTLKZILZQDYBW-VAWYXSNFSA-N 446.573 2.541 0 50 IFAA CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)[C@H]3CCCN(C(=O)c4ccncc4)C3)ccc21 225664688 VQUWWBWABJUYEL-IERDGZPVSA-N 449.507 2.657 0 50 IFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)COc1ccc2c(c1)NC(=O)CC2 409414896 YGKIFUWOYFGDLE-SIKLNZKXSA-N 429.561 2.690 0 50 IFAA biogenic O=C(CCn1cnnn1)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857688861 RCZQNCYDPNQOSG-NRFANRHFSA-N 426.565 2.552 0 50 IFAA O=C(NC[C@H]1CCCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1)c1ccco1 1875252701 RWFAHXVEGOFYJK-CQSZACIVSA-N 434.422 2.916 0 50 IFAA COc1ccc(CN2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)c(OC)c1C 11880827 VCLQAWRPGWRFJO-IBGZPJMESA-N 427.549 2.941 0 50 IFAA Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3c(F)cccc3Cl)c(=O)n(C)c2n1 12445561 RMUBCFSTDOSXMP-UHFFFAOYSA-N 444.894 2.871 0 50 IFAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CN(C)Cc2ccc(F)cc2)c1 12455499 LNZLVUOBUIMFHK-QFIPXVFZSA-N 432.536 2.663 0 50 IFAA Cc1cnc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1 12762713 HARODFDVCWRNNM-UHFFFAOYSA-N 434.500 2.866 0 50 IFAA CCCCc1nnc(NC(=O)CSc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)s1 13545203 ZSWXPMQPLYOWCZ-UHFFFAOYSA-N 431.543 2.991 0 50 IFAA O=C1CCCN1CCCN1C[C@@H](OCc2ccccc2)CN(Cc2cccs2)CC1=O 14542417 HJDAPFIITZWERW-NRFANRHFSA-N 441.597 2.990 0 50 IFAA COCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CCN(C(=O)CCC(C)C)CC2)C1=O 14880522 QKSIRXCXXVRPST-XMMPIXPASA-N 447.551 2.980 0 50 IFAA COC(=O)c1c(OCc2ccsc2)cc(=O)n2c1CCN(Cc1ccncc1)CC2 14882023 GNOJJQYAPHZRFM-UHFFFAOYSA-N 425.510 2.729 0 50 IFAA O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1cccc(F)c1 19804434 VXEKPUOHVCVLBC-UHFFFAOYSA-N 427.505 2.969 0 50 IFAA O=C(NCc1cccnc1)C1CCN(C2CCN(C3CSCCSC3)CC2)CC1 23338917 APAKCHDSPVMKRA-UHFFFAOYSA-N 434.675 2.723 0 50 IFAA CN(Cc1cc(-c2ccccc2)no1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 55061085 CXGCCZWQAIGIOV-JOCHJYFZSA-N 436.487 2.830 0 50 IFAA C[C@H](C(=O)N1CCc2ccccc21)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 170593427 UIQYFFPKDCLTGM-PXDATVDWSA-N 446.595 2.773 0 50 IFAA CCOC(=O)[C@H](c1ccc(Br)cc1)N(CCCNS(C)(=O)=O)C(C)C 170607235 RMUOQIJCVSOFKW-INIZCTEOSA-N 435.384 2.703 0 50 IFAA CC(C)NS(=O)(=O)N1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1 225813936 AWNRJVKYSSZHRS-UHFFFAOYSA-N 435.619 2.812 0 50 IFAA CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCN1C[C@@H](C)O[C@H](C)C1 248212440 DVAVRHCNAWYFNI-LBTNJELSSA-N 430.376 2.973 0 50 IFAA COc1ccc2c(c1)OCCNC(=O)CN(CC1=CC[C@H]3C[C@@H]1C3(C)C)CCCNC2=O 1857705200 XNUKWJWCGZKSMR-RXVVDRJESA-N 441.572 2.618 0 50 IFAA O=C1CCN(CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C(=O)N1Cc1cccc2ccsc12 1875322223 MPGFPLZRFKYLPH-CPLUKWAASA-N 449.532 2.863 0 50 IFAA O=C(NC1CC1)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1cnc3ccccc3n1)C2 2100540858 RRSAYDMTXIGZPK-KNOQFWTLSA-N 435.572 2.606 0 50 IFAA CNC(=O)[C@@H](NC(=O)c1cc(Br)c(Br)n1C)c1ccccc1 2325699531 XBIUDDIMJPLKKC-LBPRGKRZSA-N 429.112 2.767 0 50 IFAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccco1 802812 LLVJIRFAZIKHEZ-UHFFFAOYSA-N 446.456 2.702 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1cccc(OC)c1 1220295 XGTPEQXASUFGBB-SQWSFHKJSA-N 438.505 2.708 0 50 IFAA COC(=O)c1cc(CNC(=O)c2cc(C)nn2C)cc(NC(=O)c2ccccc2OC)c1 12048620 WGNKBRSPNVAYCM-UHFFFAOYSA-N 436.468 2.706 0 50 IFAA CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccc3c(c1)OCO3)CC2 14539944 KCGPAVVQYADXFM-UHFFFAOYSA-N 436.512 2.672 0 50 IFAA COc1ccccc1-c1cc(C(=O)N2CCc3c(c(C(=O)NC4CCCC4)nn3C)C2)[nH]n1 14733246 HJBUXSOVXWIFCG-UHFFFAOYSA-N 448.527 2.690 0 50 IFAA Cc1nonc1N1CCN(C(=O)CN2Cc3ccccc3O[C@@H](c3ccsc3)C2)CC1 14957073 JPCRVNVOZXUCRU-HXUWFJFHSA-N 439.541 2.724 0 50 IFAA COc1ccccc1Cn1cc(C(=O)NCCC(C)C)c(=O)c(C(=O)N2CCCC2)c1 14996898 VLOPJWPCEGUVBX-UHFFFAOYSA-N 425.529 2.917 0 50 IFAA COC(=O)C[C@@](C)(NCC(=O)NCCOc1ccc(Cl)cc1)c1cccc(OC)c1 225571431 OBIHNHVAZMOTHF-JOCHJYFZSA-N 434.920 2.912 0 50 IFAA COC(=O)c1cn(CCCc2nc(-c3c(F)cccc3Cl)no2)cc2c(=O)[nH]nc1-2 263588856 ZGGIWBQHCROWSZ-UHFFFAOYSA-N 431.811 2.938 0 50 IFAA O=C(NCCS(=O)(=O)Cc1ccccc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 730827476 PORXKYOWJCZKEH-QGZVFWFLSA-N 430.448 2.653 0 50 IFAA Cn1cnnc1Sc1ccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)o1 825647736 LCIHCLKIDXKYNC-UHFFFAOYSA-N 431.469 2.752 0 50 IFAA O=C1CCC[C@@H](c2cccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)c2)N1 1439321043 MKPIWLTVRGTXJP-NRFANRHFSA-N 441.553 2.511 0 50 IFAA Cc1sc(S(N)(=O)=O)cc1NC(=O)[C@@H](N)[C@H](C)c1cccc(Br)c1 2325851026 NGBCLUHSJDABPX-CLAHSXSESA-N 432.365 2.536 0 50 IFAA CCOC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)o1 1097302 PLWVBANNTCXLIG-UHFFFAOYSA-N 449.312 2.943 0 50 IFAA Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 1111368 SDDYTAJHHCBIKW-UHFFFAOYSA-N 433.549 2.720 0 50 IFAA COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 1146758 DBEUOYZHFWMXDH-UHFFFAOYSA-N 438.933 2.711 0 50 IFAA COc1ccc(CCNC(=O)CSc2nnnn2-c2c(C)cccc2C)cc1OC 2837065 SHQKCQUQXXIKBE-UHFFFAOYSA-N 427.530 2.747 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)O)c1ccccc1Br 6121646 LKWKEOHTYBKWJP-UHFFFAOYSA-N 427.276 2.552 0 50 IFAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](CCSC)C(=O)O)cc1 9043680 GRNDOVALYPVDSF-OGBKAESYSA-N 428.510 2.789 0 50 IFAA biogenic CCN(CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC 14996096 RVCHGWOGMJZDBU-UHFFFAOYSA-N 428.562 2.951 0 50 IFAA COc1cc(Br)c(S(=O)(=O)NC(=O)CC(C)(C)CC(C)=O)cc1OC 170609445 KCMHZTNFUXJACM-UHFFFAOYSA-N 436.324 2.667 0 50 IFAA CS(=O)(=O)c1cc(S(=O)(=O)NCc2ccnc(OC3CCCC3)c2)ccc1Cl 253426960 CGHNYLFOILCJNL-UHFFFAOYSA-N 444.962 2.938 0 50 IFAA COC(=O)Cn1c(=O)c(NC(=O)c2cccs2)cc2c(NCc3ccccc3)ncnc21 390834822 FKKSBUFZFOLGPJ-UHFFFAOYSA-N 449.492 2.890 0 50 IFAA CN(C)S(=O)(=O)c1cccc(N2C(=O)N[C@@H](C[C@@H]3CCCc4ccccc43)C2=O)c1 445865235 ADJYZNDIGYDXND-JXFKEZNVSA-N 427.526 2.872 0 50 IFAA COCc1nc([C@@H](Cc2ccccc2)NC(=O)CC(C)(C)c2oc(C)cc(=O)c2O)n[nH]1 1857526882 HTDBYLFRQOANSU-MRXNPFEDSA-N 440.500 2.686 0 50 IFAA CC(C)Cc1cc(C(=O)N2CCC3(CC2)OCCc2sc(C(=O)O)cc23)nc(O)n1 1857691801 DIEOVFICKIOWHO-UHFFFAOYSA-N 431.514 2.845 0 50 IFAA O=C(N=[S@]1(=O)CCCN(C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)CC1)c1cnn(C2CCC2)c1 2332238824 NKWDJZITMFMBNM-BPJQYFMOSA-N 448.589 2.796 0 50 IFAA COC(=O)c1ccc(C(=O)N2CCC3(CC2)OCCc2cc(OC)c(OC)cc23)nc1 2356159258 SKQSMYSGQFWFET-UHFFFAOYSA-N 426.469 2.590 0 50 IFAA CSc1nnc(CNC(=O)CN2C[C@H](c3ccccc3)CC2=O)n1-c1ccccc1C 12247002 NQYNWOXSEKDWLU-GOSISDBHSA-N 435.553 2.930 0 50 IFAA O=C(CCc1ccccc1)Nc1ccc(N2CCC(NCCN3CCNC3=O)CC2)cc1 14884347 VRWVPJPVNJTPAC-UHFFFAOYSA-N 435.572 2.842 0 50 IFAA COc1cccc(OC[C@@H](O)CNC(=O)c2cc(COc3ccc(F)c(F)c3)on2)c1 14954954 FLWQNPDEUWRHLK-ZDUSSCGKSA-N 434.395 2.710 0 50 IFAA C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 252586290 OUBGTUUQYNXPCG-CEXWTWQISA-N 439.597 2.994 0 50 IFAA COc1ccc(-c2nn3ccn(Cc4nc(-c5ccccc5)no4)c(=O)c3c2CO)cc1 263616816 KRRXGGTWEQHJEH-UHFFFAOYSA-N 429.436 2.762 0 50 IFAA Cc1ncc2c(c1CNS(=O)(=O)c1ccccc1)CCN(C(=O)CCc1ccco1)C2 299771355 WTSQLOVIJULPMN-UHFFFAOYSA-N 439.537 2.979 0 50 IFAA CN1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 918638535 ZUAJMZIVKXEUSJ-HSZRJFAPSA-N 446.551 2.697 0 50 IFAA CCOc1ccc2nc(N3C[C@@H](C(=O)N4CCn5nc(C)cc5C4)CC3=O)sc2c1 1857721344 KWVGJDFWRFJVCC-AWEZNQCLSA-N 425.514 2.595 0 50 IFAA CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(Br)c2)c1 1148006 XOVZTNNYKVLDBL-UHFFFAOYSA-N 438.307 2.932 0 50 IFAA CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C1=S 2825688 XZBJXBIBCDZGFL-MRXNPFEDSA-N 429.473 2.901 0 50 IFAA CN(c1cccc(NC(=O)c2ccccc2I)c1)S(C)(=O)=O 2875834 RBYIRUUNRQZXNK-UHFFFAOYSA-N 430.267 2.939 0 50 IFAA CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1cccc(Br)c1 2989692 VNZOWYDUSZTSPA-UHFFFAOYSA-N 447.376 2.858 0 50 IFAA CCn1c(SCC(=O)N2CCCCC2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 11404462 NZSMMOIGOPVIPJ-HNNXBMFYSA-N 431.562 2.902 0 50 IFAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)Oc3cccc4ccccc34)C[C@H]12 14746131 WNKHUGMNQDMUBU-NHCUHLMSSA-N 429.476 2.593 0 50 IFAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl 16226895 MHUZGIVEILCMNH-UHFFFAOYSA-N 430.935 2.934 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)CC2)cc1 19637577 QEDICTJJRMTJQY-UHFFFAOYSA-N 442.990 2.960 0 50 IFAA O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NCc1cccc(OC(F)F)c1 225808464 KNLYMYZWQQVVDR-UHFFFAOYSA-N 438.374 2.902 0 50 IFAA CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 764987288 BDTFMXSWXLKJQV-JKSUJKDBSA-N 427.542 2.528 0 50 IFAA O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)N1CCc2nc[nH]c2C1 888104026 VJAAGGGLTKBMAX-HSZRJFAPSA-N 441.491 2.890 0 50 IFAA COc1ccc(OC)c(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 652513 KQFMVGQTNDGWCL-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA COc1ccc(C(=O)[C@@H]2[C@H](c3ccc4c(c3)OCO4)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 912986 PRTCGQRTMLEBJQ-BXWFABGCSA-N 438.358 2.528 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1ccc2c(c1)OCO2 1073232 XXSGKHSHBUCZOB-UHFFFAOYSA-N 427.276 2.583 0 50 IFAA COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 2887836 DWHNVSRKYAOPHK-UHFFFAOYSA-N 446.525 2.830 0 50 IFAA O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2)c1ccc(F)cc1 9428058 XKUGEQDQNWKNQQ-CQSZACIVSA-N 436.530 2.935 0 50 IFAA Cc1n[nH]c(CCNC(=O)[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)n1 12315123 XQUMOFMLCZMTNK-SFHVURJKSA-N 431.544 2.634 0 50 IFAA COc1ccc(/C=C/CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1 14883802 LVVGLZSXCMBCMT-ONEGZZNKSA-N 435.503 2.927 0 50 IFAA O=CN1CCN(Cc2ccc(OCC[C@@H]3CCCCN3C(=O)c3ccncc3)cc2)CC1 14995130 NYSRRRGTBXJZLQ-QHCPKHFHSA-N 436.556 2.819 0 50 IFAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N2CCN(c3ccccc3)CC2)CC1 15066307 FNHHVTFWHWSZJT-UHFFFAOYSA-N 437.540 2.665 0 50 IFAA CCN(CC)C(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 55190578 MYIJCHMIRGSJHK-WMLDXEAASA-N 436.350 2.661 0 50 IFAA O=C(NCc1ccccn1)c1ccccc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 225428605 UTQDIVUFZMAIBF-MSOLQXFVSA-N 443.507 2.825 0 50 IFAA biogenic COc1ccc(CN[C@H]2CC[C@H](O)CC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 244574763 CQYMCORJBNWMKB-DNVJHFABSA-N 428.573 2.960 0 50 IFAA CCN(C(=O)c1ccc2c(=O)n(CC)c(O)nc2c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1439243507 CTWMZKUKDAKJHA-OAHLLOKOSA-N 430.505 2.594 0 50 IFAA C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1nc(C(F)(F)F)cs1 1467522725 ALFZZZFQZCEKDV-JKOKRWQUSA-N 445.438 2.683 0 50 IFAA CN(C)[C@@H](CNC(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1)c1cccs1 1875350717 YHWMBVUYHBPDEX-KRWDZBQOSA-N 434.525 2.589 0 50 IFAA COCCNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 2975815 KPKHDHHKSXFJDG-UHFFFAOYSA-N 431.341 2.947 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1ccc(F)cc1 8399139 AOLOQUAMUKJSGU-GANRHZMWSA-N 428.510 2.999 0 50 IFAA C[C@H]1Cc2ccccc2N1C(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 13494498 QDQZSUOUJBRIHK-KRWDZBQOSA-N 431.492 2.661 0 50 IFAA Cc1cccn2c(CN3CCCN(C=O)CC3)c(C(=O)N(C)CCc3ccccc3)nc12 13596115 QQRJVCVDIXZTOC-UHFFFAOYSA-N 433.556 2.622 0 50 IFAA COc1ccc(-n2c(CCNS(=O)(=O)c3ccc(F)cc3F)nnc2SC)cc1 14981848 GVEDNYALEFBIGI-UHFFFAOYSA-N 440.497 2.797 0 50 IFAA Cc1ccc(C(=O)N2CCC(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)c(C)c1 15063296 APUXZEDZIWZNMI-QFIPXVFZSA-N 427.589 2.915 0 50 IFAA CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(I)c3c(N)ncnc32)C1 116354198 YQXAEBHPCJZKKX-SECBINFHSA-N 444.277 2.585 0 50 IFAA in-vitro CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)CC1 253423115 MLFQIYJRJLOFMV-NRFANRHFSA-N 439.560 2.699 0 50 IFAA COc1cc(CN2CCc3c([nH]c4ccccc34)C2)ccc1OCC(=O)N1CCOCC1 536697356 KEVJONHDHCQJRX-UHFFFAOYSA-N 435.524 2.972 0 50 IFAA Cn1cc(S(=O)(=O)NC(=O)c2ccnc(Oc3ccccc3)c2)c(C(F)(F)F)n1 816293843 YDXMDZJLRXAETG-UHFFFAOYSA-N 426.376 2.745 0 50 IFAA CCN1CCN(Cc2ccccc2CNC(=O)[C@@]2(C)CCN2C(=O)OC(C)(C)C)CC1 1875332296 VBGILRSUOHHTEJ-XMMPIXPASA-N 430.593 2.840 0 50 IFAA O=C(Cn1nc(O)c2ccccc2c1=O)N(CCc1ccccc1)CCc1ccncc1 2325864434 ONQNTOKLXUWZRO-UHFFFAOYSA-N 428.492 2.811 0 50 IFAA Cc1c(C(=O)NC2C[C@H]3CN(C(=O)c4cn5ccnc5s4)C[C@@H]3C2)sc2nccn12 2325875743 AVLKBPOPEGGYTE-STQMWFEESA-N 440.554 2.694 0 50 IFAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CCSc1nc2ccccc2o1 634594 BFYHJPYKRFSEEZ-UHFFFAOYSA-N 440.529 2.737 0 50 IFAA COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1 6577754 YJHKIGQEPRQZJF-FQEVSTJZSA-N 436.468 2.633 0 50 IFAA CCC[C@@]1(C2CCN(C(=O)c3cccc(F)c3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O 11783137 XHIVVLNTZSVKJR-CVDCTZTESA-N 431.508 2.948 0 50 IFAA O=C(COc1ccccc1)Nc1ccc(N2CCC(NC[C@H]3COCCO3)CC2)cc1 11790784 HHLBYXRBGPNJAB-QHCPKHFHSA-N 425.529 2.678 0 50 IFAA COC(=O)c1ccccc1NC(=O)CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1 12417868 IQSVGTXQYJXXFY-UHFFFAOYSA-N 435.465 2.626 0 50 IFAA biogenic,in-vitro CCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCc2cc(C3CC3)[nH]n2)c1=O 14985837 UWYARVROXCMPBJ-UHFFFAOYSA-N 425.533 2.709 0 50 IFAA COc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)cc1 15066248 BNRZXFZCKIRYNP-DEOSSOPVSA-N 431.536 2.898 0 50 IFAA COc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)cc1OC 169770477 SRXAPOVGIMIUDV-UHFFFAOYSA-N 440.475 2.796 0 50 IFAA COC(=O)c1c(OCCN2CCCCC2)cc(=O)n2c1CCN(C[C@H]1CC=CCC1)CC2 299768512 PANAGKLTKQZRSM-FQEVSTJZSA-N 443.588 2.714 0 50 IFAA NC1(CCNC(=O)N2CC[C@@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)CC1 952894530 RMKARSIVXBZLJC-GOSISDBHSA-N 427.402 2.973 0 50 IFAA C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cccc(-n2[nH]nnc2=N)c1 1298395174 IDJAFSCDPMUNOK-SJKOYZFVSA-N 432.406 2.696 0 50 IFAA COc1ccc([C@@H](CC(=O)NCc2ccccn2)c2c(O)n3ccccc3nc2=O)cc1 1776111862 UVKCHIFCXXESNJ-LJQANCHMSA-N 430.464 2.642 0 50 IFAA Cc1cncc(CC(=O)N2CCC[C@@H]([C@H]3CCCN(C(=O)c4cccc(C(N)=O)c4)C3)C2)c1 1875360083 YJTKQHRPDCZZOJ-PKTZIBPZSA-N 448.567 2.822 0 50 IFAA Cc1cc(CC(=O)N=S2(=O)CCC3(CC2)C[C@@H](NC(=O)[C@@]2(C)C=CCC2)CCO3)no1 2332238332 LJNYOGBZXMHTIL-YFTHZHNDSA-N 449.573 2.704 0 50 IFAA CC1(C(=O)N2CCC([S@](C)(=O)=NC(=O)c3cccc4nccn34)CC2)CC(F)(F)C1 2332238960 RNAZFEAUWMDODL-PMERELPUSA-N 438.500 2.999 0 50 IFAA COc1ccccc1N1CCN(C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)CC1 879036 JYWGNSDOMZWJQD-UHFFFAOYSA-N 445.585 2.933 0 50 IFAA COc1ncccc1C(=O)N1CCC([C@]2(C)NC(=O)N(Cc3ccsc3)C2=O)CC1 11787774 LDKFBURYWAVKRR-NRFANRHFSA-N 428.514 2.515 0 50 IFAA CC1=C(C)C[C@H](C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)[C@@H](C(=O)O)C1 17099006 ZBSUUIFDHLECNH-OALUTQOASA-N 434.558 2.584 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1 19782387 ACVLKVNDZSSLPZ-HXUWFJFHSA-N 441.915 2.971 0 50 IFAA CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)CC1 29766049 USQCXTDLIRKUAK-QGZVFWFLSA-N 448.614 2.539 0 50 IFAA Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc(N2CCCCC2)n1 64814536 JPXJTRSOYGYLKW-UHFFFAOYSA-N 437.516 2.564 0 50 IFAA CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)CC1 65362881 FOONPIYJNJVGKS-UHFFFAOYSA-N 427.448 2.894 0 50 IFAA C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 252586291 OUBGTUUQYNXPCG-QYZOEREBSA-N 439.597 2.994 0 50 IFAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(Cc2nc3ncccc3o2)CCCN1 1875241690 WBFZDTZBRDQLKA-LJQANCHMSA-N 435.528 2.615 0 50 IFAA COc1ccc(-n2nc(-c3nc[nH]n3)nc2-c2ncn3cc(Br)sc23)cn1 1875349333 UESWEQADZUGCPD-UHFFFAOYSA-N 444.278 2.595 0 50 IFAA O=C1CC[C@@H](N2Cc3ccc(C(=O)N4CC5(CCC5)c5c(F)cccc54)cc3C2=O)C(=O)N1 2325887021 QTELMEWNRKCTSB-LJQANCHMSA-N 447.466 2.669 0 50 IFAA O=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 899521 IHWCFKBMNAEZBJ-UHFFFAOYSA-N 430.551 2.676 0 50 IFAA CCOc1nc(NC(=O)NS(=O)(=O)Oc2ccc(F)cc2)nc(-c2ccccc2)n1 3623476 DJKNHTMTXUFJSZ-UHFFFAOYSA-N 433.421 2.522 0 50 IFAA O=C(NCc1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1)CC2)c1ccccc1 11977000 IXBUEXBDGPYZGJ-UHFFFAOYSA-N 443.429 2.925 0 50 IFAA Cc1ccc(F)cc1NC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N2C1 14533277 BVJKEKFBYVJVHY-WDSOQIARSA-N 444.894 2.620 0 50 IFAA O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2C[C@@H](NCc3cccc4ncccc34)C[C@@H]12 14754124 SBVAZAACDIIQSF-NYVOZVTQSA-N 434.927 2.688 0 50 IFAA COc1ccc(CN2CCN(Cc3ccc(OCCO)cc3)C[C@@H]2CCO)c(C)c1C 22926070 WMMAPHGIJNMKCG-QHCPKHFHSA-N 428.573 2.752 0 50 IFAA O=C(CC1(O)CCCC1)Nc1cnn(C[C@@H]2CCCCN2C(=O)CC2(O)CCCC2)c1 170611345 SXNOMWQITACSOJ-IBGZPJMESA-N 432.565 2.593 0 50 IFAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1ccccc1Cl 229892464 ZBMSHHNCKGMYTQ-FBAVSBLXSA-N 425.847 2.910 0 50 IFAA CSCC[C@H](C(=O)OCC(=O)c1cccs1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239038896 FDELBLHJGMYLED-JWJZOWARSA-N 445.562 2.649 0 50 IFAA CN(C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCC[C@@H]1S(C)(=O)=O 252675356 TVOVFUMLBFCUFG-NOLJZWGESA-N 440.787 2.740 0 50 IFAA Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 328592437 IGBKSJJXRWZNJR-RLLQIKCJSA-N 430.574 2.673 0 50 IFAA Cc1ccccc1-n1cc(CN2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(C(=O)O)C2)cn1 828548090 XXWTYHYBDZRUCA-TZBSWOFLSA-N 438.572 2.958 0 50 IFAA Cc1nc(C)c(C)c(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 1857693493 ZGUQIFZRLAFLPN-NRFANRHFSA-N 428.508 2.816 0 50 IFAA Cc1c(Cl)nc(-c2ccccn2)[nH]c1=N[C@H]1C[C@](F)(CNC(=O)C2(CN(C)C)CC2)C1 1875335106 SJWQKXQOBKXWMT-FVUUGDKNSA-N 446.958 2.663 0 50 IFAA COc1c[nH]c(C(=O)N[C@H](c2ccccc2)[C@@H](C)NC(=O)C[C@H]2C[C@H]3C=C[C@H]2C3)cc1=O 2325876508 XYBRCLPJQBIZOG-PZHMSBMLSA-N 435.524 2.962 0 50 IFAA C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325899104 OGHBZOGFECUUAG-LPTQZCDUSA-N 431.492 2.671 0 50 IFAA CCOC(=O)N1CCN(C(=O)/C(=C/c2ccccc2OC)NC(=O)c2ccccc2)CC1 8653916 BXBRBXJDYUJLFT-JZJYNLBNSA-N 437.496 2.767 0 50 IFAA CSc1ncc(CN2CCC[C@@H](CNS(=O)(=O)c3cccc4cccnc34)C2)cn1 11816734 ZOBAVGHJBWXCPZ-INIZCTEOSA-N 443.598 2.937 0 50 IFAA CCC(=O)N[C@@H](c1nnc2n1CCN(C(=O)/C=C/c1ccc(F)cc1F)CC2)C(C)C 12122454 WGZKLMVJNMBSNQ-HSTAZWAASA-N 431.487 2.878 0 50 IFAA CCOC(=O)c1nn(CCc2scnc2C)c2c1CN(C(=O)c1cc(CC)on1)CC2 14533188 LGPQCZNPLJINLM-UHFFFAOYSA-N 443.529 2.816 0 50 IFAA COC(=O)C1CCN(Cc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nc3ccc(Cl)cn23)CC1 15934859 UJXZYJKULYVDQP-GASCZTMLSA-N 448.951 2.622 0 50 IFAA O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38530876 KKLAGFRCNQRHNM-UHFFFAOYSA-N 441.479 2.607 0 50 IFAA C[C@@H](C(=O)N1CCc2ccccc21)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 170593428 UIQYFFPKDCLTGM-OFVILXPXSA-N 446.595 2.773 0 50 IFAA O=c1cc(CN2CCc3ccccc3C2)oc(CN2CCN(CC(F)(F)F)CC2)c1O 253407117 JOAWUWCCNKIKNX-UHFFFAOYSA-N 437.462 2.584 0 50 IFAA COc1ccc([C@@H](CNC(=O)C(=O)N2CCC(CO)CC2)c2c[nH]c3ccccc23)cc1 253407906 NOQHBGLWTYWLHD-OAQYLSRUSA-N 435.524 2.656 0 50 IFAA CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC(OCCOC)C3)c2)cc1 479984553 INAXRZURTJXKLB-UHFFFAOYSA-N 448.541 2.682 0 50 IFAA CCc1nn(C)c(CC)c1CC(=O)N=[S@](C)(=O)C1CCN(C(=O)CC2(C)CC2)CC1 2332238727 JLNWYOKLERHYAX-SSEXGKCCSA-N 436.622 2.893 0 50 IFAA CCOc1ccc(NC(=O)CSC2=N/C(=C\c3cnn(C)c3)C(=O)N2C2CC2)cc1 17094494 PMKBWHFTBDWZMH-ZDLGFXPLSA-N 425.514 2.892 0 50 IFAA CCOc1ccc(CN2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1CO 22853620 QGJZTMJWDPTNFN-HSZRJFAPSA-N 428.573 2.963 0 50 IFAA COc1ccc(OC)c(Cc2nnc(CCC(=O)N3CCN(C4CCCC4)CC3)o2)c1 23338492 ZMSXNWFDMPJMFT-UHFFFAOYSA-N 428.533 2.697 0 50 IFAA Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 39383617 FSJWPPBYDFXAFO-UHFFFAOYSA-N 446.555 2.831 0 50 IFAA COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Br)C(=O)[C@@H]3N3CCCN23)cc1 138569271 YDAZWDQJHIXODA-IPMKNSEASA-N 442.313 2.993 0 50 IFAA CC(=O)N1CCN(Cc2ccccc2NC(=O)CN2CCOc3ccc(Cl)cc32)CC1 170602422 MMWOTLCGBHBOCW-UHFFFAOYSA-N 442.947 2.842 0 50 IFAA C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 239415259 UBRFORVCBVBPCG-UIBIWLFHSA-N 441.619 2.524 0 50 IFAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(Cc4cccc(C(F)(F)F)c4)nn23)C1 951726937 QZVIEMKQIBSAHE-GFCCVEGCSA-N 445.492 2.934 0 50 IFAA Cc1cc(C)c(C(=O)N2CCO[C@@H](CN3CCCN(C)CC3)[C@@H]2c2cnn(C)c2)cc1C 1857717885 DBYMSCWSGVPBDD-ZEQRLZLVSA-N 439.604 2.565 0 50 IFAA C[C@H](Cn1cc(-c2cncs2)nn1)NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 1875354946 UVKLDIAOBSSDDZ-IUODEOHRSA-N 430.921 2.613 0 50 IFAA CC(=O)Nc1c(O)n(-c2ccccc2)c(SCC(=O)N[C@H](C)c2ccccc2)nc1=O 1132525 LQPGEYMRUUSWSS-CQSZACIVSA-N 438.509 2.866 0 50 IFAA CCc1c(C)sc(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)c1C(=O)OC 2858026 PTLFUFRCSNEMEO-UHFFFAOYSA-N 427.573 2.540 0 50 IFAA COc1cccc(N2CCN(C(=O)c3cn(Cc4cccc5ccccc45)nn3)CC2=O)c1 11843483 OBEIBBWFWMESIV-UHFFFAOYSA-N 441.491 2.977 0 50 IFAA COc1cc(CN2CCc3[nH]ncc3C2)ccc1OC[C@H](O)CN(C)C1CCCCC1 15062082 UXSIMLGLCNXEOH-OAQYLSRUSA-N 428.577 2.981 0 50 IFAA O=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)N1CCO[C@]2(CCOC2)C1 170597566 RKPMVCORLJITEW-HXUWFJFHSA-N 436.917 2.772 0 50 IFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc(C(C)(C)C)cs3)C2=O)cc1OC 206241751 DRUMJUWJBIUXOS-CYBMUJFWSA-N 446.529 2.907 0 50 IFAA CCCCOC(=O)Cn1c(=O)c2nc3cc(-c4ccccc4Cl)oc3nc2n(C)c1=O 252484053 FMZJHTZGPUOSJH-UHFFFAOYSA-N 442.859 2.900 0 50 IFAA Cc1ccc([C@H](NC(=O)CN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c2cccs2)cc1 252533184 GEWAGGQZAPNZEM-IQGFKKISSA-N 442.610 2.801 0 50 IFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 252536065 HNRAYRVZJVEHJA-LJQANCHMSA-N 441.915 2.865 0 50 IFAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1ccc(Cn3cncn3)cc1)C=C2 253409377 LSLDMEYNAHGIGJ-UHFFFAOYSA-N 447.495 2.728 0 50 IFAA biogenic O=C(CC1(Cn2cnnn2)CCCCC1)Nc1cccc(N2CCCCS2(=O)=O)c1 409413533 IPWJWOWOMZHWRB-UHFFFAOYSA-N 432.550 2.582 0 50 IFAA Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)C1 495182868 IFZGAIBBGWMZPX-VYOTZDLLSA-N 425.548 2.911 0 50 IFAA COc1cccc(Cn2cccc(NC(=O)[C@@H](N)c3cccc(C(F)(F)F)c3)c2=O)n1 1875340562 IQRPXGDJXNUGHD-SFHVURJKSA-N 432.402 2.958 0 50 IFAA COCc1cccc(C(=O)NCC[C@@H]2CCCN(C(=O)[C@H]3CCCc4ncnn43)CC2)c1 1875341054 DNKCTEUXBOYLTO-GHTZIAJQSA-N 439.560 2.751 0 50 IFAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2nccs2)cc1 780379 RSBZHOGKVJWSSD-SFHVURJKSA-N 429.523 2.906 0 50 IFAA COC(=O)CSc1nc2ccc(NC(=O)CSc3nnc(N)s3)cc2s1 2189396 LDLIZIVJRKKZRS-UHFFFAOYSA-N 427.558 2.726 0 50 IFAA CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)CN4C(=O)c5ccccc5C4=O)cc1c32 2215759 VNUCIIMFFMIVOR-UHFFFAOYSA-N 430.416 2.613 0 50 IFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc(OC)c1OC 8660943 YZXBOVZDFWTYTE-HXUWFJFHSA-N 442.468 2.963 0 50 IFAA CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1 11817963 PBIVLDKADGOLPZ-LJQANCHMSA-N 434.544 2.546 0 50 IFAA CCOCCCNC(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3ccc(OC)cc3)nc2C1 11965998 IHSDGQAVAWSAJX-AWEZNQCLSA-N 431.514 2.692 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)N[C@@H](C)Cc2ccsc2)(c2ccccc2)C1=O 12041074 NCAFGUAKUPOHFQ-SBUREZEXSA-N 428.554 2.919 0 50 IFAA CCN(CC)[C@@H]1CCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1 12716201 HFTXHZCDZWRPSH-HXUWFJFHSA-N 431.577 2.649 0 50 IFAA CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)[C@H]1CC(=O)c3ccccc31)CC2 14741025 STDHADKXXXTCIN-HNNXBMFYSA-N 448.445 2.792 0 50 IFAA COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CCN(Cc2ccccc2OC)CC3)c1 14989814 MQLFKJANWXOHEU-KRWDZBQOSA-N 435.528 2.845 0 50 IFAA Cc1ccccc1-n1cc(CNC(=O)C[C@H]2C(=O)NCCN2C/C=C/c2ccccc2)cn1 55060991 DNMUSEQROJDQDA-IWXKUNQBSA-N 443.551 2.701 0 50 IFAA Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[C@]34NC(=O)NC4=O)c3c(C)noc3n2)cc1 465385281 DLLGJYVEENBXIF-WNSKOXEYSA-N 433.468 2.615 0 50 IFAA COc1ccc2cc(C(=O)NCCn3c(CO)nc4ccccc43)sc(=O)c2c1OC 824519332 BQNDZMQEZCPUFZ-UHFFFAOYSA-N 439.493 2.551 0 50 IFAA CCOc1ccc(C(=O)N2CCO[C@H](CO)[C@H]2c2ccc(OC)c(OC)c2)cc1OC 1529158742 KHRSHGZZMCMFQP-FGZHOGPDSA-N 431.485 2.686 0 50 IFAA O=C(CN1CCOC1=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857690480 FMTLKXUEIBXSLW-OAQYLSRUSA-N 429.561 2.927 0 50 IFAA O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 2325732286 KRFIXBXWRRINLP-ZSYWTGECSA-N 440.462 2.661 0 50 IFAA CCOC(=O)CCNC(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C1CC1 12039460 BDAJOWLXZXXHBL-UHFFFAOYSA-N 435.484 2.898 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 13619199 VTUFWDOPVSSWRE-HXUWFJFHSA-N 446.525 2.518 0 50 IFAA CN(C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1 14748779 DWRPWOMUTKNQSU-LEWJYISDSA-N 428.552 2.806 0 50 IFAA COc1ccc(C(=O)CSc2nnc(CCNC(=O)c3ccc(F)cc3)n2C)cc1 16448472 DDQMMUZEULZZDL-UHFFFAOYSA-N 428.489 2.910 0 50 IFAA Cc1cc(C)n(-c2cccc(-c3cc4c(n(C)c3=O)CCN(C(=O)c3cnccn3)C4)c2)n1 19148185 WRHWNYSNMJTYLR-UHFFFAOYSA-N 440.507 2.843 0 50 IFAA COC(=O)Cc1cccc(NC(=O)[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C(C)C)c1 170668511 NAQJBQBXZCJSIC-IBGZPJMESA-N 438.933 2.997 0 50 IFAA CSC[C@H](C(=O)OCC(=O)Nc1ccc(C)cc1C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 239297091 DSWVHOHJQDXEKL-JFIYKMOQSA-N 432.542 2.692 0 50 IFAA CC(C)c1nc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)n[nH]1 253410688 NPFNUHFGFLLRRP-SECBINFHSA-N 432.282 2.559 0 50 IFAA CCc1cc(C(=O)N2CCC([C@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)no1 299760348 FRUFAGPKTOFFBH-QFIPXVFZSA-N 428.464 2.739 0 50 IFAA O=C(CCNS(=O)(=O)C(F)(F)F)N(Cc1ccccc1)C[C@H](O)c1ccccc1 1875256758 HXWSJOHKPLOEFY-KRWDZBQOSA-N 430.448 2.578 0 50 IFAA O=C(Nc1cccc(F)c1F)C(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F 1875327511 XXEMRVLSMQEMDM-LLVKDONJSA-N 427.329 2.540 0 50 IFAA NC(=O)NC(=O)c1cccc(NC(=O)[C@@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)c1 1875329376 SOLMQVFOYWZRKF-VQIMIIECSA-N 437.431 2.536 0 50 IFAA C=CC(=O)N[C@H]1CN(C(=O)CNC(=O)c2ccc(C)s2)CC[C@@H]1c1ccc(F)cc1 1875383532 XXPFWHVOZLJDNJ-MSOLQXFVSA-N 429.517 2.612 0 50 IFAA NC(=O)CCC1CCN(C(=O)c2ccc(Oc3ccc(Cc4nn[nH]n4)cc3)cc2)CC1 2325820934 BPHIGPYMQBXQNT-UHFFFAOYSA-N 434.500 2.701 0 50 IFAA CCOc1ccc([C@H](N)C(=O)NS(=O)(=O)c2cc(Br)sc2C)cc1 2325860250 ALJUREWVRNZHJQ-AWEZNQCLSA-N 433.349 2.723 0 50 IFAA CCOC(=O)[C@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 627188 NMQCIULWPUBWEM-ZDUSSCGKSA-N 436.921 2.559 0 50 IFAA COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1cc2c(cc1Br)OCO2 968783 VOGAIFXIIKKEKH-UHFFFAOYSA-N 436.258 2.853 0 50 IFAA COc1ccc(CCN2C(=S)N(C)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1OC 1261299 DOWHGGUYVABZHD-QGZVFWFLSA-N 445.516 2.842 0 50 IFAA COc1ccc(NC(=O)C[C@@H]2CS(=O)(=O)C[C@H]2CC(=O)Nc2ccc(OC)cc2)cc1 8781400 PJRAYPJPBFRIPC-HZPDHXFCSA-N 446.525 2.722 0 50 IFAA C[C@@H](NC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1)c1ccccc1 11816435 LSXDFXHFVHPNFM-QGZVFWFLSA-N 431.558 2.827 0 50 IFAA COc1cc(/C=C/CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)ccc1O 14952696 IXLZQECDNSCBIH-ZMBJWTFHSA-N 427.549 2.787 0 50 IFAA CCN1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(C)cc(C)cc2C)CC1 19639108 UCHHSIMKTWLFSI-UHFFFAOYSA-N 443.613 2.967 0 50 IFAA CO[C@@H](C(=O)N1CCc2c(c(C(=O)N(C)C)nn2CCC(F)(F)F)C1)c1ccccc1 19740224 GEIVOILRFHOOQS-GOSISDBHSA-N 438.450 2.810 0 50 IFAA CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(OC)cc1OC)CCO2 55052719 SWSISSHEQPNNTE-JOCHJYFZSA-N 439.556 2.809 0 50 IFAA O=C(CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 252549662 ROXQNNLVHLOEAT-QMZDIEEXSA-N 446.551 2.949 0 50 IFAA CC[C@@H]1CCc2nc(NC(=O)C(=O)N3CCN([C@H](C)c4cccnc4)CC3)sc2C1 434598673 VISAOYJXLRKUEA-HZPDHXFCSA-N 427.574 2.897 0 50 IFAA O=C1CN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c2ccc(Br)cc2N1 761798479 MKCKYRKQWIHVJW-CYBMUJFWSA-N 435.322 2.662 0 50 IFAA Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)[C@H](c3cccc(F)c3)N(C)C)CC2)n1 952972921 QRTCEIOOCZDWRC-KRWDZBQOSA-N 425.430 2.894 0 50 IFAA Cc1csc(C(=O)N=[S@@](C)(=O)C2CCN(C(=O)c3ccc4nnc(C)n4c3)CC2)c1 2332239176 ZOEOAQLSNPVBTL-PMERELPUSA-N 445.570 2.950 0 50 IFAA CCNC(=O)C[C@H]1C(=O)N(c2ccc(C)cc2)C(=O)N1Cc1ccc(OC)c(OC)c1 1127947 XGEAEVRDBDLDAH-SFHVURJKSA-N 425.485 2.876 0 50 IFAA O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NC[C@@H]1CCCO1 2875526 AMCPVUKZKCWNCH-IBGZPJMESA-N 430.526 2.502 0 50 IFAA O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccn2)CC1 4034827 OGUHZBZEVODPDF-UHFFFAOYSA-N 436.537 2.523 0 50 IFAA CN(C)CCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccccc2)C1 14747068 MZGCPPJLCDHXSP-VQTJNVASSA-N 426.536 2.580 0 50 IFAA O=C1CN(C(=O)[C@H]2CCOC2)C[C@@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14752426 NBAWQCXCUHNOIL-GMAHTHKFSA-N 440.515 2.661 0 50 IFAA O=C(NCCCN1CCOCC1)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 20454506 MDKLZOZPCUYLQR-UHFFFAOYSA-N 438.557 2.720 0 50 IFAA CC(=O)N1CCCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)CC1 20537641 BXSIJHRLGDYSLB-UHFFFAOYSA-N 439.585 2.765 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNC3(c4ccccc4)CC3)cc2OC)CC1 23361348 HBEGFPKICMDLAN-QHCPKHFHSA-N 439.600 2.851 0 50 IFAA CCOC(=O)c1c(CC(C)C)csc1NC(=O)CN(C)[C@@H]1CCC[C@H]1S(C)(=O)=O 241439850 NMTXQZCODOMEJM-HZPDHXFCSA-N 444.619 2.959 0 50 IFAA O=C(NC[C@@H]1CCC2(CCN(C(=O)CCn3cnc4ccccc43)CC2)O1)c1ccco1 952987487 DWBYAMJYCOPBAO-SFHVURJKSA-N 436.512 2.990 0 50 IFAA CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)c1 1320934185 UTMKRMIBJPSFIA-UHFFFAOYSA-N 434.533 2.722 0 50 IFAA Cc1oc(C)c(S(=O)(=O)N2CCc3ccccc3C2)c1C(=O)NC[C@H]1CCCCN1 1875305522 VJUZFOHOCFIMNX-LJQANCHMSA-N 431.558 2.515 0 50 IFAA Cc1nn2cc(S(=O)(=O)N[C@H](c3ccc(F)cc3)c3ccn(C)n3)cnc2c1Cl 2325722345 QWVRNBOSGABOSZ-QGZVFWFLSA-N 434.884 2.632 0 50 IFAA C[C@@H]1CCC[C@H](CC(=O)N=[S@]2(=O)CCCN(C(=O)Cn3nnc4c3CCCC4)CC2)C1 2332238692 HWQSLCZJIPRJQX-QSDPREHASA-N 449.621 2.600 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](C)n3nc(C)c(Cl)c3C)CC2)cc1 10233283 AOBAPUJDCGUCGA-HNNXBMFYSA-N 438.981 2.946 0 50 IFAA CO[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)C1 12159860 CMHPTWFDODBOSN-NBGIEHNGSA-N 435.524 2.614 0 50 IFAA CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N2CCOc3ccccc3C2)CC1 15080648 LBVODNLBWPNLLV-UHFFFAOYSA-N 430.526 2.524 0 50 IFAA COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c(C)c1C 20912945 RKTYCODTUIGACX-SFHVURJKSA-N 434.544 2.848 0 50 IFAA Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1 35655394 RDSGAWVEZPQCMZ-UHFFFAOYSA-N 431.544 2.852 0 50 IFAA CSCC[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)n1c(O)nc2ccccc2c1=O 888088926 XWKIEHVJDKOHKX-REDKUUPNSA-N 431.558 2.550 0 50 IFAA O=C(NCCC1=CCNCC1)N1CC[C@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1 952894555 RQFDCAOVAXQJME-IBGZPJMESA-N 436.438 2.657 0 50 IFAA COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)C1CN(C(=O)OCc2ccccc2)C1 1875358329 RFZJNNCHMGYTQV-HSZRJFAPSA-N 428.460 2.685 0 50 IFAA COC(=O)COc1ccc([C@@H](C)NC(=O)c2cnc(Br)s2)cc1OC 1875405475 GXUANGIWVXNPGM-SECBINFHSA-N 429.292 2.957 0 50 IFAA COCCCn1c(SCc2cc(Cl)n(C)n2)nc2cc(C(=O)OC)ccc2c1=O 2325819577 KCFQEFYWBQTKGW-UHFFFAOYSA-N 436.921 2.899 0 50 IFAA O=C1[C@H](Sc2nnnn2[C@@H]2CCOC2)CCCN1Cc1cccc(C(F)(F)F)c1 2325843322 BKDILTDEJIDYQA-HUUCEWRRSA-N 427.452 2.937 0 50 IFAA Cc1c(-n2nnnc2Sc2cc(=O)oc3ccccc23)c(=O)n(-c2ccccc2)n1C 2325843720 NQVPDBVRMQAWTK-UHFFFAOYSA-N 432.465 2.718 0 50 IFAA CC(=O)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 842690 WAJJSGVFZAAYKC-INIZCTEOSA-N 445.269 2.858 0 50 IFAA CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cc2C[C@H]1C 9396980 MWQCKZUFRYJCPX-DLBZAZTESA-N 447.601 2.643 0 50 IFAA O=C(c1nc2ccc(Cl)cn2c1CNC[C@@H]1COCCO1)N1CCc2ccccc2C1 11664427 RXPHQEOTGKKDNM-LJQANCHMSA-N 440.931 2.691 0 50 IFAA COc1ccc(CCNc2ncnc3sc(C(=O)NC[C@@H](C)O)c(C)c23)cc1OC 14993506 XXVTYAPLEOTDBK-GFCCVEGCSA-N 430.530 2.782 0 50 IFAA CC1=C(C)C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@@H](C(=O)O)C1 19645496 VCRBEMFPSXYYNR-KBPBESRZSA-N 446.978 2.682 0 50 IFAA CSc1cccc(NC(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1 72139278 IMBKWYVXTAJUQD-UHFFFAOYSA-N 428.562 2.698 0 50 IFAA Cc1cccc([C@H](CNS(=O)(=O)c2cnn(-c3ccccc3)c2)N2CCOCC2)c1 109353284 ZBUNUWUDCIVCHY-QFIPXVFZSA-N 426.542 2.533 0 50 IFAA COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC(C)C)CC4)c3CO2)cc1 169758861 KBOHLJWRTPPELH-NRFANRHFSA-N 440.544 2.788 0 50 IFAA O=C(NCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 239310295 IHTKLVMKCOTJQU-CLZKWMEGSA-N 426.516 2.967 0 50 IFAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 239439105 ZKXHQSHCOVDPJB-APNJTCTJSA-N 434.398 2.692 0 50 IFAA CC(=O)N1CCc2cc(C(=O)NC[C@@H](CO)Cc3cccc(Br)c3)ccc21 430152987 URWAIXBZPAYKLF-INIZCTEOSA-N 431.330 2.939 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 6353905 VWSRTAMLXLLJBF-XGHXRCDJSA-N 439.924 2.847 0 50 IFAA COc1ccc(Br)cc1CN1CCN(S(=O)(=O)c2ccccc2)CC1 19789399 CVTOXLSHMJVWEY-UHFFFAOYSA-N 425.348 2.964 0 50 IFAA CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2nc3nc(C)cc(C)n3n2)CC1 109983697 IKYVINWPOPTACM-INIZCTEOSA-N 425.512 2.513 0 50 IFAA Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N[C@H]2Cc3cccc(O)c3C2)c(C)c1C 170613625 YEXWTKRTWFCJOU-IBGZPJMESA-N 430.570 2.886 0 50 IFAA CSCC[C@@H](NC(=O)CCCc1nc(=O)c2ccccc2[nH]1)c1nnc2ccccn12 206229622 KLVHARQYJQNEIV-QGZVFWFLSA-N 436.541 2.899 0 50 IFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@@]16CCN(Cc1ccccc1)CC[C@@]56[C@@H]2[C@@H]43 253616564 CKKYAHQBURBLEC-FICZZRMNSA-N 438.531 2.685 0 50 IFAA CCOC(=O)c1c[nH]nc1S(=O)(=O)Oc1cccc2ccc(N3CCCCC3)nc12 751044510 SPWNLTUQLFHAGJ-UHFFFAOYSA-N 430.486 2.893 0 50 IFAA COCCn1ccc(NC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)n1 788001571 LAAGUIUOCSVCMA-UHFFFAOYSA-N 428.411 2.944 0 50 IFAA Cc1nc(CN2CC3(CCN(C(=O)c4cnn(C(C)C)c4)CC3)OCCC2=O)sc1C 1704316315 MLISQFOBGXTWSZ-UHFFFAOYSA-N 445.589 2.961 0 50 IFAA CSCC(=O)N1C[C@H]2CN(c3nc(C(N)=O)cs3)C[C@@]2(CCc2ccccc2)C1 1772807784 AQMOEYYGIFDVHB-HRAATJIYSA-N 430.599 2.503 0 50 IFAA C=CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 1875371885 OWYYPFCXNFHMPV-MAUKXSAKSA-N 448.361 2.794 0 50 IFAA CN1CCN(c2ccccc2NC(=O)C(=O)NCc2cccc(-c3ccccn3)c2)CC1 2325748587 SOMLJCQPVYINSZ-UHFFFAOYSA-N 429.524 2.755 0 50 IFAA O=C1CC[C@H](N2Cc3ccc(C(=O)N4CC5(CCC5)c5c(F)cccc54)cc3C2=O)C(=O)N1 2325887020 QTELMEWNRKCTSB-IBGZPJMESA-N 447.466 2.669 0 50 IFAA COc1ccc(OC)c(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 8396962 TYSZFCDLWPQZGS-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)c1ccnc(Cl)c1)CC2 11788578 KOTMNNFDENBXOD-GOSISDBHSA-N 442.907 2.745 0 50 IFAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNC2(c3ccccc3)CC2)c1 12386671 BIRUAVNBOGNHHB-QFIPXVFZSA-N 426.557 2.671 0 50 IFAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1cccnc1SC)CC2 14534902 TUMSVUUIAIHEML-UHFFFAOYSA-N 437.525 2.819 0 50 IFAA COc1cc(/C=C/CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)ccc1O 14952701 IXLZQECDNSCBIH-UEKDZROGSA-N 427.549 2.787 0 50 IFAA O=C(c1ccc(CN2CCCCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 17053226 RRPIEGHCLNMQEZ-UHFFFAOYSA-N 427.570 2.819 0 50 IFAA COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c(C)c3C)C[C@H]2C)cn1 115323749 JDHHLKZLNWGAAV-MRXNPFEDSA-N 432.528 2.976 0 50 IFAA Cc1ccc(CNC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)cc1 169764808 JAQVTJRQRDNYKZ-HXUWFJFHSA-N 425.872 2.842 0 50 IFAA COc1ccc(CNC(=O)CN2C(=O)N[C@@H](c3ccccc3Cl)C3=C2COC3=O)cc1 169780813 UOXCFBRFTTYCIZ-FQEVSTJZSA-N 441.871 2.542 0 50 IFAA C[C@@H](NC(=O)CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O)c1ccc2ccccc2c1 225485971 RYGPIHLKNPFMML-MRXNPFEDSA-N 437.496 2.625 0 50 IFAA COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc(OCc2ccccc2)cc1 226849909 LNRRHEGBTGNKRX-CTVDGRRTSA-N 426.465 2.651 0 50 IFAA Cc1ccc(S[C@H](C)C(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)cc1 952972379 PDBQCRRQUBRLEX-GOSISDBHSA-N 425.620 2.741 0 50 IFAA Cc1cc(CN2CC3(CCN(c4nc(C)c5c(n4)CCCC5)CC3)OCCC2=O)on1 1857734894 XKDJKZYJUKTLQG-UHFFFAOYSA-N 425.533 2.748 0 50 IFAA O=C(NCC1(CNC(=O)c2ncc3ccccn23)CC12CCC2)c1ncc2ccccn12 2325816937 UQTAQFKCXGFGJP-UHFFFAOYSA-N 428.496 2.702 0 50 IFAA O=C(COc1cc(Cl)cc(Cl)c1)N1C[C@@H](O)[C@H](NC(=O)[C@]23CCCC[C@H]2C3)C1 2325832785 QUKYGQYPWRRBKA-MYEBOKNISA-N 427.328 2.640 0 50 IFAA Cc1cc(C(=O)N[C@@H]2CCOC3(CCS(=O)(=NC(=O)[C@@H]4[C@H]5CCC[C@H]54)CC3)C2)ccn1 2332238248 JAEXKGSNCUWWRT-IZZGYGGZSA-N 445.585 2.872 0 50 IFAA CC1=NO[C@H](C(=O)N=S2(=O)C[C@H]3C[C@@H](CN(C(=O)c4ccc(C(F)F)cc4)C3)C2)C1 2332238292 KGABTUWVOYWBEX-ZQIUZPCESA-N 439.484 2.876 0 50 IFAA COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 1079027 BOLDRPCDTVLVBE-UHFFFAOYSA-N 425.514 2.527 0 50 IFAA Cn1ncc(I)c1C(=O)Nc1ccn(Cc2cccc(F)c2)n1 2786167 YNTQOPNNAJSSTM-UHFFFAOYSA-N 425.205 2.661 0 50 IFAA COCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 6904465 BFWJKTKUPYNIBA-UHFFFAOYSA-N 426.922 2.697 0 50 IFAA COc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1S(=O)(=O)N1CCOCC1 9469873 IFXCVBOQNYHBMX-UHFFFAOYSA-N 441.509 2.759 0 50 IFAA CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC)cc3)[C@@H](C)C2)cc1 11566449 XAZCFDAXXROPBI-KRWDZBQOSA-N 436.599 2.895 0 50 IFAA CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCNCCCCN 13492674 YKCMCIWNASWOOP-QFIPXVFZSA-N 434.625 2.615 0 50 IFAA biogenic,in-vitro COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(C1CCSCC1)CC2 14748131 GXQAAITXRCZEHJ-UHFFFAOYSA-N 431.602 2.870 0 50 IFAA Cc1ccc(OCCN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)cc1 55098764 PXODAGOJRKGWBU-HXUWFJFHSA-N 431.483 2.501 0 50 IFAA CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H](C[S@](C)=O)c1ccccc1)c1cnn(C)c1 170600268 FCAVROKCEVKNSG-ITYGUNAYSA-N 434.562 2.564 0 50 IFAA COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2CCCN21 247988163 ZPKGMTPGTKOPNI-GKAYAJSDSA-N 437.883 2.780 0 50 IFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 409413038 AHHVMYRUENLJJI-GHTZIAJQSA-N 428.581 2.780 0 50 IFAA biogenic COc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)NCc2ccc(C(N)=O)nc2)c1 767085292 FVFJCODGTYMYJN-JOCHJYFZSA-N 434.496 2.635 0 50 IFAA CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2ccc3cc[nH]c3c2)cc1 2325750270 VFFYWPMHKDZCEL-UHFFFAOYSA-N 428.514 2.613 0 50 IFAA CN(C(=O)OC(C)(C)C)C1CN(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 2325820453 XJCCGMXLIRWEJU-KOMQPUFPSA-N 429.970 2.972 0 50 IFAA CCOc1ccc([C@@H]2C(C(=O)OCCOC)=C(C)N=C3SCCC(=O)N32)cc1OC 2486178 DUYMFUZFVROTLD-LJQANCHMSA-N 434.514 2.934 0 50 IFAA CCCCc1nc(CN2CCC([C@@]3(Cc4ccccc4F)NC(=O)NC3=O)CC2)c[nH]1 11789893 ZXUQHGICACVWAB-HSZRJFAPSA-N 427.524 2.924 0 50 IFAA CN(Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12)[C@@H]1CCOC1 12434152 BGNVXCYPKXXZCG-HXUWFJFHSA-N 425.577 2.646 0 50 IFAA Cc1ncn(-c2cc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)ncn2)c1C 72442357 FHTLYTVCESTCPG-UHFFFAOYSA-N 426.908 2.660 0 50 IFAA CCCCOc1ccc(C(=O)NCC(=O)NCc2ncn(Cc3cccc(F)c3)n2)cc1 170602402 LHYYROWXMNZALR-UHFFFAOYSA-N 439.491 2.691 0 50 IFAA CC(C)=CC(=O)N1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N([C@H]3CCOC3)C2=O)CC1 299765920 ZOYKSLOISQDFIU-GBXCKJPGSA-N 443.519 2.653 0 50 IFAA COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 409413040 AHHVMYRUENLJJI-RXVVDRJESA-N 428.581 2.780 0 50 IFAA Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)C1 495182864 IFZGAIBBGWMZPX-HSXFLVAPSA-N 425.548 2.911 0 50 IFAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(COc4ccccc4Cl)nn23)C1 951726675 INVQSOZTGIPQDR-LLVKDONJSA-N 427.939 2.557 0 50 IFAA C[C@H]1N(C(=O)c2nnc3n2CCCC3)CCC[C@@]12CCCN(Cc1nccs1)C2=O 1940197697 KDSVCJDMUCSQRM-VFNWGFHPSA-N 428.562 2.504 0 50 IFAA O=C(NC1CC(NC(=O)c2nn(C(F)F)cc2Cl)C1)c1nn(C(F)F)cc1Cl 2325735547 LAFOKFHCGVTAML-UHFFFAOYSA-N 443.188 2.867 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)CCc2cccc(Cl)c2)CC1=O 2325819618 LDQOSOZJAWNYFY-YJBOKZPZSA-N 434.945 2.938 0 50 IFAA CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Cl)N(NC(=O)c2cccc(F)c2)C1=S 1182378 UEEDTDPTNAMYCF-MRXNPFEDSA-N 448.907 2.970 0 50 IFAA CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 5225224 QDNZZJKMKPJBKK-LJQANCHMSA-N 428.510 2.923 0 50 IFAA biogenic C[C@H](NC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1)c1ccccc1 11816434 LSXDFXHFVHPNFM-KRWDZBQOSA-N 431.558 2.827 0 50 IFAA Cc1ccc2occ(CN3CCc4c(c(C(=O)NCc5cccnc5)nn4C)C3)c(=O)c2c1 14743110 ZBPIJUVMUQZVET-UHFFFAOYSA-N 443.507 2.718 0 50 IFAA COc1ccc(CNC23CC4CC(CC(C4)C2)C3)c(OC[C@H](O)CN2CCN(C)CC2)c1 23374183 ARAJWOQHCJQICH-OJNXCIKNSA-N 443.632 2.741 0 50 IFAA C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229751611 UBRFORVCBVBPCG-MUQADHOPSA-N 441.619 2.524 0 50 IFAA CN(C)c1cccc(S(=O)(=O)N(C)C)c1NS(=O)(=O)/C=C/c1ccc(F)cc1 252507237 WFHSSMMUNBZSAJ-OUKQBFOZSA-N 427.523 2.555 0 50 IFAA Cc1ccccc1OCCNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 480834906 VFQALUYEPWYHIQ-UHFFFAOYSA-N 446.573 2.522 0 50 IFAA O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1nc2ccc(Cl)cn2c1F 825577526 GFIRUJKYEYSDIG-UHFFFAOYSA-N 432.839 2.617 0 50 IFAA Cc1ccc(S[C@@H](C)C(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)cc1 952972397 PDBQCRRQUBRLEX-SFHVURJKSA-N 425.620 2.741 0 50 IFAA Cn1nc(-c2cnc(N)c(-c3ccc(C(N)=O)c(F)c3)n2)nc1C1(c2ccccc2)CC1 1772570638 YPTMZNNBDPEMOK-UHFFFAOYSA-N 429.459 2.839 0 50 IFAA COC(=O)c1cnn(C)c1NC(=O)C(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1 2325820487 ZTHDSRDJLFTXHB-UHFFFAOYSA-N 439.299 2.734 0 50 IFAA Cc1c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)n(-c2ccccc2)n1C 1424507 BATVFINKSGZMNW-UHFFFAOYSA-N 448.504 2.785 0 50 IFAA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(c2ccccn2)CC1 8683586 FJLCFAZDVBCLFU-UHFFFAOYSA-N 428.492 2.960 0 50 IFAA COc1cc(CNCc2ccc(Cl)s2)ccc1OC[C@@H](O)CN1CCOCC1 12706943 CAAQCHRDIVXRPM-INIZCTEOSA-N 426.966 2.772 0 50 IFAA Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCN4CCOCC4)c3N2)cc1 13801515 VASYITXAUZGJNA-ROUUACIJSA-N 437.466 2.914 0 50 IFAA CC(C)CC(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2CCCc2ccccc2)C1 14534846 TZUNIDNHCUNKCW-UHFFFAOYSA-N 438.572 2.919 0 50 IFAA CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cnn(C)c1)CC2 14753762 QLMHNMTUIXSBBI-UHFFFAOYSA-N 438.576 2.703 0 50 IFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2OC)CN1Cc1cc(C)ccc1C 14958676 TUCGKUIKEQZGDN-NQIIRXRSSA-N 426.513 2.867 0 50 IFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 19633412 CZUBYMYBCJADSX-UHFFFAOYSA-N 441.383 2.750 0 50 IFAA CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2 20781206 MTFZSGYHNIHHST-QGZVFWFLSA-N 445.511 2.602 0 50 IFAA COc1ccc(CN[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1 96300835 ABICOVPZFGWHHQ-MRXNPFEDSA-N 436.249 2.722 0 50 IFAA COc1ccc(-c2n[nH]cc2CN2CCC3(CC2)C[C@@H]3C(=O)N2CCCN(C)CC2)cc1 299785341 XZZZPFVGOVFFOZ-JOCHJYFZSA-N 437.588 2.852 0 50 IFAA COC(=O)c1cc(S(=O)(=O)NCCNc2ncc(Cl)cc2Cl)cc(F)c1F 760595241 FXTKPXLHUYHPHU-UHFFFAOYSA-N 440.255 2.844 0 50 IFAA COc1cc(-c2onc(N(C)C)c2C(=O)NC[C@@H](O)CN2CCCCCC2)ccc1F 1704307885 LKJKLFWXWRVADE-MRXNPFEDSA-N 434.512 2.522 0 50 IFAA CS(=O)(=O)Nc1cncc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 1875255127 MYHQCHOTQLFDHN-LJQANCHMSA-N 431.539 2.891 0 50 IFAA Cc1cccc(N2CCN(CC[C@H](C)NC(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)c1 2325701907 ZLAGDLGDBXKQTC-VXKWHMMOSA-N 436.604 2.869 0 50 IFAA CCOC(=O)COc1cc(Cl)c([C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1126679 FPOISSUSGYTAGQ-QGZVFWFLSA-N 442.921 2.646 0 50 IFAA O=C(Cn1cc(NC(=O)CSc2ccccc2)cn1)NCc1ccccc1-n1cncn1 12165478 PUNICDAMBCYRKY-UHFFFAOYSA-N 447.524 2.511 0 50 IFAA Cc1nc(CC(=O)N2CCC([C@H](Cc3ccccc3)N(C)C(=O)CN(C)C)CC2)cs1 12450156 SGWNOJSGNNUKFQ-QFIPXVFZSA-N 442.629 2.864 0 50 IFAA COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N4CC[C@H](N(C)C)C4)c3C)nc1-2 14951578 ZDWAFSVEEUPJOH-SFHVURJKSA-N 432.528 2.521 0 50 IFAA COC(=O)c1c(OCCc2cccs2)cc(=O)n2c1CCN(Cc1cccnc1)CC2 23129390 GWQUBVJWWMGLQJ-UHFFFAOYSA-N 439.537 2.771 0 50 IFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 65363805 PBURAFHDBVXAKZ-UHFFFAOYSA-N 434.903 2.768 0 50 IFAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 101328316 NUTXLJRMNAMPLA-DSIZOQBWSA-N 434.286 2.596 0 50 IFAA CN1C[C@@H](CNC(=O)CN2C(=O)COc3cc(Br)ccc32)Cc2ccccc21 170602414 FIJLXKUYQLMJMM-CQSZACIVSA-N 444.329 2.599 0 50 IFAA O=C1O[C@H](C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)Cc2ccccc21 170626746 YHRRBSVHAGAKDG-SJORKVTESA-N 434.370 2.588 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1CCn2cncc2C1 1875288303 WKVPAALTOANBLM-HOTGVXAUSA-N 428.500 2.554 0 50 IFAA O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N1C[C@@H]2CS(=O)(=O)C[C@]2(c2ccccc2)C1 1875328142 ALTDTFDCZTZNJO-YKSBVNFPSA-N 448.548 2.788 0 50 IFAA NCC(=O)N1[C@H](C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)C[C@@H]2CCC[C@@H]21 1875350794 AMYRXYIOXBUUMI-YYWHXJBOSA-N 435.528 2.675 0 50 IFAA COc1ccc([C@H](CC(=O)NCc2cccnc2)c2c(O)nc3ccccn3c2=O)cc1 2049512057 YDMDJGOXLBAVKU-IBGZPJMESA-N 430.464 2.642 0 50 IFAA CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)N=c1[nH]nc(-c2cccc(Br)c2)s1 2325742319 LNEDLJAMMIOJGD-CHWSQXEVSA-N 438.351 2.816 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)C[C@@H]2C[C@@H]2Cc2ccccc2)CC1=O 2325820033 YIBXNTFYTPIUOE-YCZSINBZSA-N 440.565 2.921 0 50 IFAA Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NC(C)(C)CO 1431628 UMLMAGFSDRQOKQ-UHFFFAOYSA-N 425.514 2.611 0 50 IFAA Cc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)nn1Cc1cccc(C(F)(F)F)c1 2728764 KPVFOAWCRFLPCU-UHFFFAOYSA-N 444.479 2.869 0 50 IFAA COc1ccc(OC)c(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)c1 6123191 TYZBLDFGKKMVPJ-UHFFFAOYSA-N 441.509 2.611 0 50 IFAA COc1cc(C[C@@]2(CCC(=O)NCCCOc3cccnc3)CCC(=O)N2)ccc1F 11785628 NXLWQEVHHZDGQF-HSZRJFAPSA-N 429.492 2.786 0 50 IFAA COc1cccc(-n2c(CNC(=O)[C@H]3CCOC(C)(C)C3)nnc2SCCN(C)C)c1 15006066 WSIWNHZUZFLPLP-INIZCTEOSA-N 447.605 2.751 0 50 IFAA CC(C)Cc1ccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 20783478 RDOKXPBQCDIMRU-NRFANRHFSA-N 433.622 2.781 0 50 IFAA O=C(C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)N1CCN(c2ccccc2)CC1 24609812 VEQOSOHHKCSUKL-UHFFFAOYSA-N 445.560 2.716 0 50 IFAA COc1cccc(C[C@]2(CO)CCCN(C(=O)C3(N4CCOCC4)CCCCC3)C2)c1 82039307 ZAAQKBORARPMKS-XMMPIXPASA-N 430.589 2.874 0 50 IFAA CCOc1ccc([C@H]2NC(=O)N(CC(=O)NCCC3=CCCCC3)C3=C2C(=O)OC3)cc1 169760796 PHMIZOZYTWXHDP-JOCHJYFZSA-N 439.512 2.969 0 50 IFAA C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CS(=O)(=O)C[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1C 238899987 HNRQDGHEHSFNCZ-QONVVCGCSA-N 426.623 2.817 0 50 IFAA O=C(Cc1cccc(I)c1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 434055391 XEZSPUBPERYVME-FZMZJTMJSA-N 427.204 2.996 0 50 IFAA Cn1c(C(=O)N2CCCN(S(=O)(=O)N3CCCCC3)CC2)cc2cccc(Cl)c21 952985580 FSWBPCZUAGCEND-UHFFFAOYSA-N 438.981 2.710 0 50 IFAA COC(=O)[C@@H]1CCSC12CN(C(=O)N[C@H](C)c1csc(NC(=O)C(C)(C)C)n1)C2 1875345624 DKQRFAYICYPPCN-NEPJUHHUSA-N 440.591 2.879 0 50 IFAA Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NC(=O)c1ncn2c1COc1ccccc1-2 2325841236 KJMZFAOSFDTNSL-UHFFFAOYSA-N 449.492 2.686 0 50 IFAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 4536452 SWPXBDJUGLEKES-PMACEKPBSA-N 428.485 2.544 0 50 IFAA biogenic,in-vitro COc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)cc1 6924802 GPFDSPMUBJMLOV-CQSZACIVSA-N 448.566 2.805 0 50 IFAA COC(=O)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc([C@@H]3CCCO3)n(C)c12 11789456 ICPBRHDQLPAXRG-SFHVURJKSA-N 442.516 2.846 0 50 IFAA CN(Cc1ccon1)C(=O)[C@@H]1C[C@@H](Sc2nccn2C)CN1Cc1ccc(F)cc1 11910762 WXZMWGYKWWNYMJ-MOPGFXCFSA-N 429.521 2.941 0 50 IFAA O=C1NC(=O)[C@](Cc2ccccc2F)(C2CCN(C(=O)c3ccc(F)cc3F)CC2)N1 12040806 VWJWBHVBGAIXKM-QFIPXVFZSA-N 431.414 2.777 0 50 IFAA O=C(NC[C@@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1)c1ccc2c(c1)OCO2 12447914 JOBFKXSJSIURPS-IBGZPJMESA-N 436.556 2.917 0 50 IFAA O=C(CSc1nc(O)c(C(c2ccccc2)c2ccccc2)c(=O)[nH]1)N1CCOCC1 13570977 HFBADOBKBWFRKA-UHFFFAOYSA-N 437.521 2.607 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccccc1OC 13799100 NFRXXSPDCITWPY-WPNIOXTASA-N 440.546 2.868 0 50 IFAA Cc1ccccc1-n1cc(CNC(=O)C[C@@H]2C(=O)NCCN2C/C=C/c2ccccc2)cn1 55060990 DNMUSEQROJDQDA-QQRRWSATSA-N 443.551 2.701 0 50 IFAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 170602473 UWILMXMAWSKSSP-RBUKOAKNSA-N 446.527 2.810 0 50 IFAA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)c3ccc(NC(C)=O)cc3)CC2)nn1 243956691 CCAOCLFKJPOREJ-KDURUIRLSA-N 426.521 2.632 0 50 IFAA CN(C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 470681143 GWKNOPMBQQIEEY-OAQYLSRUSA-N 427.570 2.864 0 50 IFAA Cc1ccc2c(c1)OCCCn1cc(nn1)COc1ccc(cc1)CN1CC[C@@H](C1)NC2=O 1704317089 FAXDVZHEMLEDOI-FQEVSTJZSA-N 447.539 2.952 0 50 IFAA Cc1ccc(NC(=O)COC(=O)c2ccc(O)c(-c3ccccc3)c2)cc1S(N)(=O)=O 1875264495 VXIAHGGUINGGBH-UHFFFAOYSA-N 440.477 2.811 0 50 IFAA CC(C)(C)C(=O)N1CC[C@@H](CN=c2cc(NC[C@@H]3CCN(C(=O)C(C)(C)C)C3)nc[nH]2)C1 2325736501 CGIQYAAUNYAPJR-ROUUACIJSA-N 444.624 2.512 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1Br 1013329 ZUBOHRDBMLYCIH-UHFFFAOYSA-N 441.347 2.977 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc(Cl)cc2)c(C)c1C 12075883 CHXBUSUQSGLMMC-HXUWFJFHSA-N 429.948 2.972 0 50 IFAA COc1ccc([C@@]2(CC(=O)NCCCOC(C)C)CC(=O)N(C3CCCC3)C2=O)cc1 12098760 NIABCSFVEBRAFL-XMMPIXPASA-N 430.545 2.956 0 50 IFAA O=C(c1nc2ccccn2c1CN1CCC[C@H](CO)C1)N1CCN(C2CCCCC2)CC1 19222130 AJIZJTVBUGMEIZ-FQEVSTJZSA-N 439.604 2.629 0 50 IFAA CC(C)NC(=O)c1cn(CCN2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)nn1 20149499 AYNMRFCEPCWHQK-UHFFFAOYSA-N 432.572 2.901 0 50 IFAA Cc1cccc(C)c1OCCOC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 20500917 GFAPZVUZBPTEKK-QFIPXVFZSA-N 442.556 2.606 0 50 IFAA CCOc1ccc2nc(N3CCC[C@@H](N(C)CCN4CCOCC4)CC3)nc(C)c2c1 23339306 XSJWXLWCYORPAO-HXUWFJFHSA-N 427.593 2.960 0 50 IFAA CN(C)C(=O)CCC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55060867 PFKWBPSAJMWXBQ-LJQANCHMSA-N 440.510 2.687 0 50 IFAA COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CCN(C(C)C)CC4)c3C)ncc1CC2 55344674 ABOHEZSMEKFHMI-UHFFFAOYSA-N 446.555 2.911 0 50 IFAA COc1ccc(-c2nn3c(nc2=O)-c2cc(Cl)ccc2N2C(=O)CC[C@@]23C(=O)O)cc1 170620153 BWJTXOORQRHYRM-OAQYLSRUSA-N 438.827 2.512 0 50 IFAA COc1ccc([C@@H]2N=C3NCN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)cc1OC 245229403 XBEFSQNRRQJJJP-VGOFRKELSA-N 448.527 2.776 0 50 IFAA CC(C)C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 245285868 ZCHUQDGMAGXSQB-BRSBDYLESA-N 444.532 2.700 0 50 IFAA CCC[C@]1(C2CCN(Cc3cccnc3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 299764912 WFHAHICNDFHHDQ-ZJSXRUAMSA-N 427.593 2.869 0 50 IFAA O=S(=O)(N1CCCC1)N1CCCN(Cc2cc(CN3CCCCC3)cs2)CC1 828388701 ZUBQFBGWXSUFIM-UHFFFAOYSA-N 426.652 2.582 0 50 IFAA Cc1cc(C(=O)N[C@@H]2CCOC3(CCS(=O)(=NC(=O)C4[C@@H]5CCC[C@@H]45)CC3)C2)ccn1 2332238250 JAEXKGSNCUWWRT-ZYXHWXOXSA-N 445.585 2.872 0 50 IFAA Cc1csc(C(=O)N=[S@](C)(=O)C2CCN(C(=O)c3ccc4nnc(C)n4c3)CC2)c1 2332239177 ZOEOAQLSNPVBTL-SSEXGKCCSA-N 445.570 2.950 0 50 IFAA c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2 4254214 UNTITLLXXOKDTB-UHFFFAOYSA-N 448.512 2.982 0 50 IFAA in-vitro CCOc1cc(CNCCCN2CCOCC2)ccc1OCC(=O)NC1CCCCC1 4657470 MKYVGUHZQZBZDU-UHFFFAOYSA-N 433.593 2.725 0 50 IFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@@H]2CCNC(C)=O)c1 11758966 BDZCHRNQOZPSHU-LJQANCHMSA-N 445.560 2.606 0 50 IFAA CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1cc2cc(F)ccc2[nH]1 11815110 FQMLZQVEPYXATR-OAQYLSRUSA-N 438.503 2.713 0 50 IFAA CCCc1cc(C(=O)N2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)n(C)n1 11872361 WFMOIYCFCPZRPB-JOCHJYFZSA-N 443.573 2.797 0 50 IFAA O=C(CSc1ccc2ccccc2n1)N1CCN(c2nnnn2-c2ccccc2)CC1 12249938 XWNATXTZRQQWOX-UHFFFAOYSA-N 431.525 2.651 0 50 IFAA CC1=C(C(=O)N(CCCN(C)C)CC2CCN(C3Cc4ccccc4C3)CC2)OCCO1 12709224 COMKXFZXJZYBOF-UHFFFAOYSA-N 441.616 2.924 0 50 IFAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCCCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 18272647 FEERXLCCEREQFW-FPCVCCKLSA-N 425.312 2.802 0 50 IFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)Cc2ccc(F)c(F)c2)CCO3)CC1 19835916 AOTIZHGSTXXXLQ-UHFFFAOYSA-N 443.494 2.593 0 50 IFAA CN(Cc1ccn[nH]1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 19840360 GUZATZHQQVHSIS-QFIPXVFZSA-N 433.512 2.551 0 50 IFAA CSc1ncc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cn1 23368765 QQSOMGKOUKOWPN-IBGZPJMESA-N 440.617 2.935 0 50 IFAA COCCS(=O)(=O)c1ncc(CN(C)[C@@H](C)c2ccccn2)n1Cc1ccccc1 55099900 SLHFMFFGWOYUKQ-SFHVURJKSA-N 428.558 2.940 0 50 IFAA COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N 72318626 QZFHIXARHDBPBY-UHFFFAOYSA-N 426.387 2.558 0 50 IFAA C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC1(c2cccc(F)c2)CCCCC1 170614597 SVZLVFYHCGABKS-JOCHJYFZSA-N 445.535 2.759 0 50 IFAA Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)cc1S(N)(=O)=O 463467336 VISCCYUYSWLONE-CYBMUJFWSA-N 431.543 2.502 0 50 IFAA O=C1CCCN1CC1CCN(C(=O)c2c(N3CCOCC3)noc2-c2ccccc2)CC1 1704338968 AICGTUVQSDCFNC-UHFFFAOYSA-N 438.528 2.653 0 50 IFAA CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@]2(Cc3cccc(Br)c3)CCNC2)C1 2325828568 LEVGGMJZDXUJOY-RXVVDRJESA-N 436.394 2.735 0 50 IFAA C[C@]1(c2ccccc2)CCCCN1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896007 OPHIMELVRUMALI-HFZDXXHNSA-N 445.519 2.989 0 50 IFAA O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O)Nc1ccccc1F 1157136 DCSOZAWQEHRRPW-WJDWOHSUSA-N 431.445 2.930 0 50 IFAA COc1cccc(CN2C(=O)N[C@](C)(C3CCN(C(=O)CC(C)C)CC3)C2=O)c1OC 11880444 UKGCPWAIMJTDHR-HSZRJFAPSA-N 431.533 2.799 0 50 IFAA COc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)c(OC)c1 13402889 SFVPRINPJMQSMK-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA CCn1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)cn1 14959934 GNXWLQJXQFKMMM-QHCPKHFHSA-N 431.540 2.577 0 50 IFAA Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NCC1(S(C)(=O)=O)CC1 225428459 BQJHRMMZILCCDI-UHFFFAOYSA-N 429.464 2.744 0 50 IFAA COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccc4cccnc4c3N1[C@H]2C(=O)C(C)(C)C 245310082 HJLLEAXAUCBGJM-RYLXDESZSA-N 433.508 2.682 0 50 IFAA CCOC(=O)N1CCC(NC2CCN(c3cccc(NS(=O)(=O)CC)c3)CC2)CC1 299785900 OZGMVBQZXQSGHY-UHFFFAOYSA-N 438.594 2.628 0 50 IFAA CO[C@@H]1CC[C@@]2(C(=O)N3CC(F)(CNC(=O)[C@H](C)c4ccc(N(C)C)cc4)C3)CC[C@@H]12 2325839453 UPYJSNZGKQWFTD-QHCFZIRBSA-N 431.552 2.728 0 50 IFAA COc1ccccc1N(CC(=O)Nc1ccccc1C(N)=O)S(=O)(=O)c1ccccc1 1152580 UWZRWQJLMMHNOS-UHFFFAOYSA-N 439.493 2.628 0 50 IFAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc3c(nc2OC)CCC3)CC1 12718951 LARCDFOEYBRIFW-FQEVSTJZSA-N 431.577 2.559 0 50 IFAA Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COC[C@H]2COc3ccccc3O2)CC1 20109696 PZNRZTRXERHAJQ-UXHICEINSA-N 432.948 2.988 0 50 IFAA CSc1nc(C(=O)N2CCOc3ccc(CN4CCN(C(C)=O)CC4)cc3C2)cs1 20785892 QWOJFYULQDSACL-UHFFFAOYSA-N 446.598 2.564 0 50 IFAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCC(=O)N1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 252477339 MIJDJSHUMSGRNQ-KKFDQILXSA-N 429.605 2.816 0 50 IFAA CN1CC[C@@H](NCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)[C@@H]1c1ccccc1 252535850 HANQKENKIZAUFV-GGAORHGYSA-N 438.597 2.849 0 50 IFAA CCO[C@H](C)C(=O)N1CCC[S@@](=O)(=NC(=O)c2csc(-c3ccc(C)o3)n2)CC1 2332238807 MFBHNTLRHNJEPX-ONSXPEOJSA-N 439.559 2.977 0 50 IFAA COC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1 1125403 JUAYANHDMVOVCJ-UHFFFAOYSA-N 429.432 2.846 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1cccs1 15659648 NDOYKVUMWCNHDG-WPNIOXTASA-N 440.546 2.868 0 50 IFAA Cn1c(O)nc2ncc(-c3cccc(C(=O)NC[C@]4(O)[C@H]5[C@H]6C[C@@H]7[C@@H]8[C@H]6[C@H]4[C@@H]8C[C@H]75)c3)cc21 427993101 CWJGKPOCHPDLQT-SRWLADIPSA-N 442.519 2.580 0 50 IFAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1c[nH]c3cc(N4CCOCC4)c(F)cc3c1=O)C2 1704297402 QEFIFEDFWNAISB-ZJSXRUAMSA-N 443.519 2.925 0 50 IFAA COc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2ccc(OC)c(OC)c2)cc1 1133200 IPQUPNAASOMRAQ-KRWDZBQOSA-N 443.525 2.669 0 50 IFAA COc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1OC 9424296 PKPRAHZIOCHMMY-IBGZPJMESA-N 447.553 2.915 0 50 IFAA O=C(Cn1cc(NC(=O)CCOc2ccccc2)cn1)NCc1cccc(-n2cccn2)c1 11783760 IQIONQHRFCBVES-UHFFFAOYSA-N 444.495 2.793 0 50 IFAA CCOC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccc(F)cc1Cl)c(=O)n2C 12410790 LEZFFPLBOLWFHC-UHFFFAOYSA-N 431.851 2.990 0 50 IFAA COCc1c(C(=O)NCCc2ccccn2)cnn1-c1nccc(-c2ccccc2F)n1 12510864 XFFFKZSEKPHESQ-UHFFFAOYSA-N 432.459 2.982 0 50 IFAA CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 13483733 RQTICJLLMIKRQW-LJQANCHMSA-N 436.505 2.715 0 50 IFAA CC(C)c1cc(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@@H](OCc3ccccc3)C2)[nH]n1 14538500 FVNZQOCJZSKHTE-OAQYLSRUSA-N 447.539 2.998 0 50 IFAA CCN(CC)[C@H]1CCN(C(=O)c2cn(CC(C)C)cc(C(=O)NCCC(C)C)c2=O)C1 14963984 NPIGOLMYJOXHAR-IBGZPJMESA-N 432.609 2.837 0 50 IFAA COC(=O)CCCC(=O)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 19607874 RYHJJDIKDOOIQA-JOCHJYFZSA-N 443.588 2.693 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(Br)c3)CC2)cc1 19853725 VOYGBWRUBBWPRQ-UHFFFAOYSA-N 425.348 2.964 0 50 IFAA CN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)S(=O)(=O)c1ccc(Br)cc1 225505101 BCXUQAXXBJWNGF-NSHDSACASA-N 443.285 2.871 0 50 IFAA CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)CN1C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C1=O)C2 239672541 BTTCTZVQXVCUBL-HETCTLSZSA-N 427.501 2.513 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)CC(C)(C)OC)c1 328598306 LBJYYDUNSNQERN-UHFFFAOYSA-N 436.596 2.671 0 50 IFAA O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CC[C@H](N2CCCC2=O)C1 481266029 OJLFSFWWUWCQFE-INIZCTEOSA-N 425.489 2.972 0 50 IFAA Cn1ccnc1[C@H](O)C1CCN(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)CC1 771977220 CRRLQHCHLBHPPM-GOSISDBHSA-N 444.923 2.821 0 50 IFAA COc1ccccc1[C@H]1CCN(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 2325841406 SKHQKFSXKRQWHG-LBPRGKRZSA-N 429.420 2.997 0 50 IFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)[C@H]2CCC(=O)N2)O3)c1 12001231 FMMDFYSOPKYTIB-MAUKXSAKSA-N 430.888 2.723 0 50 IFAA COCCNC(=O)c1ccc(OC2CCN(C3CCN(C(C)=O)CC3)CC2)c(Cl)c1 15068330 BERDZNFXIBRYTQ-UHFFFAOYSA-N 437.968 2.570 0 50 IFAA CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1OC 19850868 SSLWGDKUWZMHJB-UHFFFAOYSA-N 447.557 2.559 0 50 IFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F 55341218 BVEZTHXNZSSIEE-FQEVSTJZSA-N 444.457 2.934 0 50 IFAA COC(=O)C[C@H](c1c(O)ncc(C(=O)OC)c1O)c1coc2ccc(Cl)cc2c1=O 253623986 XVAHQEUYOQSTBD-JTQLQIEISA-N 433.800 2.734 0 50 IFAA biogenic FC(F)(F)[C@]1(c2nc(-c3cccnc3)no2)CCN(Cc2nc3c(s2)CNCC3)C1 952894662 TZGHNUHXSAQZHD-GOSISDBHSA-N 436.463 2.940 0 50 IFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)Cn1c(C(C)C)nc2ccccc21 1506418261 VZDLDXDVWUXVEN-MRXNPFEDSA-N 429.546 2.971 0 50 IFAA O=C(c1csc(-c2ncccn2)n1)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 1857739633 YCFWFTSJPLQUIJ-JKSBSHDWSA-N 433.493 2.515 0 50 IFAA COc1ccc(Cl)cc1N1C(=O)C(=CN[C@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 2082927045 ZEOGUKMKGRHJSY-AWEZNQCLSA-N 446.912 2.653 0 50 IFAA CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(I)cc1 705218 UNYRCQYKEAODQZ-QWHCGFSZSA-N 432.258 2.600 0 50 IFAA O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1ccc2c(c1)OCCO2 804910 TYBDLUPUOSPNGT-UHFFFAOYSA-N 432.498 2.696 0 50 IFAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(I)ccc1OC 1074619 QCTGLWAKBIXZFT-AWEZNQCLSA-N 430.242 2.833 0 50 IFAA NC(=O)c1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 1162522 BKERTYPLKQHGAJ-UHFFFAOYSA-N 433.505 2.887 0 50 IFAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9714589 ZUMHFSZUTLSODV-UHFFFAOYSA-N 427.482 2.923 0 50 IFAA Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 11870795 WVCSYTUACGTPIO-LADGPHEKSA-N 432.528 2.967 0 50 IFAA COc1cccc(C[C@@]2(CCC(=O)NCCc3cn4ccsc4n3)CCC(=O)N2)c1 12240179 PTPBZOQENHUMMR-JOCHJYFZSA-N 426.542 2.735 0 50 IFAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 12754452 DHUBCYCSNVQPNQ-FQEVSTJZSA-N 429.561 2.972 0 50 IFAA CCn1cc(CN2CC(=O)N(C(C)C)C[C@@H](OCc3cc(OC)cc(OC)c3)C2)c(C)n1 14745078 ZPPVEEIDIUPWSE-QHCPKHFHSA-N 444.576 2.867 0 50 IFAA COc1ccc2c(c1)O[C@H](C)CN(CCC(=O)N1CCC(N3CCSCC3)CC1)C2 15071200 LEWHCYCLQODYHC-GOSISDBHSA-N 433.618 2.708 0 50 IFAA O=C(c1cncs1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H]1CCCO1 19813033 HNDOIVBGLMOPBM-HXUWFJFHSA-N 431.558 2.676 0 50 IFAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)nn2)n1 67621382 UYRBPVBQPHQJPJ-UHFFFAOYSA-N 446.483 2.713 0 50 IFAA COC(=O)[C@H](NC(=O)c1cn(-c2cc(OC)ccc2OC)c(=O)c2ccccc12)C(C)C 252491314 LLWVNPOZDPPSNC-OAQYLSRUSA-N 438.480 2.935 0 50 IFAA CS(=O)(=O)c1cccc([C@@H](NC[C@H](O)COCC2CC2)c2ccc(F)c(F)c2)c1 490178739 QMUZUZCFSZGVAI-LAUBAEHRSA-N 425.497 2.835 0 50 IFAA CC1(C)CCC[C@H]1COC(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325886903 NECDKLRCNFRWJS-WMZOPIPTSA-N 427.501 2.500 0 50 IFAA COCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)CC1 12430423 AWDAGSIOJYURLK-RUZDIDTESA-N 449.595 2.894 0 50 IFAA Cc1ccc(N([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)cc1 13896566 ZACCMWDSWPDSJN-QGZVFWFLSA-N 442.541 2.586 0 50 IFAA COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(Cl)c1OC 14987735 KFUYKECETQSVBD-CQSZACIVSA-N 435.956 2.840 0 50 IFAA COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 15072335 PKBGLZXFUOVXDA-QFIPXVFZSA-N 426.557 2.671 0 50 IFAA O=C(O[C@H](C(=O)NC1CCCCC1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 15222336 ZZWUKEMQKMEPAB-VQTJNVASSA-N 439.464 2.971 0 50 IFAA CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 20030501 CLZFNDMEJGDKRX-UHFFFAOYSA-N 443.613 2.898 0 50 IFAA COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 36289476 UCBAQBGXLFVDGM-UHFFFAOYSA-N 439.537 2.793 0 50 IFAA O=C(CSCc1cccnc1)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 170593273 AYSJWCGCEXPPNV-LJQANCHMSA-N 431.583 2.698 0 50 IFAA COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCCN21 247988167 ZPKGMTPGTKOPNI-KEXUJGGDSA-N 437.883 2.780 0 50 IFAA O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)C(=O)N[C@@H]1CCCc2c[nH]nc21 484544138 LXLGAGCXEVKJHX-GOSISDBHSA-N 434.452 2.850 0 50 IFAA O=C(N[C@H]1COC[C@H]1Cc1ccnc2ccccc12)C1CCN(C(=O)c2ccccn2)CC1 1704356631 ICOHYXKCRSVWSD-YKSBVNFPSA-N 444.535 2.856 0 50 IFAA COc1cc(OC)c2cc(C(=O)N3C[C@H](C[C@H]4COCC(=O)N4)c4ccccc43)[nH]c2c1 2325826706 JYWUOZLCVAHLSH-GJZGRUSLSA-N 435.480 2.834 0 50 IFAA CC(=O)c1ccc(OCC(=O)N2CCC3(CC2)C[C@H]3C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12512283 KCVFLHDARNNWFN-FVJLSDCUSA-N 428.529 2.533 0 50 IFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCCn4cncn4)C3)C2)c1OC 15063603 GEWMKPSQRACXPC-HSZRJFAPSA-N 427.549 2.590 0 50 IFAA O=C(NCc1nnc2n1CCN(C(=O)Cc1cccc3ccccc13)CC2)c1ccccc1 19745504 RESPUPXOUWDXNQ-UHFFFAOYSA-N 439.519 2.989 0 50 IFAA CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O 25693174 GHEIPEXVLWLMRH-SFTDATJTSA-N 436.512 2.632 0 50 IFAA Cc1ccc(C2=NO[C@@H](CNC(=O)c3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)C2)cc1 225744152 HUDDPHCGUJMMKR-RTBURBONSA-N 447.491 2.693 0 50 IFAA O=C(Cc1sc(N2CCOCC2)nc1-c1ccccc1)NCc1ccc2[nH]c(=O)[nH]c2c1 225806583 XTUFEMKUGKHOSB-UHFFFAOYSA-N 449.536 2.675 0 50 IFAA COC(=O)c1cccc(CN2CCN(C(=O)c3cn4cc(Cl)ccc4n3)CCC2=O)c1 299788153 XEHBERVKMQISDU-UHFFFAOYSA-N 440.887 2.649 0 50 IFAA O=C(CCCn1nnc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 888087834 RDLVOEUEQQBGGJ-VRKOAZSQSA-N 447.583 2.993 0 50 IFAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccc2c(c1)nc(O)n2[C@H]1CC[C@H](O)CC1 1704344496 OSVFXKOONZRZPY-XCJLJZCSSA-N 436.512 2.600 0 50 IFAA C[C@H](COc1cccc(F)c1)NC(=O)C(=O)Nc1cccc(OCCN2CCCC2)c1 2325721566 IRJCXOSBBAYTSQ-QGZVFWFLSA-N 429.492 2.823 0 50 IFAA Cc1cc(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)c2cc(C)cn3ccnc23)c2nccn2c1 2325816699 YXOTUOVXNUGFBB-HDICACEKSA-N 428.496 2.728 0 50 IFAA C[S@](=O)c1nc2ccc(NC(=O)c3cccc(NC(=O)CCn4ccnc4)c3)cc2[nH]1 2325878042 CMMZKMUYDWILRN-HKBQPEDESA-N 436.497 2.778 0 50 IFAA O=C(Nc1ccnn1C1CCN(C(=O)CCCn2cncn2)CC1)c1cccc(F)c1 12209678 GLCPQOLNLSBXCW-UHFFFAOYSA-N 425.468 2.510 0 50 IFAA O=C(COc1ccccc1)Nc1ccc(N2CCC(N[C@H]3CCCCNC3=O)CC2)cc1 12242890 HYFAAPVRPYYWCE-QHCPKHFHSA-N 436.556 2.931 0 50 IFAA CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cn3cc(C)ccc3n2)CC1 12299533 QTMPBEBNCWOPFQ-FQEVSTJZSA-N 425.577 2.876 0 50 IFAA Cc1cc(C)nc(CNC(=O)c2coc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)n1 20452520 QSLAPMAMRRVQCG-RMKNXTFCSA-N 446.555 2.842 0 50 IFAA CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1O 241719790 QPPZFMUEXZZDBD-WFGFEZODSA-N 435.476 2.923 0 50 IFAA CNS(=O)(=O)c1ccc(NCC2(c3cccc(Br)c3)CCOCC2)nc1 301280675 XPLNEQYWRXTHBC-UHFFFAOYSA-N 440.363 2.913 0 50 IFAA O=C(O)CC[C@]12CCC(=O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccc(F)cc3)nn12 408525830 SPYWAXJVUZUZRL-JOCHJYFZSA-N 438.390 2.909 0 50 IFAA Cc1ccc(CC(=O)N[C@]2(C)CCOC3(CCN(C4CCSCC4)CC3)[C@H]2O)cc1 1772712159 IUDSIJUGNXTHCH-XZOQPEGZSA-N 432.630 2.924 0 50 IFAA Cc1nc2ccc(C(=O)N3CCO[C@@H](CN4CCC(O)CC4)[C@@H]3c3ccccc3)cc2[nH]1 1857732757 FKRPPKSBTKWYOI-ZEQRLZLVSA-N 434.540 2.910 0 50 IFAA Cc1ccc(-c2cc(C(=O)N3CCC[C@]4(C3)NC(=O)NC4=O)c3c(C)noc3n2)c(C)c1 1875265474 KQGLJJDUFIOSJV-HSZRJFAPSA-N 433.468 2.629 0 50 IFAA CC[C@@H](C)n1cnc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C(C)C)ccc2C)c1 2325739314 GJYBQTBWSSCTOB-OAHLLOKOSA-N 428.580 2.992 0 50 IFAA CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2OC)no1 8587226 KRORPRCHVPNCEY-UHFFFAOYSA-N 428.514 2.819 0 50 IFAA O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697603 FPQSQBYACBMKQA-UHFFFAOYSA-N 430.921 2.780 0 50 IFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2nc3ccccc3s2)c1=O 12034483 MSHQGJDWEKGQLN-UHFFFAOYSA-N 446.532 2.990 0 50 IFAA Cc1nnsc1C(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 12297917 IVJVMMXZLKXKRO-HXUWFJFHSA-N 441.601 2.870 0 50 IFAA COC1CCN(C(=O)C[C@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)CC1 12836917 QLQANPYXJIXHLC-DEOSSOPVSA-N 435.568 2.646 0 50 IFAA CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cc(-c3ccccc3)on1)C2 14536663 XMQKZPAXNPDPSD-SFHVURJKSA-N 435.528 2.678 0 50 IFAA CCOC(=O)Cn1cnc2c(N(C(=O)c3ccccc3)C(=O)c3ccccc3)ncnc21 217083692 CSFPBRCKLVXRMZ-UHFFFAOYSA-N 429.436 2.877 0 50 IFAA CC[C@@H]1CN(CC(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)Cc2cc(OC)ccc2O1 299789795 ADTOCOHFBKCQSY-IEBWSBKVSA-N 440.544 2.523 0 50 IFAA COc1cccc([C@@H]2CCN(C(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)C2)c1OC 1506398706 RTEVMZVEJAJYFX-QGZVFWFLSA-N 432.542 2.794 0 50 IFAA Cn1cc(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)cn1 1857699805 ZACAHSNPKWYFKL-FQEVSTJZSA-N 432.590 2.681 0 50 IFAA C=CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)C[C@H]1c1cnn(C)c1 1875383108 GXYORFDZNJLJOK-FUHWJXTLSA-N 425.876 2.639 0 50 IFAA COc1ccc([C@@H](CC(=O)NCCc2ccncc2)c2c(O)nc3ccccn3c2=O)cc1 2049512036 OQEAIMUGULCOLS-HXUWFJFHSA-N 444.491 2.685 0 50 IFAA COc1ccccc1N1CCN(C(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1 2871360 NOWFVFAMMOMOLZ-SFHVURJKSA-N 431.558 2.507 0 50 IFAA COC(=O)[C@H]1CCCCN1Cc1nc(N2CCCN(C(C)=O)CC2)c2cccc(C)c2n1 11998256 WTTKFZQKQFUIQV-HXUWFJFHSA-N 439.560 2.524 0 50 IFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCC[C@@H](CCCO)C3)cc2)CC1 12459342 JRWPANVLTOBKGI-IBGZPJMESA-N 432.561 2.718 0 50 IFAA CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 252584932 DWKSDJRENMWCDE-IOMROCGXSA-N 427.545 2.729 0 50 IFAA CCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(OC)cc2)C3)CC1 263619420 YPJDCBZAVMKLKI-FQEVSTJZSA-N 426.517 2.542 0 50 IFAA O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 1875253194 QMCXVGJZOXYSFF-ONTIZHBOSA-N 443.503 2.924 0 50 IFAA COc1ccc(C(=O)Nn2c(SCC(=O)N3CCCC3)nc3ccccc3c2=O)cc1 1113478 RMZOQAHWFSRKHL-UHFFFAOYSA-N 438.509 2.504 0 50 IFAA COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1 2836887 VUHMWKQAAZXECQ-UHFFFAOYSA-N 439.497 2.958 0 50 IFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)Cn2cncn2)O3)c1 14995991 WCRUKGLJMJPOSL-MRXNPFEDSA-N 428.876 2.736 0 50 IFAA O=C1Nc2c(-c3ccccc3)cnn2C[C@H]1CC(=O)N1CCN(c2ccccc2F)CC1 16648480 OCMOVWWTLGBNTC-GOSISDBHSA-N 433.487 2.996 0 50 IFAA CSc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1C(=O)N1CCOCC1 16648903 JLBANQHPITZONW-UHFFFAOYSA-N 434.539 2.884 0 50 IFAA COCCCNC(=O)[C@@H](O[C@@H](C(=O)NCCCOC)c1ccccc1)c1ccccc1 71769661 DSGZECHHOYTDCO-SZPZYZBQSA-N 428.529 2.791 0 50 IFAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)[C@H]1CS(=O)(=O)C[C@@H]1O 206132171 QUKCUVHKRJXKKR-SFTDATJTSA-N 447.507 2.716 0 50 IFAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 229425350 DOZZAWFIPAPCLJ-FLXNLOQFSA-N 435.409 2.779 0 50 IFAA C[C@H](NC(=O)C[C@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1)[C@H](C)N1CCOCC1 253420122 FWAPOQRISJRFJB-TWOQFEAHSA-N 444.403 2.982 0 50 IFAA CC(C)(NC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cc1)c1ccccc1 408521291 OLJWKWGXLBXANO-RGBOINFLSA-N 440.565 2.742 0 50 IFAA COCc1nnc(N2C[C@@H](C(=O)NCc3cc(Cl)ccc3OC(C)C)CC2=O)s1 1857738444 HVPVHTIFXVIWGB-ZDUSSCGKSA-N 438.937 2.794 0 50 IFAA Cn1cc(CNC(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c(C(F)F)n1 1875302052 YLUBVFOYWYZBPL-ZDUSSCGKSA-N 447.364 2.861 0 50 IFAA COc1ccc([C@H](OC)C(=O)N[C@@H]2CCN(C(=O)c3cnn(CC4CCCC4)c3)C2)cc1 2325828756 QLLYUQAESZIVAY-IRLDBZIGSA-N 440.544 2.800 0 50 IFAA COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)Cn2cnc3ccccc3c2=O)C1 12074672 JFCSXBKGDJWQCP-FQEVSTJZSA-N 448.567 2.818 0 50 IFAA C[C@@H](C(=O)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1)n1cnc2ccccc21 12435387 JJIQXDNVYIRZIW-IBGZPJMESA-N 437.588 2.923 0 50 IFAA COC(=O)c1cc(CNC(=O)Cn2nc(C)nc2C)cc(NC(=O)/C=C/c2ccccc2)c1 14951910 PWBRXMFYVLANJX-MDZDMXLPSA-N 447.495 2.650 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)NCc1ccc(C(F)(F)F)cc1F 19114418 SJYXPDAAZVNTKV-LJQANCHMSA-N 437.437 2.894 0 50 IFAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1CCOC 19743931 SJTUVVCUSHQYOA-MRXNPFEDSA-N 431.562 2.579 0 50 IFAA CCCN1CCC(N2C[C@@H](NCc3cccc(C(F)(F)F)c3)C[C@H]2C(=O)NC)CC1 20117928 PXYPRWLLCUQTBS-ICSRJNTNSA-N 426.527 2.858 0 50 IFAA COC(=O)C1(NC(=O)Cn2ncc3c2[C@H](NC(=O)OC(C)(C)C)CCC3)CCCCC1 170595698 VCMBPRAIRDZEAA-MRXNPFEDSA-N 434.537 2.777 0 50 IFAA C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ncc(-c2ccccc2)o1 741314864 RBOBKUMXQGRPPQ-OAHLLOKOSA-N 445.497 2.619 0 50 IFAA C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 1295396869 DVXAHOCYJMPQBK-CZAAIQMYSA-N 430.476 2.792 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc(CC(C)C)no2)C1 1857688109 UJHJGQQVNPAEMO-NHCICSSKSA-N 432.609 2.702 0 50 IFAA Cc1nc(-c2cccc(CNC(=O)Nc3ccc(CC(=O)N4CCOCC4)cc3)c2)n[nH]1 1875253713 KZIUPCQORCVPSV-UHFFFAOYSA-N 434.500 2.503 0 50 IFAA COCCOc1ccccc1-c1nc([C@@H]2CC(C)(C)CN2C)n(-c2nc(C)nn2C)n1 1875348211 JIBLOYDIFVOFRR-KRWDZBQOSA-N 425.537 2.799 0 50 IFAA COc1cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC 881691 OYJBONAPHJWCIG-UHFFFAOYSA-N 431.514 2.676 0 50 IFAA Cc1ncc2c(c1CNS(C)(=O)=O)CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 11785682 HLLRINRIHMIKBC-UHFFFAOYSA-N 427.448 2.657 0 50 IFAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(C(=O)c1csc(C)n1)CC2 14743101 DQHPSHUZHCZYSJ-UHFFFAOYSA-N 439.541 2.653 0 50 IFAA O=C(CN1Cc2ccccc2O[C@@H](c2ccsc2)C1)N1CCN(c2ncccn2)CC1 39356816 FIQDOFJXOIODFG-OAQYLSRUSA-N 435.553 2.823 0 50 IFAA COCCCNC(=O)[C@@H](O[C@H](C(=O)NCCCOC)c1ccccc1)c1ccccc1 71769662 DSGZECHHOYTDCO-VXKWHMMOSA-N 428.529 2.791 0 50 IFAA COc1ccc(C(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)cc1OC 72434188 WUHLBCJNJPWXOS-UHFFFAOYSA-N 434.500 2.903 0 50 IFAA COc1cccc(CNC(=O)CN2C(=O)N[C@H](c3ccc(Cl)cc3)C3=C2COC3=O)c1 169757887 POZVNTADTMOPIF-HXUWFJFHSA-N 441.871 2.542 0 50 IFAA O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 206240247 IDUYCISVGMIXDV-HXUWFJFHSA-N 443.463 2.821 0 50 IFAA O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 247812568 BDSKBRPHWHGMNR-FGTMMUONSA-N 433.574 2.567 0 50 IFAA CCOC(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C[C@@]34C=C[C@H]2O4)c1 252431017 YIZDFQHPOKSVMG-QDMVCWPOSA-N 448.475 2.797 0 50 IFAA COc1ccc2[nH]cc(CCNC(=O)C[C@H]3N=C(O)N(CCc4ccccc4)C3=O)c2c1 252553235 VIJLFKWHLGGNDE-OAQYLSRUSA-N 434.496 2.593 0 50 IFAA Cc1ccc(NC(=O)C[C@H]2Cc3c(n(Cc4ccccc4)c(O)nc3=O)NC2=O)cc1C 253537596 SPBXVLBNKPGCCH-QGZVFWFLSA-N 432.480 2.754 0 50 IFAA COc1ccc(CN2CCN(Cc3cc(OC)c4c(c3)OCO4)C[C@H]2CCO)cc1C 257371908 DANNLGWIJHKEOP-HXUWFJFHSA-N 428.529 2.810 0 50 IFAA C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](n2cc(C(=O)NCCO)nn2)CC1 257372115 XYHQDTKDOWPZQI-OLMNPRSZSA-N 439.482 2.724 0 50 IFAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1cc3ccccc3o1)CCCC(=O)NCCO2 1857689171 MVUOUSPBABYEQD-UHFFFAOYSA-N 449.507 2.902 0 50 IFAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)[C@@H]1CCc3ccccc31)CCCC(=O)NCCO2 1857698790 IHITWVJISIJHKK-OAQYLSRUSA-N 449.551 2.572 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1CCc2cncn2C1 1875288113 NQUVKCDYXSMNRX-HOTGVXAUSA-N 428.500 2.554 0 50 IFAA O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)N[C@@H](CO)Cc1cccs1 1875326830 OHORUEBSOYRPDX-LJQANCHMSA-N 428.558 2.760 0 50 IFAA COc1ccc(-c2noc(CN=c3ccn(C4CN(C(=O)OC(C)(C)C)C4)[nH]3)n2)cc1 1875353339 PKDLDCHNPLUBBH-UHFFFAOYSA-N 426.477 2.768 0 50 IFAA C=CC(=O)N1CCC(C(=O)N=[S@]2(=O)CCOc3ccc(Br)cc32)CC1 1875371919 QCLVEXRIRALOTK-VWLOTQADSA-N 427.320 2.620 0 50 IFAA CCOC(=O)c1n[nH]cc1CN1CCC[C@@](Cc2cccc(OC)c2)(C(=O)OCC)C1 11819954 HUIBRPVAUOTXTH-QHCPKHFHSA-N 429.517 2.983 0 50 IFAA CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)C2=C(C)OCCO2)CC1)c1ccccc1 11957580 NMCQUBIXOULWRU-NRFANRHFSA-N 440.500 2.651 0 50 IFAA Cc1c(CN2C(=O)c3cccc(N4CCN(C(=O)CC(C)(C)C)CC4)c3C2=O)cnn1C 14887901 SMBVBCYCRVIDDJ-UHFFFAOYSA-N 437.544 2.610 0 50 IFAA O=C(NCCCN1CCN(CCCNC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 19640897 YMCIOPDRYKJDTB-UHFFFAOYSA-N 444.526 2.522 0 50 IFAA CCN1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN(C)Cc3ccccc3)c2)CC1 20536394 DSODQMIMHXMCIX-QHCPKHFHSA-N 427.589 2.704 0 50 IFAA CN(CCN1CCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 39461628 OEOJWRQLJCASMH-DEOSSOPVSA-N 434.584 2.598 0 50 IFAA COC(=O)[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)c1c(C)cccc1C 170597947 VIIVKNIDQOJBOT-HXUWFJFHSA-N 448.541 2.643 0 50 IFAA CC[C@H](C)C(=O)Nc1c(C(=O)OC)n(C[C@H]2CCCO2)c2ncc(N[C@H](C)CO)cc12 244853041 VEEDIMUKVLRSTN-SQWLQELKSA-N 432.521 2.779 0 50 IFAA COc1cccc(C[C@H](C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)n2nnnc2C)c1 467033379 MEXNBWARYDKMJQ-JWNTYJGQSA-N 434.544 2.553 0 50 IFAA COc1cccc(CN2C[C@H]3CN(S(=O)(=O)c4ccc(Cl)s4)C[C@]3(CO)C2)c1 1772808403 PCHDEYDISGTNAL-KXBFYZLASA-N 442.990 2.525 0 50 IFAA O=C(O)c1cncc(-n2cc([C@H](NC(=O)c3cncc(F)c3)c3ccc(F)cc3)nn2)c1 1875324899 NMDVYZLZCUPDTJ-LJQANCHMSA-N 436.378 2.553 0 50 IFAA Cc1noc(C)c1[C@@H](C)C(=O)N=S1(=O)CCC2(CC1)C[C@H](NC(=O)C(C)C)CCO2 2332238412 RZNLFPMYYPBXSI-BGESHOSZSA-N 439.578 2.873 0 50 IFAA O=C(Cn1ccnc1-c1ccccc1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 12317463 CBKBUVCOICZBPX-QGZVFWFLSA-N 444.582 2.829 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(Cl)c(Cl)c1 13566581 HFEZIYOOTNWXBZ-UHFFFAOYSA-N 428.297 2.745 0 50 IFAA O=C1CN(C(=O)c2cncs2)C[C@H](OCc2ccncc2)CN1CCc1ccccc1 14541117 WZHVWCBMEORRBG-HXUWFJFHSA-N 436.537 2.651 0 50 IFAA CC(C)CN1C[C@H](OCc2ccncc2)CN(Cc2cccn2-c2ncccn2)CC1=O 14748516 DFCMACGXKZDXJN-JOCHJYFZSA-N 434.544 2.548 0 50 IFAA COC(=O)c1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(OC)cc2OC)cc1 16393417 YDVITOUPWJTMHD-IBGZPJMESA-N 441.509 2.922 0 50 IFAA C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2 20450402 RNMSZEHWYSKMAR-AWEZNQCLSA-N 435.931 2.733 0 50 IFAA O=C(NCCc1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2)c1ccoc1 23366842 SIDBYTJAFSKDGB-UHFFFAOYSA-N 433.434 2.921 0 50 IFAA O=C(CN1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCN(c2cnccn2)CC1 299772412 WRBJLZPTFRLHSO-QHCPKHFHSA-N 429.524 2.761 0 50 IFAA COc1cccc(S(=O)(=O)NC(=O)CCCCCNC(=O)NC2CCCCC2)c1 734710380 BPCKNQKBFZBMFG-UHFFFAOYSA-N 425.551 2.692 0 50 IFAA Cc1cccc([C@H](NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)C(=O)OC(C)(C)C)c1 1289414335 LXHVVGPVYHOISV-FQEVSTJZSA-N 437.496 2.860 0 50 IFAA O=C(C1CCC(n2cc(-c3cn4ccccc4n3)nn2)CC1)N1CC[C@]2(C1)OC[C@@H]1C[C@@H]12 1875357194 WMBPHZZJSDXWGB-VEEFLLHKSA-N 432.528 2.962 0 50 IFAA CC(C)(CCN1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CCN(c2ccccn2)C1 2325701131 HQQMBPDPFVFZLJ-NRFANRHFSA-N 436.604 2.950 0 50 IFAA COc1ccccc1N1CCN(C(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 2884600 DFCMRXVWXRVQSV-IBGZPJMESA-N 445.585 2.815 0 50 IFAA CN(Cc1nccn1C)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O 11785048 APFICQIPOXPHBZ-HSZRJFAPSA-N 426.492 2.547 0 50 IFAA O=C([C@@H]1CCOC1)N1CCOc2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2C1 11791211 YNXVNGPHRKKLIP-HXUWFJFHSA-N 439.531 2.905 0 50 IFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC3CCCCCC3)N(Cc3ccsc3)C2)nn1 12042334 MWYQLZNNNUCRMB-MJGOQNOKSA-N 431.562 2.781 0 50 IFAA O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 19902773 HDCVTGMPTXIULD-QFIPXVFZSA-N 427.570 2.574 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3c(F)cccc3F)cc2OC)CC1 20993804 FEAVHRADHHWUNP-LJQANCHMSA-N 449.542 2.640 0 50 IFAA C[C@H]1CN(C(=O)c2nc3sccn3c2CNCc2ccc3c(c2)OCO3)C[C@@H](C)O1 20997186 HYXGXBJTVCWTIB-OKILXGFUSA-N 428.514 2.664 0 50 IFAA CS(=O)(=O)c1ncc(CN2CCC(C(=O)c3ccccc3)CC2)n1C[C@@H]1CCCO1 55074081 MOUNSAVZTVCZQS-FQEVSTJZSA-N 431.558 2.561 0 50 IFAA O=C1[C@@H]2[C@@H](C(=O)N1C1CCCCC1)[C@H]1[C@@H]2[C@H]2C=C[C@@H]1[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]21 245231860 KSOCXRSCFJVURG-UROPGOJKSA-N 436.552 2.916 0 50 IFAA COCCn1cc(C(=O)NCC2(c3ccccc3)CCCC2)c(=O)c(C(=O)NC2CC2)c1 299791191 CRSHXBXBRBGRTH-UHFFFAOYSA-N 437.540 2.629 0 50 IFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2ccccc2OC(F)F)C1 495246556 GEUCVVNFQNJCCY-DCMHMLHXSA-N 445.510 2.675 0 50 IFAA C[C@H]1COCCN1c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 737727681 NPGJTGOMKQPSMS-UWJYYQICSA-N 429.542 2.704 0 50 IFAA CCOC(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C 784819118 VIFSNOFBCPBKHF-MAUKXSAKSA-N 447.532 2.954 0 50 IFAA COC(C)(C)c1nsc(N2CCC([S@](C)(=O)=NC(=O)C[C@@H]3CCCO3)CC2)n1 2332239162 YSVKOTOXNGPCIL-OIJAAMDRSA-N 430.596 2.582 0 50 IFAA COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 1059794 OTWDQUXGDFLIEK-UHFFFAOYSA-N 443.504 2.666 0 50 IFAA C[C@@H]1CCc2c(sc(NC(=O)c3c(I)cnn3C)c2C(N)=O)C1 2780883 DSDAXOYCNDQJFV-SSDOTTSWSA-N 444.298 2.562 0 50 IFAA COc1cccc(OC[C@@H](O)CNC(=O)CCN2Cc3cc(Cl)ccc3O[C@H](C)C2)c1 11786447 CTIALYMXHDXQIM-APWZRJJASA-N 448.947 2.878 0 50 IFAA COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(Nc4cccc(OC)c4)CC3)C2=O)cc1 12371600 BLBPLMJXFGFVHR-OAQYLSRUSA-N 437.496 2.690 0 50 IFAA CCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 12650754 VCAYKYGYLKAEML-UHFFFAOYSA-N 439.940 2.839 0 50 IFAA COc1ccc(OC)c(NC(=O)c2c(NC(=O)CN3CCOCC3)sc3c2CCC3)c1 13465527 ZDVYYIMDFDJQLV-UHFFFAOYSA-N 445.541 2.777 0 50 IFAA CSc1nccc(N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)n1 19147381 FFHOTDNRCNJIMO-SFHVURJKSA-N 426.590 2.939 0 50 IFAA O=C(NCCCN1CCOCC1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 23366535 JBBDKLLUYYQUPM-UHFFFAOYSA-N 438.572 2.577 0 50 IFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1Cc1c(F)cccc1F 59322703 DCIOUHBBWPKEHM-KKSFZXQISA-N 440.450 2.696 0 50 IFAA CCOc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2C)nn1 252457457 KNWHDBLCINMCFZ-GARXJVFOSA-N 429.521 2.856 0 50 IFAA O=C(c1cc2ccccc2c(=O)o1)N1CCCN(C(=O)c2cc3ccccc3c(=O)o2)CC1 435705157 HPIWZERAKLMAAU-UHFFFAOYSA-N 444.443 2.888 0 50 IFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1 437465239 ZNFHSPHDPWFGQT-MXVIHJGJSA-N 443.569 2.509 0 50 IFAA Cc1ccc(N2CCC[C@@H]2COC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)nn1 748863239 BLOIAHNBZBCYBF-LJQANCHMSA-N 435.532 2.749 0 50 IFAA COCCNC(=O)c1cnn2c1N[C@H](c1ccc(OC)c(OC)c1)C[C@H]2C(F)(F)F 8926504 HEYBVVWRKFIYPB-BBRMVZONSA-N 428.411 2.937 0 50 IFAA CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1)S(C)(=O)=O 16651538 TXECDNZZNHZAIA-SFHVURJKSA-N 445.541 2.634 0 50 IFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 59749675 HCPHFFSQGRIQBS-UHFFFAOYSA-N 438.594 2.876 0 50 IFAA CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(OC4CCN(C)CC4)cc3)ccc21 67613310 XATDXHYXCCHFCJ-UHFFFAOYSA-N 429.542 2.869 0 50 IFAA CCOC(=O)[C@@H](c1ccc(Br)cc1)N(CCCNS(C)(=O)=O)C(C)C 170607234 RMUOQIJCVSOFKW-MRXNPFEDSA-N 435.384 2.703 0 50 IFAA Cc1ccc(N2C(=O)CC[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)[C@H]2c2cccs2)cc1 240333700 FETRFZDGWQDFIA-KNBMTAEXSA-N 432.567 2.844 0 50 IFAA CCc1ccccc1OCC(=O)NS(=O)(=O)c1cnc(Cl)c(Br)c1 242302414 YSKPQXADMWRJIP-UHFFFAOYSA-N 433.711 2.944 0 50 IFAA Nc1cncc(C(=O)N2CCC3(CC2)CN(C(=O)[C@@H]2CC24CCC4)Cc2ccccc2O3)n1 1875358946 NZESFSDEQAEUQQ-SFHVURJKSA-N 447.539 2.645 0 50 IFAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)Nc4cccc5ccccc45)cc3C2=O)C(=O)N1 2325887007 QBVUEGXMODTNNV-OAQYLSRUSA-N 442.475 2.923 0 50 IFAA O=C(NS(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1)c1ccccc1 806664 OOSQVMRHOCVEPA-HXUWFJFHSA-N 438.461 2.584 0 50 IFAA CC1CCN(C(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)CC1 4435021 LAFOPMHWWXTMBE-UHFFFAOYSA-N 438.937 2.769 0 50 IFAA CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC(=O)OC 8915999 NSZMRYXJRMDULL-LICLKQGHSA-N 428.416 2.869 0 50 IFAA COc1ccc(CCNC(=O)c2cn(C(C)C)cc(C(=O)NC(C)(C)C)c2=O)cc1OC 12219160 XVGHERSBOZOJFA-UHFFFAOYSA-N 443.544 2.947 0 50 IFAA CN(CC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12711596 LUIZBGHMMRKFLE-XMMPIXPASA-N 435.568 2.929 0 50 IFAA COc1cccc(OC[C@@H](O)CNC(=O)c2cn(Cc3cccc4ccccc34)nn2)c1 12746196 FMMZXEYHFROHIH-IBGZPJMESA-N 432.480 2.658 0 50 IFAA COC1CCN(C(=O)C[C@@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)CC1 12836918 QLQANPYXJIXHLC-XMMPIXPASA-N 435.568 2.646 0 50 IFAA CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20419252 YJLKRMZRFBULRE-FQEVSTJZSA-N 426.513 2.566 0 50 IFAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1cc(F)ccc1F 169752341 YLSGSMTZKPSTSW-UHFFFAOYSA-N 428.370 2.711 0 50 IFAA Cc1cc(-c2ccc(OCC(=O)NC[C@H](C)O)c(CN3CCOCC3)c2)c2ccccc2n1 821307117 XIEOLEJKVWGRRT-IBGZPJMESA-N 449.551 2.918 0 50 IFAA O=C1C[C@H](c2c(F)cccc2F)c2c(O)nc(N3CCN(c4ccccn4)CC3)nc2N1 828323305 HBOWARDRUBDPJA-CYBMUJFWSA-N 438.438 2.656 0 50 IFAA Cn1nccc1CCC(=O)NC[C@H]1[C@H]2CN(Cc3ccccc3Cl)C[C@]23CC[C@H]1O3 1857720493 WRNFAYJVLDAETF-KLJZETAQSA-N 428.964 2.802 0 50 IFAA O=C(NC[C@@H]1CCC[C@H]1N1CCCS1(=O)=O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875330805 ZXUOXLOIFUIYLC-XJKSGUPXSA-N 431.480 2.912 0 50 IFAA CN(Cc1ccccc1CNC(=O)c1cncnc1C1CC1)C(=O)c1noc2c1COCC2 1875343683 QTGFVNPQZWVJDO-UHFFFAOYSA-N 447.495 2.617 0 50 IFAA CN(C(=O)c1cnc([C@@H]2CCCO2)s1)C1CC(NC(=O)[C@]2(C)CC(C3CC3)=NO2)C1 2325829456 KMVLEQDRTQDSTC-BHYPFOMUSA-N 432.546 2.659 0 50 IFAA CN1CCN(Cc2nc3ccc(NC(=O)c4ccc5c(c4)SCC(=O)N5)cc3[nH]2)CC1 2325880036 RENQTQMNWNKCOY-UHFFFAOYSA-N 436.541 2.607 0 50 IFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)N2CCN(C)C(=O)[C@@H]2C)c1 12002612 RCDYFHIKHKDKPV-KRWDZBQOSA-N 429.561 2.784 0 50 IFAA COc1ccccc1/C=C/CN1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1 12212733 XTCNLVYWNWWXAP-VMPITWQZSA-N 446.555 2.502 0 50 IFAA CCc1ccc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)N3C2)cc1 14533544 WETCMRXVIDRZMJ-UFYCRDLUSA-N 440.931 2.735 0 50 IFAA COc1cccc(CCC(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)c1 14980187 IREZSFFEOATLLE-LJQANCHMSA-N 427.549 2.829 0 50 IFAA COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N[C@@H](C)CN4CCOCC4)c3n2)cc1 19456341 XPOOYMSVUQUEOF-AWEZNQCLSA-N 445.470 2.793 0 50 IFAA Cc1ccc2nc(CNC3CCN(c4ccc(C(=O)N5CCC[C@H](O)C5)cc4)CC3)cn2c1 299760912 SETITUAKJMMFAB-DEOSSOPVSA-N 447.583 2.998 0 50 IFAA C=CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)cc1 921013188 MKMYBAXBQGTVDA-UHFFFAOYSA-N 433.555 2.636 0 50 IFAA O=C(NCc1cc(F)cc(Br)c1)C(=O)Nc1nnc(-c2ccncc2)s1 1857531321 HSZMMYNKYNFHMW-UHFFFAOYSA-N 436.266 2.757 0 50 IFAA Cc1nnnn1CCC(=O)N1CCCCN2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857688941 RSFAEMTYVPIBGG-JOCHJYFZSA-N 440.592 2.860 0 50 IFAA Cc1ccc(C(=O)N2CCC([S@@](C)(=O)=NC(=O)c3cc4n(n3)CCCO4)CC2)c(F)c1 2332238582 DHSHOKFCPUBORX-WJOKGBTCSA-N 448.520 2.656 0 50 IFAA Cc1ccc(-n2ncc(-c3ccccc3)c2NC(=O)[C@H]2CCc3nn(C)c(=O)n3C2)cc1 2356138801 IJWBJMJRTYVTOH-SFHVURJKSA-N 428.496 2.944 0 50 IFAA CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1 680894 YRZLMZPVQMJPAK-UHFFFAOYSA-N 445.574 2.620 0 50 IFAA COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCOCC4)c3n2)cc1OC 862876 BQTRPBCROYMYDD-UHFFFAOYSA-N 436.390 2.905 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccc2c(c1)OCO2 1078740 PCNWKIRYWUIJQH-UHFFFAOYSA-N 427.276 2.583 0 50 IFAA COc1ccc2c(c1)C[C@H](C(=O)NCCCN1CCN(c3ccc(F)cc3)CC1)CO2 8610509 STTLUJIKMSTCQD-IBGZPJMESA-N 427.520 2.714 0 50 IFAA O=C(C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)N1CCc2ccccc2C1 11763154 KLOBSFMZELRLKO-UHFFFAOYSA-N 430.434 2.944 0 50 IFAA CN(C[C@@H]1COCCO1)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11838289 KBNDZZDZQNTAKA-HXUWFJFHSA-N 436.556 2.723 0 50 IFAA CN1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C1 11911278 NZLGNTQLTBFDFQ-HOCLYGCPSA-N 444.532 2.880 0 50 IFAA COc1ccccc1-n1c(=O)n(CC(=O)N(C)c2ccccc2)c(=O)c2c(C)cc(C)nc21 12446415 XTHOZFYJULTODV-UHFFFAOYSA-N 444.491 2.836 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cnc(SC)nc2)CC1 55035700 FFPDXOIWMBZNCY-UHFFFAOYSA-N 446.573 2.627 0 50 IFAA O=C(CNc1c(Br)cccc1Br)N1CCC2(CC1)OCCO2 170616338 VEEKYTPNWMQJQB-UHFFFAOYSA-N 434.128 2.989 0 50 IFAA COc1ccc(-n2nc(C)c([C@@]3(O)C(=O)Nc4ccc(Br)cc43)c2N)cc1 170625891 JXRWCLAFVRMWOA-LJQANCHMSA-N 429.274 2.722 0 50 IFAA COc1cccc([C@H](CNC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)N(C)C)c1 447125405 MDPJZKCUHOTJGZ-MOPGFXCFSA-N 432.471 2.681 0 50 IFAA Cc1cc(-c2ccc(OCC(=O)NC[C@@H](C)O)c(CN3CCOCC3)c2)c2ccccc2n1 821307125 XIEOLEJKVWGRRT-LJQANCHMSA-N 449.551 2.918 0 50 IFAA Cc1cncc(CC(=O)N2CCC[C@H]([C@H]3CCCN(C(=O)c4cccc(C(N)=O)c4)C3)C2)c1 1875360082 YJTKQHRPDCZZOJ-GOTSBHOMSA-N 448.567 2.822 0 50 IFAA O=C(Cc1csc(-c2cnccn2)n1)N[C@H](C(=O)O)c1csc(Br)c1 2325876341 RPGUFWVOTJDEKZ-ZDUSSCGKSA-N 439.316 2.909 0 50 IFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 706493 UHOGOPMXBVADHU-QFYYESIMSA-N 439.262 2.528 0 50 IFAA biogenic CCC[C@@]1(C2CCN(C(=O)c3cccc(F)c3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O 11783139 XHIVVLNTZSVKJR-XXBNENTESA-N 431.508 2.948 0 50 IFAA O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(C/C=C/c2ccccc2)CC1 12693212 ZTNPIDQXGNHATC-JXMROGBWSA-N 439.581 2.942 0 50 IFAA CCN(c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1)S(C)(=O)=O 16652433 FTQFSUBFGAPWPD-UHFFFAOYSA-N 428.514 2.523 0 50 IFAA C[C@H](NC(=O)c1cccnc1)c1nnc2n1CCN(Cc1c(F)ccc(F)c1F)CC2 20202169 UEBYLQPHIVQJOK-ZDUSSCGKSA-N 430.434 2.640 0 50 IFAA CC(C)[C@H]1CN(C)CCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O 20776938 QVHKVOHANPLPCO-BWKNWUBXSA-N 443.563 2.954 0 50 IFAA O=C(NCCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccco1 20999393 MDGFHGIJMQOSSH-UHFFFAOYSA-N 433.434 2.921 0 50 IFAA COC(=O)CCC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55054188 JEGZGJXGRGZHPU-SFHVURJKSA-N 427.467 2.772 0 50 IFAA COc1cc2nc(-c3cc(F)ccc3O)nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC 58638704 HZASIAXCPXTISQ-NVXWUHKLSA-N 442.491 2.930 0 50 IFAA in-vivo CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=O 167771769 NKWDXXRTRBDFKO-WYIZHRONSA-N 441.505 2.604 0 50 IFAA in-vitro CC(=O)N(CC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)Nc2ccc(F)c(F)c2)CC1 170616782 PXCWTDLZWXMPBO-QGZVFWFLSA-N 439.503 2.948 0 50 IFAA O=c1c(=Cc2ccc(I)cc2)sc2nc(-c3ccccc3)nn12 254783780 WVVCYWDLGMYILW-UHFFFAOYSA-N 431.258 2.970 0 50 IFAA Cn1ncc2c(N3CCN(C(=O)N[C@@H]4CC(C)(C)Oc5cc(F)ccc54)CC3)ncnc21 486466238 JVEAKLZHJYLZSY-QGZVFWFLSA-N 439.495 2.636 0 50 IFAA COc1cccc(-n2nc(C)c([C@H]3COCCN3Cc3ncnn3CC(F)F)c2C)c1 488311368 RRBBLGJJFWJAQO-GOSISDBHSA-N 432.475 2.928 0 50 IFAA O=C(O)CC[C@@]12CN(CCn3cc(Cl)cn3)C[C@H]1CN(Cc1ccncc1Cl)C2 1772813988 DQUCRBLZJUGTAK-JXFKEZNVSA-N 438.359 2.884 0 50 IFAA Cc1cc(Cl)c(NC(=O)Cc2c(C)nc(N3CCCC3)nc2O)cc1OCC(=O)O 1875257302 SJQKFZKKCUFZGG-UHFFFAOYSA-N 434.880 2.697 0 50 IFAA COc1ccc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c(F)c1 2100482644 OACLQTDECQRJRO-UHFFFAOYSA-N 428.508 2.647 0 50 IFAA C[C@H](CC(F)(F)F)C(=O)N1C[C@@H]2C[C@H](C1)CS(=O)(=NS(=O)(=O)c1ccoc1)C2 2332238410 RUUDAIFOWGZGCF-XBCNXQQJSA-N 442.481 2.503 0 50 IFAA O=C(N=[S@]1(=O)CCCN(C(=O)C[C@H]2CC[C@@H](C3CC3)O2)CC1)c1cnn(C2CCC2)c1 2332238826 NKWDJZITMFMBNM-RFUPEKLASA-N 448.589 2.796 0 50 IFAA CCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OCC)S(C)(=O)=O 2852479 SKEMOGWFGQGWPX-UHFFFAOYSA-N 433.530 2.630 0 50 IFAA CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2CCc2ccc(OC)c(OC)c2)C1 13322713 HULJFYRPEPSARD-HNNXBMFYSA-N 440.591 2.730 0 50 IFAA CCOC(=O)c1nn(CCc2ccc(OC)cc2)c2c1CN(C(=O)c1cnc(C)cn1)CC2 14542127 JOZWWFXGIUCULH-UHFFFAOYSA-N 449.511 2.608 0 50 IFAA CCc1nc(C)c(CN2CCC3(CC2)C(=O)N(Cc2ccc(OC)cc2)C(=O)N3C)[nH]1 14542234 OKZYAILHOFRUGQ-UHFFFAOYSA-N 425.533 2.718 0 50 IFAA COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccc(CO)o1)CC2 14732222 QTTPZXVZICXQSF-UHFFFAOYSA-N 441.528 2.607 0 50 IFAA O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CCC(=O)N(CCN2CCOCC2)C1 14970329 PXWWLPFVLPYDPT-DEOSSOPVSA-N 449.595 2.896 0 50 IFAA O=CN1CCN(Cc2ccc(OCC[C@H]3CCCCN3C(=O)c3ccncc3)cc2)CC1 14995132 NYSRRRGTBXJZLQ-HSZRJFAPSA-N 436.556 2.819 0 50 IFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(I)ccc1OCC 16447701 TWGFEPGHBCPNEU-CQSZACIVSA-N 430.242 2.881 0 50 IFAA CC1=C(C)C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)[C@H](C(=O)O)C1 17099031 IYVNSIOLSDVAQT-WOJBJXKFSA-N 434.558 2.584 0 50 IFAA O=S(=O)(NCCCOc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)s1 19740329 NCWBZMWRDNUDGY-UHFFFAOYSA-N 430.979 2.981 0 50 IFAA COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccc(Cl)cc23)c1 253386479 WWVKMMNZJNDWBR-IHVXWDLPSA-N 445.903 2.502 0 50 IFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)c1ccccc1S(=O)(=O)Cc1ccccc1 1704315983 HTOWKPVUUVXCNF-UHFFFAOYSA-N 440.569 2.896 0 50 IFAA O=C(O)c1cc(-c2cn(C[C@@H]3CCN(C(=O)[C@H]4CCc5ccccc5C4)C3)nn2)ccn1 1875355504 LNTIQJRXMHVXGO-UZLBHIALSA-N 431.496 2.692 0 50 IFAA CNC(=O)NC(=O)CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1 2325901569 LKIUYRSZIINDIT-UHFFFAOYSA-N 427.892 2.597 0 50 IFAA CN(Cc1nc(-c2ccccc2)no1)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C)C1=O 11910750 ZHPBWFDVVKZVGI-QHCPKHFHSA-N 436.443 2.551 0 50 IFAA CCN(CC)[C@H]1CCN(C(=O)c2cn(CCC(C)C)cc(C(=O)NC(C)(C)C)c2=O)C1 15003117 IHTJGSTWBARQNY-SFHVURJKSA-N 432.609 2.979 0 50 IFAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCc3ccc(F)cc3)cc2)CC1 15069604 WBHXUVBMBGNQBK-QFIPXVFZSA-N 430.520 2.740 0 50 IFAA CC1=C(C)C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)[C@@H](C(=O)O)C1 17099005 ZBSUUIFDHLECNH-MOPGFXCFSA-N 434.558 2.584 0 50 IFAA CN(CCN1CCOCC1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 20204424 NHBDYQCNRBLQPX-UHFFFAOYSA-N 438.572 2.529 0 50 IFAA COc1ccc(CN2CCN(Cc3cc(OC)c4c(c3)OCO4)C[C@@H]2CCO)cc1C 20207636 DANNLGWIJHKEOP-FQEVSTJZSA-N 428.529 2.810 0 50 IFAA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)CCc3ccc4c(c3)OCO4)CC2)nn1 248238414 FUTNRLNIAWFFFS-HDICACEKSA-N 441.532 2.722 0 50 IFAA Cc1ccc(CNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c(=O)n1C 486709081 LEKCXLRTJPVJBD-UHFFFAOYSA-N 426.523 2.510 0 50 IFAA O=C(O)Cc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2C(F)(F)F)cc1 1875349694 JCQMVDBEHQVDJI-OAHLLOKOSA-N 431.388 2.827 0 50 IFAA COc1cccc(N2C[C@H](N=c3[nH]oc(-c4ccc(F)c(OC)c4)c3C(=O)O)CC2=O)c1 2356155082 WPAVPNOLBBUFPA-CYBMUJFWSA-N 441.415 2.835 0 50 IFAA O=C(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1151237 FKXYAYSRRDYOQQ-UHFFFAOYSA-N 439.331 2.651 0 50 IFAA Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 11870796 WVCSYTUACGTPIO-ISKFKSNPSA-N 432.528 2.967 0 50 IFAA CCN(CCO)C(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C1CC1 12511847 PQEAHKWVPIYMMI-UHFFFAOYSA-N 437.500 2.678 0 50 IFAA COc1ccc(CNCC2CCN(C)CC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12756348 SLQCCWKGONKYNM-XMMPIXPASA-N 441.616 2.998 0 50 IFAA COc1cc(CN2CCN(Cc3c(C)nc4sccn34)C[C@@H]2CCO)cc(OC)c1 19223849 WZUWOICHJOJLMH-SFHVURJKSA-N 430.574 2.790 0 50 IFAA O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 20509975 ZLKUCZBZKHGTJH-WMZOPIPTSA-N 437.466 2.996 0 50 IFAA COc1ccc(CNCc2cc(F)cc(F)c2)cc1OC[C@@H](O)CN1CCCN(C)CC1 22852409 KCUJRIPOACUEHD-QFIPXVFZSA-N 449.542 2.640 0 50 IFAA COc1cc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)ccc1-n1nc(C)cc1C 257174464 HFGQISKQALRHBT-SFHVURJKSA-N 433.468 2.577 0 50 IFAA COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N3CCOCC3)no2)cc1OC 1775976059 NWXAFJZLRCBAHU-QGZVFWFLSA-N 427.457 2.755 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc(OC)c(F)c2)C1 1857705285 APTIDZXWHXDMDF-JXALWOEJSA-N 433.568 2.663 0 50 IFAA O=C1c2ccccc2CC=CCOC[C@@]2(CCCNC2)C(=O)NC[C@]23CCC[C@H]2CN1C3 2325893993 GNKGHWPBWQTYGM-MZBJOSPHSA-N 437.584 2.544 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1 779540 XQUIQAZHZFBKDW-UHFFFAOYSA-N 440.521 2.760 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 8680755 KEAREMSBHLHVHU-UHFFFAOYSA-N 445.541 2.567 0 50 IFAA COc1ccc(CNC(=O)c2cn(Cc3ccccc3)cc(C(=O)NC3CC3)c2=O)cc1 14997396 WKJUWKCKISTARQ-UHFFFAOYSA-N 431.492 2.727 0 50 IFAA CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(Cc1ccccn1)C2 19228425 AXYFTONOAHOVKU-UHFFFAOYSA-N 430.556 2.819 0 50 IFAA CCN(CC)[C@@H]1CCN(Cc2cnc(S(=O)(=O)C3CCCCCC3)n2CCOC)C1 19744847 XWXMTZKWLSMLGZ-LJQANCHMSA-N 440.654 2.942 0 50 IFAA CN1CCN(c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)CC1 29766050 USQCXTDLIRKUAK-KRWDZBQOSA-N 448.614 2.539 0 50 IFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)NCc2ccc(C)cc2)C2=C1C(=O)OC2 169758121 WCFBCFICBKNZAZ-QFIPXVFZSA-N 435.480 2.587 0 50 IFAA CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccccc1SC[C@]1(C)NC(=O)NC1=O 248289624 JRRREXFUOOYERK-HLFMIMNKSA-N 447.557 2.713 0 50 IFAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cc1 334160585 HYGFVVATFIWZFC-GOSISDBHSA-N 444.532 2.704 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccc3c(c1)OCO3)C2 1857691693 WSQSJAQYOGIBBU-YOSAUDMPSA-N 430.545 2.671 0 50 IFAA Cc1cc(C)cc(-c2cn(Cc3ccc(C(=O)N[C@H]4CCO[C@H](CC(=O)O)C4)o3)nn2)c1 1875353958 MFTACRHPHYBEGE-HKUYNNGSSA-N 438.484 2.955 0 50 IFAA COc1ccc(OC)c(CC(=O)NC[C@@H]2Cc3cc(-c4ccc(OC)nn4)ccc3O2)c1 15007642 OJQJONGQSVDAFX-IBGZPJMESA-N 435.480 2.832 0 50 IFAA Cn1ccnc1C(=O)[C@H]1CCCN(C(=O)CC[C@@]2(Cc3cccs3)CCC(=O)N2)C1 19143332 XFOYFPYXXVFSJY-KSFYIVLOSA-N 428.558 2.575 0 50 IFAA CCC(CC)C(=O)N1CCC[S@](=O)(=NS(=O)(=O)c2ccccc2COC)CC1 2332238515 BCXLXJJGDMKBOY-HHHXNRCGSA-N 430.592 2.658 0 50 IFAA O=C(NCCc1cccc(Cl)c1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(F)c(F)c1 11784083 UEKDIUDSPZVFBO-XLIONFOSSA-N 446.889 2.779 0 50 IFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)c(OC)c1 11814931 DQDXTNLPVSVKGL-LJQANCHMSA-N 447.576 2.756 0 50 IFAA CSc1ncc(CN2CCC[C@H](CNS(=O)(=O)c3cccc4cccnc34)C2)cn1 11816735 ZOBAVGHJBWXCPZ-MRXNPFEDSA-N 443.598 2.937 0 50 IFAA COc1ccc2ccccc2c1CN1CCC(n2cc(C(=O)N3CCOCC3)nn2)CC1 12129652 KECGEEZMHHUOEK-UHFFFAOYSA-N 435.528 2.749 0 50 IFAA O=C(c1nn(Cc2ccccc2)c2c1CN(Cc1cccc(O)c1)CC2)N1CCOCC1 14743950 AWTQRGGSCDPPFY-UHFFFAOYSA-N 432.524 2.668 0 50 IFAA COC(=O)c1c(NC(=O)c2ccc(OC)cc2)c2cc(N[C@H](C)CCO)cnc2n1C 14747074 FVXBFAWKHGGBKL-CYBMUJFWSA-N 426.473 2.804 0 50 IFAA CCn1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)c1C 19632478 GQHZDXWDPGZOIR-HUUCEWRRSA-N 440.591 2.964 0 50 IFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 55576159 LUGDTTIDEOXICU-IBGZPJMESA-N 449.477 2.655 0 50 IFAA O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 170637030 JLQSSKAGTRDQKL-JKSUJKDBSA-N 425.963 2.692 0 50 IFAA O=S(=O)(C1CCOCC1)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857720471 WBQWWWKZECASBR-UHFFFAOYSA-N 429.542 2.638 0 50 IFAA CC(C)c1nnc(N2C[C@@H](C(=O)NC3CCN(CCc4ccccc4)CC3)CC2=O)s1 1857728053 LEGRILNOZBDKKZ-SFHVURJKSA-N 441.601 2.838 0 50 IFAA CNc1cncc(C(=O)N2CCCO[C@H](CNC(=O)[C@H](C)c3cccc(Cl)c3)C2)c1 1875330855 FJBRPCXWNLLCQR-FOIQADDNSA-N 430.936 2.928 0 50 IFAA Cc1cc(=NC(=O)[C@H](C)OC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)[nH]o1 2325737894 OQPBZUARQFWWNG-XHDPSFHLSA-N 440.283 2.887 0 50 IFAA COc1ccc(OC)c(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)c1 829266 LALNSEDAAQMSGX-UHFFFAOYSA-N 430.482 2.809 0 50 IFAA CSCC[C@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)O 5220416 CSSWRNDDVNXJLD-KTZOAPACSA-N 442.493 2.509 0 50 IFAA biogenic CS(=O)(=O)N(CC(=O)NCCSc1ccccn1)c1cccc(Br)c1 6348675 FEIUTPKLYOELHT-UHFFFAOYSA-N 444.376 2.519 0 50 IFAA CCn1cc(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)c(C)n1 11946510 AAZGIUCIBABDDV-UHFFFAOYSA-N 430.549 2.640 0 50 IFAA CCOC(=O)c1cnn(-c2ccc3c(c2)OCCO3)c1CN1CCC[C@@H](C(=O)OCC)C1 11963356 FALIGUGTOAGAMN-MRXNPFEDSA-N 443.500 2.595 0 50 IFAA COc1ccc(CNCCn2ccnc2C)c(OC[C@@H](O)CN2CCCCCCC2)c1 12441773 DRMJVFXEOZSJBZ-QFIPXVFZSA-N 430.593 2.996 0 50 IFAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)c2cc(C)n(C)n2)C1 12708815 YZUUUJWTDPIOEX-HXUWFJFHSA-N 427.593 2.653 0 50 IFAA COCC1CCN(C(=O)c2cc(OC)ccc2OC2CCN(C(=O)C3CC3)CC2)CC1 14980762 QGTDXIQAOMFWEJ-UHFFFAOYSA-N 430.545 2.974 0 50 IFAA CCCN1CCN(C(=O)[C@H]2CC(=O)c3sc(NC(=O)c4cccc(F)c4)nc3C2)CC1 20451447 FAOOLFLBJUHSNW-OAHLLOKOSA-N 444.532 2.834 0 50 IFAA CCN(Cc1cnn(C)c1)Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2ccc(Cl)cn12 20906518 CUUMDVMSZHNTIF-IYBDPMFKSA-N 444.967 2.993 0 50 IFAA Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)n1 65362035 NGLXFFKRDJZSFY-UHFFFAOYSA-N 433.553 2.734 0 50 IFAA COc1ccnc(CN2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)c1OC 77535717 SWUFYZWTFMISIR-UHFFFAOYSA-N 427.501 2.965 0 50 IFAA O=C1N[C@H](CCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)Nc2ccccc21 169772697 QOUSMPRZGWWVJL-HXUWFJFHSA-N 431.496 2.800 0 50 IFAA COCCCn1c(C)cc(O)c([C@@H](CC(=O)OC)c2cc(OC)c(OC)cc2OC)c1=O 824396325 HRDMZUDWTJREPV-INIZCTEOSA-N 449.500 2.620 0 50 IFAA O=C1C[C@H](CC(=O)N[C@H]2CC[C@H](NC(=O)c3cccc4cnsc34)CC2)CCCN1 2325824210 UNFMBAYVFXVYSA-DJIMGWMZSA-N 428.558 2.760 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 900049 LVRSWTYXQJUNDL-UHFFFAOYSA-N 437.521 2.945 0 50 IFAA COC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 2856091 JWGPPGVOLGCQQH-LLVKDONJSA-N 441.303 2.541 0 50 IFAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CN(C)S(=O)(=O)c1ccccc1 2866916 FHFOOGKQDJFVIQ-UHFFFAOYSA-N 428.514 2.794 0 50 IFAA COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1 6577755 YJHKIGQEPRQZJF-HXUWFJFHSA-N 436.468 2.633 0 50 IFAA COc1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)[C@@H]2CCS(=O)(=O)C2)cc1 8868023 OWPBSVTULDRTLF-MRXNPFEDSA-N 427.478 2.631 0 50 IFAA COc1cc(CNCCc2cccc(Cl)c2)ccc1OC[C@H](O)CN1CCC(O)CC1 11714188 UHZVVWGFWAAFFV-JOCHJYFZSA-N 448.991 2.877 0 50 IFAA Cc1nc(N2CCC[C@H](C(=O)N3CCCCCC3)C2)nc2cc(S(C)(=O)=O)ccc12 11880963 YBDZBCCWFWGCBF-KRWDZBQOSA-N 430.574 2.961 0 50 IFAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NCc3cc(OC)ccc3OC)cc12 14531218 SIPFMRNSNOHLQU-UHFFFAOYSA-N 442.472 2.574 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cccc(F)c1F)C2 14538450 MSGAGFZVUVTAMY-KRWDZBQOSA-N 432.515 2.937 0 50 IFAA O=C(NC[C@H]1OCCc2ccccc21)c1cc(COc2ccc(-n3cncn3)cc2)on1 14975276 GXCASAGGICDNDV-JOCHJYFZSA-N 431.452 2.878 0 50 IFAA Cc1nc(CCNCc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)sc1C 19635018 VCVDSXCPKJNTOF-UHFFFAOYSA-N 432.619 2.579 0 50 IFAA Cc1cc(Cl)c2ccccc2c1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 170596195 QXJKRJZLXZRJHL-ZDUSSCGKSA-N 433.917 2.906 0 50 IFAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C[C@H]1C[C@H](C)NC(=S)N1)O2 209134170 XOUMYVLOMXEOAJ-KYNGSXCRSA-N 437.565 2.991 0 50 IFAA COc1ccc(C(=O)CCC(=O)N2CCOc3ccc([C@](C)(O)CN(C)C)cc3C2)cc1 299755554 ABCQJLLFXYVRBC-RUZDIDTESA-N 440.540 2.848 0 50 IFAA COC(=O)[C@@H](CNC(=O)[C@](C)(O)c1cccc(C(F)(F)F)c1)Oc1ccc(F)cc1 759929131 UOVGKIRNVXAVTQ-VQIMIIECSA-N 429.366 2.789 0 50 IFAA COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(I)c1 1110621 LRZVUIMYSNMZQY-UHFFFAOYSA-N 447.250 2.887 0 50 IFAA CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 2373194 LYVVIETWFMWMJP-UHFFFAOYSA-N 437.931 2.767 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 6353942 ZCCLMHZHMGAASK-LYPXWFNGSA-N 439.924 2.847 0 50 IFAA CCS(=O)(=O)Nc1cc(C(=O)NCc2ccon2)c2c(c1)nc(-c1ccccc1)n2C 11784666 SQEYPVKFLSILMQ-UHFFFAOYSA-N 439.497 2.920 0 50 IFAA CN(C[C@H]1COCCO1)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11838290 KBNDZZDZQNTAKA-FQEVSTJZSA-N 436.556 2.723 0 50 IFAA Cc1nnsc1C(=O)NC[C@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 12282511 ZYQUBMZZWTUXPL-OAHLLOKOSA-N 429.523 2.651 0 50 IFAA COc1cccc(CNCC[C@@H]2CCC(=O)N2C[C@@H](c2ccncc2)N2CCOCC2)c1 14882457 LTEFRYWIEIWAPK-UPVQGACJSA-N 438.572 2.634 0 50 IFAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(SC)cc2)CN1C1Cc2ccccc2C1 32523708 PJQVXWFENNRGSF-URXFXBBRSA-N 439.625 2.871 0 50 IFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)cc4OC)ccn3n2)cc1 169775869 PEXZCXGDZVZNMO-UHFFFAOYSA-N 448.479 2.619 0 50 IFAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)N(C)Cc1ccc3nsnc3c1)CO2 1506396168 ATCBXWPMFLNHHX-MRXNPFEDSA-N 439.541 2.639 0 50 IFAA Cc1ccc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c(F)c1 1857739213 MWLXXBGDYAYPIS-UHFFFAOYSA-N 426.492 2.587 0 50 IFAA CC(F)(F)c1ccc(Cn2cc(CCNC(=O)C34CCC(C(=O)O)(CC3)CC4)nn2)nc1 1875325333 VYLZKNZBHRLQQS-UHFFFAOYSA-N 447.486 2.917 0 50 IFAA COc1ccc([C@@H]2N(S(=O)(=O)c3cnc(NC(C)=O)s3)CC2(C)C)cc1OC 1875355093 ZZIFEWIHICUJGK-INIZCTEOSA-N 425.532 2.891 0 50 IFAA CCCN1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H](C2)CS(=O)(=NC(=O)c2ccc(C)o2)C3)C1 2332238352 OARWMHKWBXGFNJ-XESONUJYSA-N 435.590 2.797 0 50 IFAA Cc1oc(-c2ccc(NC(=O)Cc3ccccc3)cc2)nc1CNC(=O)Cn1cncn1 11788651 JBZUFEURHIXPSC-UHFFFAOYSA-N 430.468 2.739 0 50 IFAA CCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CCN(C(=O)Cn1ccnc1)CC2 11880896 CIEFSSJUNRVPDX-PKTZIBPZSA-N 448.523 2.926 0 50 IFAA C[C@@H]1C[C@@H](C(=O)NCc2nc(NCCCc3ccccc3)c3ccccc3n2)NC(=S)N1 12279475 OEKIVUIVODZYDN-UZLBHIALSA-N 448.596 2.916 0 50 IFAA O=C(NCCc1cccc(Cl)c1)[C@@H]1C[C@@H](n2cnnn2)CN1C/C=C/c1ccco1 14959359 BMXUPWREABHHLS-VCAGQHNJSA-N 426.908 2.607 0 50 IFAA CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CN1CCC(C(N)=O)CC1 15071561 BNIFXKSNVONIRT-UHFFFAOYSA-N 441.919 2.948 0 50 IFAA CC(C)c1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1 19367267 HBFYQGVZVRTRBP-OAQYLSRUSA-N 435.524 2.988 0 50 IFAA COc1ccc(-c2cc3c(n(C)c2=O)CCN(C(=O)Cn2ccnc2)C3)c2ccc(C)nc12 20455291 ZBKUBZWWDJALTL-UHFFFAOYSA-N 443.507 2.699 0 50 IFAA CCC[C@@]1(C2CCN(Cc3ccc(CO)o3)CC2)NC(=O)N(CCc2ccccn2)C1=O 299764372 SAYZNTJVLFTHCP-DEOSSOPVSA-N 440.544 2.712 0 50 IFAA COCc1nc(NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)n[nH]1 409415118 UDBVDRXWQZODHV-OAHLLOKOSA-N 428.493 2.517 0 50 IFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[S@](=O)(=NC(=O)C2(C)CC(F)(F)C2)CC1 2332239040 UPCWGKLGHWXTFK-GNDSEDMPSA-N 444.548 2.803 0 50 IFAA COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(CCC(C)C)CC3)c1 11868328 GJGSLICZSSGKTQ-UHFFFAOYSA-N 427.545 2.700 0 50 IFAA CC(C)Cn1cc(C(=O)NCC2(O)CCCCC2)c(=O)c(C(=O)N2CCCCCC2)c1 12330071 HKZWURPDNIAGAQ-UHFFFAOYSA-N 431.577 2.946 0 50 IFAA CCn1cc(-c2cc(C(=O)N3CCN(Cc4cnn(C)c4)CC3)c3ccccc3n2)cn1 20614045 OAWUDSQDGJWLDC-UHFFFAOYSA-N 429.528 2.810 0 50 IFAA Cc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(N2CCOCC2)n1 64799880 MNRCEVQYDJUPIO-UHFFFAOYSA-N 435.450 2.603 0 50 IFAA COc1cccc([C@H](CNC(=O)[C@@](N)(c2cccc(OC)c2)C(F)(F)F)N(C)C)c1 170607844 XQEUTWSQYUMDLX-ICSRJNTNSA-N 425.451 2.839 0 50 IFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 428001293 PMHHFWMPSYZMPL-GOCUYVQSSA-N 428.532 2.818 0 50 IFAA CN(C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCCN(Cc2ccccc2)C1 470681142 GWKNOPMBQQIEEY-NRFANRHFSA-N 427.570 2.864 0 50 IFAA COc1ccc(-c2nnc(O)c3c2CCCC3)cc1S(=O)(=O)NCc1ccccn1 1848442319 NXKWBZWLGLYKGY-UHFFFAOYSA-N 426.498 2.610 0 50 IFAA COc1ccc(C)cc1-n1cnc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)c1 1875253796 SXPCPHQZTANWCF-UHFFFAOYSA-N 442.497 2.687 0 50 IFAA CN(C)[C@H](CNC(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1)c1cccs1 1875350718 YHWMBVUYHBPDEX-QGZVFWFLSA-N 434.525 2.589 0 50 IFAA Cc1cnn2c(-c3ccccc3)cc(N3CCN(c4nccn5cnnc45)[C@H](C)C3)nc12 2325870973 XFSGSMMSLFZPTO-QGZVFWFLSA-N 425.500 2.858 0 50 IFAA CCN(C[C@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 11786356 MXVSVYBLWLOAPC-GJZUVCINSA-N 449.551 2.739 0 50 IFAA O=C(CCOc1ccccc1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1 12206754 HYPCOASUQUVISG-QFIPXVFZSA-N 448.567 2.828 0 50 IFAA CCOC(=O)c1n[nH]cc1CN(CCOC)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 12302196 QNQATVBXBUPPFG-LJQANCHMSA-N 440.588 2.914 0 50 IFAA Cc1cc(=O)n2c3c(cc(S(=O)(=O)N4CCN(c5ccccc5F)CC4)cc13)CC2 12444906 AZDQRMWBYBDKDJ-UHFFFAOYSA-N 427.501 2.516 0 50 IFAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 12706704 JZANNGZNMYBRNR-IBGZPJMESA-N 436.574 2.551 0 50 IFAA Cc1sc2nc(CS[C@H](C)C(=O)NCc3nnc(C4CCC4)n3C)[nH]c(=O)c2c1C 170594429 WIPBUFZTJRUZMD-GFCCVEGCSA-N 446.602 2.936 0 50 IFAA O=C(NC[C@@H]1C[C@@H]2OCC[C@H]2O1)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 1875352492 JJAYBVDTIVJWIJ-HBMCJLEFSA-N 434.500 2.651 0 50 IFAA COC(=O)c1cc(=NC(=O)C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)[nH]n1C 2325819096 RIASFAOWIOGETO-SFHVURJKSA-N 432.908 2.658 0 50 IFAA Cc1cc(CC(=O)N=S2(=O)CCC3(CC2)C[C@H](NC(=O)[C@@]2(C)C=CCC2)CCO3)no1 2332238331 LJNYOGBZXMHTIL-WSMJJTGMSA-N 449.573 2.704 0 50 IFAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1 813929 GAFPJUWDWXJYAK-UHFFFAOYSA-N 425.510 2.598 0 50 IFAA COc1ccc(CNCC[C@@H]2CCC(=O)N2C[C@H](O)COc2cccc(OC)c2)cc1 11782824 PEOBRYCMRMMGBF-PMACEKPBSA-N 428.529 2.614 0 50 IFAA O=C(CC[C@@H]1CCCN(C(=O)c2ccc3[nH]cnc3c2)C1)N1CCN(c2ccccn2)CC1 12302868 GFHCDGDLMNAHHO-IBGZPJMESA-N 446.555 2.939 0 50 IFAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)CCN1CCCO1 12302991 FRSBVTYTCUYCNC-UHFFFAOYSA-N 442.648 2.674 0 50 IFAA Cc1cc(C)c2c(=O)n(CC(=O)N(C)c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n1 12446312 QJVYJOGGEQGIDH-UHFFFAOYSA-N 432.455 2.966 0 50 IFAA COc1ccc(CN2C[C@H](OCc3cccnc3)CN(Cc3cnn(C)c3C)CC2=O)cc1 14541602 ZJYNNOLMGWKUTQ-XMMPIXPASA-N 449.555 2.562 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@H](C)CCn2cccn2)CC1 14952709 AHFNTUYXYVQCKF-GOSISDBHSA-N 430.549 2.590 0 50 IFAA COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(Cc3ccccc3)CC2)c1 20481920 HNIASLQSYZLBTQ-UHFFFAOYSA-N 427.526 2.774 0 50 IFAA O=C(c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN(c2ccccn2)CC1 33088499 QMSNUHMQHUNMID-UHFFFAOYSA-N 443.389 2.761 0 50 IFAA CNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 64859296 IFOQFZVPFCRSLM-OWEKAKITSA-N 437.964 2.856 0 50 IFAA in-vitro COc1ccc(CN2CCN(Cc3cccc(OCCO)c3)C[C@H]2CCO)c(C)c1C 104394803 CZOIACHOGKVWIG-HSZRJFAPSA-N 428.573 2.752 0 50 IFAA COC(=O)C[C@@H](c1c(O)n2ccccc2nc1=O)c1coc2ccc(Cl)cc2c1=O 205974167 HCQFFJQBMXKLOP-GFCCVEGCSA-N 426.812 2.855 0 50 IFAA CSCC[C@H](C(=O)OCC(=O)c1cccs1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 239038895 FDELBLHJGMYLED-IPJDJJESSA-N 445.562 2.649 0 50 IFAA CNS(=O)(=O)c1ccc(N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)nc1 463080347 XOCWEEGFWOECCC-HXUWFJFHSA-N 449.529 2.734 0 50 IFAA Cc1cc(N2CCN(C(=O)c3cc(C)n4nc(C)cc4n3)CC2)nc(-c2ccccc2O)n1 952868972 CPWGNVIIRQRHHN-UHFFFAOYSA-N 443.511 2.780 0 50 IFAA COc1ccc(-n2nnnc2SCCSc2nnnn2-c2ccc(OC)cc2)cc1 2812628 IJDRRKPGMJKMFV-UHFFFAOYSA-N 442.530 2.540 0 50 IFAA CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccccc2Br)CC1 9190255 HNEPZKBEPDALQL-UHFFFAOYSA-N 438.347 2.783 0 50 IFAA Cc1cnccc1CNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 11937847 HQAYEUIRIIWWKW-UHFFFAOYSA-N 437.949 2.776 0 50 IFAA O=C([C@H]1CC12CCN(C(=O)[C@H]1CCCO1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 14993693 KRCUNLWBPDWBSI-CEYISNLHSA-N 437.584 2.652 0 50 IFAA CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@]12C(=O)N(C)c1ccccc12 15016872 KHFTVYPLENXFQP-DEOSSOPVSA-N 430.464 2.569 0 50 IFAA O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)N1CCOCC1 16489795 LUEDLXWZGXXGQT-UHFFFAOYSA-N 428.869 2.518 0 50 IFAA O=C([C@H]1CC12CCN(C(=O)[C@@H]1CCOC1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 19739923 IDEUQARRUFRYKP-AHMTUAPDSA-N 437.584 2.509 0 50 IFAA Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COC[C@@H]2COc3ccccc3O2)CC1 20109694 PZNRZTRXERHAJQ-WOJBJXKFSA-N 432.948 2.988 0 50 IFAA COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 253417928 UCVYPYWNSZHNNI-OAHLLOKOSA-N 435.521 2.936 0 50 IFAA C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 446598324 FDJIZPIEKPXDDQ-CPJLOUKISA-N 443.507 2.640 0 50 IFAA CC(C)c1ccc(-n2ccnc2SCC(=O)N2CCCC[C@H]2CS(N)(=O)=O)cc1 769592686 JPNUNIBTUQLEGN-SFHVURJKSA-N 436.603 2.757 0 50 IFAA O=C([C@@H](c1cccnc1)N1CCOCC1)N1CCCN(c2nc3ccccc3s2)CC1 1506423753 HXNOVDLAEHKHJM-OAQYLSRUSA-N 437.569 2.804 0 50 IFAA O[C@H]1CN(Cc2ccccc2OCCN2CCOCC2)C[C@H]1Cc1ccnc2ccccc12 1529114985 WQKWGUBFJGMUKR-BVAGGSTKSA-N 447.579 2.981 0 50 IFAA COc1ccccc1C(=O)NC(=Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O 2049286323 FCLVNKXOEPWSHL-KRWDZBQOSA-N 428.510 2.789 0 50 IFAA Cn1ccnc1CCC(=O)N1CCc2c(CNC(=O)c3ccc4c(c3)CCO4)cccc2C1 2325827037 STHBPDKYKAOETP-UHFFFAOYSA-N 444.535 2.803 0 50 IFAA O=C(N[C@H]1CN(C(=O)CCc2ccccc2O)CC12CCOCC2)C1Cc2ccccc2C1 2325852899 XMOVQNMVJXHHMC-DEOSSOPVSA-N 448.563 2.864 0 50 IFAA C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCOC2(CCS(=O)(=NC(=O)[C@@H]3CCOC(C)(C)C3)CC2)C1 2332238221 HEIKMMFRPDSIPI-GOLHPFNMSA-N 440.606 2.670 0 50 IFAA O=C(O)c1cc(C(=C2CCC(=O)[C@H](C(=O)O)C2)c2ccc(O)c(C(=O)O)c2)ccc1O 2546473 BWIVUOSTPYEJJO-OAHLLOKOSA-N 426.377 2.750 0 50 IFAA C[C@H]1CCCC[C@H]1NC(=O)C[C@H]1CS(=O)(=O)C[C@H]1CC(=O)N[C@H]1CCCC[C@H]1C 4339202 HNRQDGHEHSFNCZ-XETNVZRVSA-N 426.623 2.817 0 50 IFAA COCCCC1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@H]2CCCO2)CC1 11661587 UZXYWKDWTURGQB-OAQYLSRUSA-N 439.622 2.884 0 50 IFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCN3CCCCO3)C2)c(OC)c1 11814928 DQDXTNLPVSVKGL-IBGZPJMESA-N 447.576 2.756 0 50 IFAA CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1 12445252 UYBDBZKTWMBYIG-HNNXBMFYSA-N 437.953 2.627 0 50 IFAA CCc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)no1 19147154 BWFZEOUTQMEPDQ-SFHVURJKSA-N 425.533 2.613 0 50 IFAA COc1ccc(CNC(=O)c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)c(OC)c1 169759866 ZCIPYXOMJQDILG-QFIPXVFZSA-N 437.452 2.831 0 50 IFAA CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@](C)(CC(=O)OC)c2ccc(F)cc2)cc1 170609980 QDUXJVBLXZWRFZ-LGQSSRTCSA-N 448.516 2.732 0 50 IFAA COc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c(OC)cc1Cl 170623938 YTPGKAVIZFLUGS-UHFFFAOYSA-N 426.922 2.877 0 50 IFAA CCN(CC)C(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C1 239164808 MYIJCHMIRGSJHK-YOEHRIQHSA-N 436.350 2.661 0 50 IFAA CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(OCCN2CCOCC2)cc1 409415255 YFUQZCAZGNGBNL-UHFFFAOYSA-N 436.512 2.949 0 50 IFAA O=C(c1ccc2nc[nH]c2n1)N1CC[C@@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1 952895047 XUMZHBVSJJIMMG-GOSISDBHSA-N 429.362 2.749 0 50 IFAA CCCc1cnc(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)nc1 1857694790 JBPCSRZJZIFSMS-OAQYLSRUSA-N 428.508 2.843 0 50 IFAA CCN1CCCC[C@H]1CNc1ccc(C(=O)N2CCCN(c3nc(C)ns3)CC2)cn1 1875325263 KNMVKZRWGJDXRV-IBGZPJMESA-N 443.621 2.880 0 50 IFAA CC(C)CCN(C)c1nnc(-c2cccc(CS(C)(=O)=O)c2)n1Cc1ccnn1C 1875341299 NZFFMLCESLXTPT-UHFFFAOYSA-N 430.578 2.754 0 50 IFAA CC1(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)CC(F)(F)C1 2325793048 DDEOTYUPMAJQBY-QXCZDIPSSA-N 440.531 2.749 0 50 IFAA O=C(O)c1cc(Br)c2ncc(CNCCc3nc(-c4ccco4)n[nH]3)n2c1 2325850249 REAHBIKPDKOYPG-UHFFFAOYSA-N 431.250 2.505 0 50 IFAA COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 1057383 WMUHVUOIDSWYQV-OAHLLOKOSA-N 439.541 2.974 0 50 IFAA CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1893967 MICRODNJZKNSMX-SFTDATJTSA-N 436.508 2.988 0 50 IFAA CCOCCCNC1CCN(c2ccc(C(=O)N3CCN(C(=O)OCC)CC3)cc2)CC1 11881925 OYEDSKDJQDSZDR-UHFFFAOYSA-N 446.592 2.586 0 50 IFAA COc1cc(CN2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)ccc1O 11972810 RUMDEUSQOQRWIQ-KRWDZBQOSA-N 435.528 2.850 0 50 IFAA CCN(CC)C[C@@H](O)COc1ccc(CNCCSc2nnc(C)s2)cc1OC 12052339 BAIDNASZBGDWMB-QGZVFWFLSA-N 440.635 2.819 0 50 IFAA Cc1cnc(-n2ncc(C(=O)NCC(C)(C)N3CCOCC3)c2C)nc1-c1cccs1 19800228 RCMBINFHLFRGPJ-UHFFFAOYSA-N 440.573 2.848 0 50 IFAA Cc1cccc(C)c1OCCOC[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 20500921 GFAPZVUZBPTEKK-JOCHJYFZSA-N 442.556 2.606 0 50 IFAA CCCN1CCC(N2C[C@H](NCc3ccc(Cl)cc3)C[C@H]2C(=O)NCCOC)CC1 20782877 HSDALXSMKTVLCG-IRLDBZIGSA-N 437.028 2.510 0 50 IFAA CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCc1ccccc1 219025992 HTCCPCCHDIEUTN-UHFFFAOYSA-N 442.549 2.628 0 50 IFAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N[C@@H](CO)c3ccccc3)CC2)cc1 245257390 ZGFFZQYJKHFUMH-JLMWRMLUSA-N 446.569 2.630 0 50 IFAA Cn1c(=O)nc(O)c2cc(C(=O)NCc3ccc(-c4ccc5c(c4)CCO5)cc3)cnc21 490068247 QXIQLNLEWJNZJK-UHFFFAOYSA-N 428.448 2.566 0 50 IFAA O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)N1CCc2nc[nH]c2C1 888104027 VJAAGGGLTKBMAX-QHCPKHFHSA-N 441.491 2.890 0 50 IFAA CCS(=O)(=O)c1cccc(C(=O)NC2(CNC(=O)[C@H]3C[C@H]3Cc3ccccc3)CC2)c1 2325828218 BGHYYVQKTIFJIO-CTNGQTDRSA-N 440.565 2.738 0 50 IFAA O=C(NCCn1c(O)nc2ccccc21)c1ccc2[nH]nc(I)c2c1 2325854752 SOUFRYNAMFPHSS-UHFFFAOYSA-N 447.236 2.653 0 50 IFAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 1064854 NSBOKWVHXUMWMS-OAHLLOKOSA-N 445.541 2.822 0 50 IFAA CCOc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc(OCC)c1OCC 1088689 LAGHWINMPXHSTD-UHFFFAOYSA-N 436.530 2.503 0 50 IFAA Cc1nc2sc3c(c2c(=O)n1NC(=O)CCn1cc(Br)cn1)CCCC3 2779297 BLBJFBOMOZJDGI-UHFFFAOYSA-N 436.335 2.765 0 50 IFAA COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 2887529 HSIRORYURKSYIK-UHFFFAOYSA-N 428.869 2.979 0 50 IFAA CSc1ccccc1N1C(=O)CN(C(=O)CCn2cnc3ccccc3c2=O)C[C@H]1C 12005059 IMBMFXLKTKVFCO-MRXNPFEDSA-N 436.537 2.772 0 50 IFAA CC1CCN(Cc2nnnn2CCCC(=O)N[C@H](c2ccccn2)C(F)(F)F)CC1 12298494 DMRNRZBZVWNVHF-GOSISDBHSA-N 425.459 2.500 0 50 IFAA CCOC(=O)c1nn(CCc2ccc(OC)cc2)c2c1CN(Cc1cnn(C)c1C)CC2 14536592 LYNRREJCDAQLPE-UHFFFAOYSA-N 437.544 2.911 0 50 IFAA O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 16649820 ZOXRJSKYKQNJNO-CABCVRRESA-N 435.373 2.830 0 50 IFAA Cc1cccc(COc2ccc([C@@H](C)NC(=O)N(CCO)CCN3CCOCC3)cc2)c1 487830332 DCODFIKVEXSOLQ-OAQYLSRUSA-N 441.572 2.971 0 50 IFAA O=C(Nc1ccc(-n2ncc3c(O)ncnc32)cc1)[C@H]1CC(c2cc(F)ccc2F)=NO1 732655314 OXBRSABLVCEBGU-GOSISDBHSA-N 436.378 2.931 0 50 IFAA COc1ccc([C@H](NC(=O)CN2CCc3ccc(S(C)(=O)=O)cc3CC2)C2CC2)cc1 888093067 HWTZQYQITBXORO-XMMPIXPASA-N 442.581 2.767 0 50 IFAA CNC(=O)[C@@]1(Cc2cscn2)C[C@H]2CC[C@@H]1N2C(=O)c1nc2ccc(C)cn2c1F 1704354894 LHXCKOGJTGMTJO-WIEQDCTASA-N 427.505 2.590 0 50 IFAA O=C1c2ccccc2CN1C[C@H]1CC[C@H](C(=O)NCCn2cnc3ccccc3c2=O)CC1 1775942406 JLEQAELOPMFRLN-WGSAOQKQSA-N 444.535 2.975 0 50 IFAA Cc1ccc(F)cc1-c1n[nH]c(=NC(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)s1 1875354838 QIZTWTRWKFYNBA-CQSZACIVSA-N 426.539 2.896 0 50 IFAA COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)cc1 1049579 NIJNFADUQAGAHW-QGZVFWFLSA-N 446.525 2.830 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 9327501 AJWFRQVMEXGNTC-SRKIZSPNSA-N 433.533 2.927 0 50 IFAA COc1cccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c1 11881933 NEQGEYPRCYACMP-SFHVURJKSA-N 435.528 2.601 0 50 IFAA COCCN1C(=O)N[C@@](Cc2cccc(OC)c2)(C2CCN(CC(C)(C)C)CC2)C1=O 12281403 WDIDHJBLBAXKCO-DEOSSOPVSA-N 431.577 2.933 0 50 IFAA COCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 12285237 ONDDZYYXVZIQFQ-UHFFFAOYSA-N 433.368 2.535 0 50 IFAA O=C(Nc1ccccc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N2C1 14731429 BIQWSZZRYAETEP-WBAXXEDZSA-N 447.322 2.826 0 50 IFAA COc1ccc(CCNC(=O)[C@H]2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 32104894 USTKYVMXYFKFID-HNNXBMFYSA-N 448.449 2.727 0 50 IFAA COc1cccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)c1 49547624 DFIZGJRQFYSYMI-UHFFFAOYSA-N 438.915 2.921 0 50 IFAA COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1c(O)n2cc(C(F)(F)F)ccc2nc1=O 206052018 PSXSRTNUDKXPCH-ZDUSSCGKSA-N 436.342 2.812 0 50 IFAA O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C(=O)N(c5ccc(F)cc5)C(=O)[C@H]34)[C@H]2C(=O)N1c1ccc(F)cc1 239439107 ZKXHQSHCOVDPJB-XETNVZRVSA-N 434.398 2.692 0 50 IFAA Cc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1nccc(-c2ccc3c(c2)OCO3)n1 299779488 UGWWJYRFWDCVRW-UHFFFAOYSA-N 434.500 2.533 0 50 IFAA O=C1C[C@H](C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3ccccc3)CC2)C2(CCCC2)O1 952980744 IDFJLQLUYWEUPJ-HXUWFJFHSA-N 446.569 2.707 0 50 IFAA C[C@H](c1ccccc1)N1C[C@@H](c2nc(CNS(=O)(=O)c3ccc(F)cc3)no2)CC1=O 2325762728 MGNWFRCVCZHMJX-ZBFHGGJFSA-N 444.488 2.764 0 50 IFAA CC(C)[C@@H](CNC(=O)c1occc1-c1ccc(F)c(F)c1)NC(=O)[C@@]1(C)CCN(C)C1=O 2325827697 NMAVQODYRTWDII-WZONZLPQSA-N 447.482 2.964 0 50 IFAA COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)n1cc(-c2ccc(Cl)s2)nn1 2325850738 GMQSTLATZYJZAW-OLZOCXBDSA-N 427.958 2.515 0 50 IFAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 1064857 NSBOKWVHXUMWMS-HNNXBMFYSA-N 445.541 2.822 0 50 IFAA COc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2cccc(Cl)c2Cl)cc1 2204653 HNNRTIDAWRBQQD-MRXNPFEDSA-N 436.295 2.971 0 50 IFAA CCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(OC)cc2)C3)CC1 169758874 UMRFDTRRUBVPRB-NRFANRHFSA-N 440.544 2.932 0 50 IFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(NC(C)=O)c4)ccn3n2)c1 169777057 OCGMWQJEMJCHPT-UHFFFAOYSA-N 445.479 2.560 0 50 IFAA O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)[C@@H]1COCCN1CC(F)(F)F 239760987 CJBNZFGRTWQWCB-CVEARBPZSA-N 437.865 2.995 0 50 IFAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)Nc3ccc4c(c3)ncn4C)N=C2O)cc1 252532876 FJPFCIOVVRNNKT-GOSISDBHSA-N 435.484 2.668 0 50 IFAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CC(=O)N[C@@H](Cc4ccccc4)C3)c2)on1 1772707641 WLYPEGWNEZOXJE-IBGZPJMESA-N 425.510 2.690 0 50 IFAA O=S1(=O)CCC(n2ccnc2-c2cccc(OCCCCN3CCOCC3)c2)CC1 1857729444 BDGBTDGBOMBHRW-UHFFFAOYSA-N 433.574 2.791 0 50 IFAA COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H](C)C(=O)NCc1ccco1 1875254936 YUXYVHSMXULWPK-LBPRGKRZSA-N 436.390 2.927 0 50 IFAA O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(c2ccccc2)C1 1875328139 ALTDTFDCZTZNJO-GBXCKJPGSA-N 448.548 2.788 0 50 IFAA COC(=O)[C@@H](CNC(=O)[C@H](O)c1ccccc1I)CC1CCCC1 2325823248 LITLIWJPPCYRCD-CZUORRHYSA-N 445.297 2.810 0 50 IFAA COCc1c(C(=O)NCCc2cccnc2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 12456250 VOUFITAZSBIYOT-UHFFFAOYSA-N 440.507 2.942 0 50 IFAA Cc1noc(C)c1CO[C@H]1CN(CC(C)C)C(=O)CN(C(=O)c2ccc3c(c2)OCO3)C1 14538064 BGWKGKYHEQVHEB-SFHVURJKSA-N 443.500 2.546 0 50 IFAA COCc1c(C(=O)N(C)CCCN(C)C)cnn1-c1nccc(-c2ccccc2F)n1 14999781 ZBZOSWIFBBZMCB-UHFFFAOYSA-N 426.496 2.639 0 50 IFAA CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 17099361 INCGELWKYNYQIE-UHFFFAOYSA-N 434.992 2.659 0 50 IFAA CCOc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1 20919232 GIKDRCKFJJMLFF-DENIHFKCSA-N 441.576 2.585 0 50 IFAA CC(C)CC[C@]1(C2CCN(C(=O)[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)NC(=O)N(CCN(C)C)C1=O 43619465 BNXIJKJZHNSJKR-KLGLLFHNSA-N 444.620 2.726 0 50 IFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2-n2cccn2)CN1Cc1ccc(F)c(F)c1 64131519 GTOUIUKFYVFSTF-KKSFZXQISA-N 440.450 2.696 0 50 IFAA Cc1ccc(Nc2ccc(N3CCN(C(=O)Cn4cnc5ccccc54)CC3)nn2)nc1 72437924 UIMTZOKCMCYNOH-UHFFFAOYSA-N 428.500 2.622 0 50 IFAA COc1ccc(CNC(=O)c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)cc1OC 169759868 KMVRSOLENJBEFN-QFIPXVFZSA-N 437.452 2.831 0 50 IFAA C[C@H](NC(=O)CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O)c1ccc2ccccc2c1 225486007 RYGPIHLKNPFMML-INIZCTEOSA-N 437.496 2.625 0 50 IFAA COC[C@@]1(C)N=C(O)N([C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1=O 328594886 FNYDCEHSCKZHGN-AUUYWEPGSA-N 438.322 2.723 0 50 IFAA Cn1cc(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Br)c2)c(=O)n(C)c1=O 759332785 QPRBREIBGBCRIZ-KRWDZBQOSA-N 446.276 2.505 0 50 IFAA Cn1c(C(=O)N2CC[C@](c3nc(-c4ccc(F)cc4)no3)(C(F)(F)F)C2)cccc1=O 952893388 LLEWIHQWSHQKSO-IBGZPJMESA-N 436.365 2.921 0 50 IFAA COc1ccc(-n2ccc(CN=c3ccc4nnc(-c5ccc6c(c5)OCO6)n4[nH]3)n2)cc1 1875259658 SDPCEPSJBNAHCX-UHFFFAOYSA-N 441.451 2.748 0 50 IFAA C[C@@H]1CCc2cc(F)cc3c(=O)c(C(=O)Nc4ccc(CS(N)(=O)=O)cc4)cn1c23 1875316653 FSMXKSHXMFWDMV-GFCCVEGCSA-N 429.473 2.689 0 50 IFAA C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2Cc3ccc(Br)cc3NC2=O)c1 1875371987 SUUFYZZFWMYEBI-HNNXBMFYSA-N 430.258 2.572 0 50 IFAA C[C@@H]1C[C@H](C(=O)N=[S@](C)(=O)C2CCN(C(=O)c3cnc(CC4CC4)s3)CC2)CO1 2332238785 KYVRFCJJYGVYJQ-NUPYBGCKSA-N 439.603 2.750 0 50 IFAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 982800 UNGMSEROKWRNTH-MRXNPFEDSA-N 447.557 2.937 0 50 IFAA O=C(CCCN1C(=O)c2ccccc2C1=O)O[C@@H]1CSC[C@H]1NC(=O)c1ccccc1 1070903 RAJPRPMKDJYCLH-RTBURBONSA-N 438.505 2.520 0 50 IFAA CC[C@H]1CCCCN1C(=O)C[C@]1(c2ccccc2OC)CC(=O)N(CCCOC)C1=O 12000668 YEQYZZPRZUNBOR-MHECFPHRSA-N 430.545 2.910 0 50 IFAA Cc1ccc(C)c(OC[C@H](O)CN2CCN(C[C@@H](O)COc3cc(C)ccc3C)CC2)c1 22942629 JBTLCKCVJHHEIW-DNQXCXABSA-N 442.600 2.717 0 50 IFAA COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2N2CCCN12 138560837 PMSDETNOPBQOLI-IPMKNSEASA-N 442.313 2.993 0 50 IFAA O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 170637031 JLQSSKAGTRDQKL-HZPDHXFCSA-N 425.963 2.692 0 50 IFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCc1cc(F)ccc1Br 230172907 UIDAWKUKBGOQFM-OFQRWUPVSA-N 430.343 2.930 0 50 IFAA COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089486 HGIZYCQVCPCBKM-CQSZACIVSA-N 435.402 2.940 0 50 IFAA N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3nn(-c4cc(F)cc(F)c4)c4c3CCC4)C2)C1 1775989006 YNOOYVZJONGYSN-ZVGUJKQYSA-N 430.499 2.998 0 50 IFAA O=C(CN1CCCC1=O)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857688923 MGQVSFJYLPJXPN-OAQYLSRUSA-N 441.572 2.624 0 50 IFAA O=C(O)CN(C(=O)c1ccc(Cn2cc(-c3cnc4ccccc4n3)nn2)o1)C1CCCC1 1875353696 CURQXMBMGFSOKE-UHFFFAOYSA-N 446.467 2.999 0 50 IFAA O=C(Cc1cccnc1)N1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)C2)C1 2325817954 JAWMAOYMMZBQOB-FGZHOGPDSA-N 444.539 2.810 0 50 IFAA COC(=O)c1cccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1C 1056749 HHMJMCJKQYLBJJ-UHFFFAOYSA-N 428.869 2.979 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cc(F)cc(F)c1)C2 14534683 BPWLWBFXKYAPHJ-LJQANCHMSA-N 432.515 2.937 0 50 IFAA Cc1ccc(N([C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1C 20529912 NZWSALOLLHZZCH-HXUWFJFHSA-N 429.586 2.802 0 50 IFAA Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H](N1CCN(C3CCCC3)CC1)C2 23232080 RMTFXKNMUDERAT-FQEVSTJZSA-N 439.579 2.907 0 50 IFAA O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(F)c(Cl)c1 100153642 HZFNKZKNKGXDCY-GOSISDBHSA-N 445.878 2.658 0 50 IFAA CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)C1CCN(c2ccc3nncn3n2)CC1 225759071 FNNHEDDRSCHIDX-OAQYLSRUSA-N 447.587 2.758 0 50 IFAA Cc1nc(O)cc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)n1 1506397748 GZNOTWRXQLUEAE-UHFFFAOYSA-N 433.437 2.748 0 50 IFAA Cc1cc(F)cc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c1 1857734055 BVCBQBSZKOYXPX-UHFFFAOYSA-N 426.492 2.587 0 50 IFAA Cc1ccc(-c2nc(CN3CCn4nc(C(=O)O)cc4C3=O)[nH]c2-c2ccccn2)cc1 1875246906 HBRJLFKSKQYLNI-UHFFFAOYSA-N 428.452 2.998 0 50 IFAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)CC1=O 1875263776 OOZBCSDVQCGHGQ-DKSSEZFCSA-N 441.557 2.778 0 50 IFAA COc1ccc(-n2c(-c3cnccn3)nn(CN3CCc4cncnc4CC3)c2=S)cc1 1875264612 KBATYGIUQQBCJE-UHFFFAOYSA-N 446.540 2.717 0 50 IFAA O=C(NC[C@@H]1CC2(CCOCC2)CN1C(=O)c1cc2ccccc2c(O)n1)c1cccnc1 1875358654 DEQJIXFTBUUOED-IBGZPJMESA-N 446.507 2.777 0 50 IFAA CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2)cc1 916261 YGPHGOGDZQWWSW-UHFFFAOYSA-N 425.510 2.992 0 50 IFAA O=C1N[C@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1c1ccc(Cl)cc1 2863462 SBQHAESPWJYUFS-OAHLLOKOSA-N 433.795 2.633 0 50 IFAA CC[C@H](O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C1CC1 11995181 BZQMIYZNDDSQLW-KRWDZBQOSA-N 433.512 2.815 0 50 IFAA O=C(c1cn(Cc2ccccc2C(F)(F)F)nn1)N1CCC(N2CCSCC2)CC1 12471412 WDTXDAJEVKRZIN-UHFFFAOYSA-N 439.507 2.999 0 50 IFAA COc1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC 12493463 SGTNQBGEMQIECD-MKICQXMISA-N 440.496 2.680 0 50 IFAA COc1ccc(CCc2nc3cccnc3n2C2CCN(S(=O)(=O)N(C)C)CC2)cc1 14968688 COYBMIRSLVNMQJ-UHFFFAOYSA-N 443.573 2.668 0 50 IFAA COC(=O)C[C@H]1C(=O)NCCN1Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 39466218 BGLWPYJBAPURIH-NRFANRHFSA-N 436.487 2.850 0 50 IFAA Cc1ccc(OCCN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)cc1 55098766 PXODAGOJRKGWBU-FQEVSTJZSA-N 431.483 2.501 0 50 IFAA CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCCC[C@H]1S(C)(=O)=O 252512439 QOMGLHGUYZOJMY-ZWKOTPCHSA-N 426.560 2.533 0 50 IFAA Cc1ccc(NC(=O)C[C@@H]2Cc3c(n(Cc4ccccc4)c(O)nc3=O)NC2=O)cc1C 253537595 SPBXVLBNKPGCCH-KRWDZBQOSA-N 432.480 2.754 0 50 IFAA C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[C@@H]1OCCc2sccc21 817052042 UOYNPMUCXVBODC-BIJSTVTOSA-N 430.526 2.639 0 50 IFAA O=C(O)C[C@@]1(NC(=O)CCCn2cc(-c3cccc(C(F)(F)F)c3)nn2)CCCOC1 1875354509 YITQHJZUCHCUEW-IBGZPJMESA-N 440.422 2.884 0 50 IFAA CN(c1ccccc1C(=O)Nc1ccc(I)cc1)S(C)(=O)=O 2843749 VBONCPYYMCYORK-UHFFFAOYSA-N 430.267 2.939 0 50 IFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCC3)cc2)n1 2869269 DHHDNSOYQIAXCV-UHFFFAOYSA-N 433.559 2.897 0 50 IFAA CCOC(=O)c1c(NC(=O)COc2ccccc2)sc(C(=O)N2CCOCC2)c1C 2880732 BMFNPYVCMAJBPQ-UHFFFAOYSA-N 432.498 2.723 0 50 IFAA CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n21 9008495 IMGSSVNZFGBASN-UBXANZILSA-N 449.532 2.592 0 50 IFAA Cc1nccn1CCCNCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2ccc(Cl)cn12 12434389 NMYQWHTXORGRGE-IYBDPMFKSA-N 444.967 2.922 0 50 IFAA O=C(CC[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1)NCc1ccccc1F 12477781 HCALFGJSZALDTO-KRWDZBQOSA-N 436.487 2.782 0 50 IFAA COC(=O)CCCNC(=O)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1 12589843 UIBAZMQTRGOKGN-UHFFFAOYSA-N 428.533 2.578 0 50 IFAA CSc1nnc(CNC(=O)Cc2ccc(N3CCNC3=O)cc2)n1-c1ccccc1C 14994452 KZBDBGRJKSKSOZ-UHFFFAOYSA-N 436.541 2.686 0 50 IFAA CN(C)C(=O)c1cn(CC2CCCCC2)cc(C(=O)NCc2ccc3c(c2)OCO3)c1=O 14997883 UYGFPYOANOUZLP-UHFFFAOYSA-N 439.512 2.789 0 50 IFAA Cc1ccc(OC[C@@H](O)CN2CCN(C[C@H](O)COc3ccc(C)cc3C)CC2)c(C)c1 22942679 NZKIJLNQPNZRLF-ZEQRLZLVSA-N 442.600 2.717 0 50 IFAA CCOC(=O)N1CCC(N2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)CC1 23373514 MMJNFGBDIGEEEV-OAQYLSRUSA-N 430.593 2.903 0 50 IFAA CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H](C[S@](C)=O)c1ccccc1)c1cnn(C)c1 170600266 FCAVROKCEVKNSG-KSZYLEPESA-N 434.562 2.564 0 50 IFAA COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)CC1(n2cccc2)CCOCC1 263588758 XZJXIADNPCNPII-UHFFFAOYSA-N 427.501 2.504 0 50 IFAA Cc1cc(C(=O)N[C@@H]2CCOC3(CCS(=O)(=NC(=O)C4[C@H]5CCC[C@H]45)CC3)C2)ccn1 2332238249 JAEXKGSNCUWWRT-JFEUPJNOSA-N 445.585 2.872 0 50 IFAA Oc1cccc(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c1Cl 2356169340 QKFHNVJHODGVBI-UHFFFAOYSA-N 430.936 2.858 0 50 IFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)c3ccccc3)C2)cc1 953217 MGYIMUZFRUUOGT-INIZCTEOSA-N 431.514 2.929 0 50 IFAA COc1ccc(CCC(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)cc1 11841962 ZFSMVBVEXQIRND-LJQANCHMSA-N 425.533 2.583 0 50 IFAA COc1ccc(OC)c([C@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1 12427961 FDFIXIFCBHPQCA-HSZRJFAPSA-N 447.491 2.843 0 50 IFAA O=C(NCCCN1CCN(CCCNC(=O)c2cccc(F)c2)CC1)c1cccc(F)c1 19640902 UYZXLNGROJGZOU-UHFFFAOYSA-N 444.526 2.522 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3ccc(C)cc3)cc2OC)CC1 20481444 MVWXDIPSVHJHDA-QHCPKHFHSA-N 427.589 2.671 0 50 IFAA CN(Cc1ncc[nH]1)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12 20600307 KVJKVPHQEYDQBQ-UHFFFAOYSA-N 435.576 2.780 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cc(C(C)C)nc(N)n3)C2)CC1 55166594 NHKPOXNTKQTDLM-GOSISDBHSA-N 438.576 2.618 0 50 IFAA C=C(C)C/N=C(/N[C@H]1CCCN(C2CCCCC2)C1)[C@H](C#N)C(=O)Nc1ccnn1C 253416798 JKIOKOGAHVVYKD-ICSRJNTNSA-N 425.581 2.860 0 50 IFAA COC(=O)c1sc(S(=O)(=O)Nc2cc(CCC(C)C)[nH]n2)c(C(=O)OC)c1C 469010026 RUMOGQGTXKDTGG-UHFFFAOYSA-N 429.520 2.742 0 50 IFAA O=C(c1ccc(-n2cccn2)cc1)N1CCO[C@@H](CN2CCC(O)CC2)[C@@H]1c1ccccc1 1857729685 HQHBGMOFSKDHAX-DQEYMECFSA-N 446.551 2.911 0 50 IFAA CC(C)(C)OC(=O)N1CC2(CCC2)CC[C@H]1C(=O)N1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1 1875325645 RFWLJHKZQUBDEX-QAPCUYQASA-N 445.564 2.784 0 50 IFAA Cc1nn(C)cc1CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 2325825315 MDPYMRXAWFDHPA-APWZRJJASA-N 447.461 2.962 0 50 IFAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)CCc2cnn(C)c2)C1 11874002 UYKNJNRULGNVQO-JOCHJYFZSA-N 441.620 2.664 0 50 IFAA CCN1C(=O)C[C@](CC(=O)N(C)CCc2cn[nH]c2)(c2cccc(C(F)(F)F)c2)C1=O 12050964 CREHPUUIFBYLIL-HXUWFJFHSA-N 436.434 2.536 0 50 IFAA CN1CCCN(C(=O)c2cc(NC3CCCC3)cc(S(=O)(=O)NC(C)(C)C)c2)CC1 14750703 IFSUTKWRFVMKRP-UHFFFAOYSA-N 436.622 2.896 0 50 IFAA COCc1c(C(=O)NCc2ccccn2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 15067365 JMBMWSFATNMGTL-UHFFFAOYSA-N 426.480 2.899 0 50 IFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(OC)c(Cl)c1 19799609 HURWVUQWEFZGKZ-UHFFFAOYSA-N 425.942 2.523 0 50 IFAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCC[C@@H](C)C4)CC3)c2c1 20177469 XXDYAWKGAGMQHO-GOSISDBHSA-N 427.545 2.568 0 50 IFAA CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C 22129837 FBHSPRKOSMHSIF-RBWIMXSLSA-N 441.524 2.563 0 50 IFAA CC1(C)C[C@]1(CNC(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1)c1ccccc1 55211965 IXBVQJQWCQOLDV-VWLOTQADSA-N 446.555 2.885 0 50 IFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)[C@H](C)Oc4ccccc4)ccn3n2)c1 169777073 MJZVTIKMLWQWAY-KRWDZBQOSA-N 432.480 2.755 0 50 IFAA C[C@@H]1CN(CC(=O)NC[C@H]2CCS(=O)(=O)C2)c2ccccc2N(Cc2ccccc2)C1 252666093 AMIVIOXLGKSOEE-PZJWPPBQSA-N 441.597 2.700 0 50 IFAA Cc1noc([C@@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)n1 1875334102 YHBTWMRGLHDHEW-KGLIPLIRSA-N 444.410 2.812 0 50 IFAA COc1ccc([C@H](CC(=O)NCCc2ccncc2)c2c(O)nc3ccccn3c2=O)cc1 2049512035 OQEAIMUGULCOLS-FQEVSTJZSA-N 444.491 2.685 0 50 IFAA O=C1CC[C@@H](N2C(=O)c3ccc(OCc4ccccc4C(F)(F)F)cc3C2=O)C(=O)N1 2325893878 MSGUDHUVYHGZIM-MRXNPFEDSA-N 432.354 2.686 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccccc1OC 6489442 PEBHRDUDLKKOOT-CKNGIZQFSA-N 434.517 2.807 0 50 IFAA COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)C1CCCCC1)CC2 11913340 NJUIRMRIHKKSFY-UHFFFAOYSA-N 439.512 2.574 0 50 IFAA C/C=C(\C)CNc1cc(C(=O)N2CCCN(C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1 14749050 PNIPERIWTJNZOX-REZTVBANSA-N 436.622 2.919 0 50 IFAA COC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2)CN1Cc1cc(C)c(OC)cc1C 15004157 OHGXQPLEAWDTER-RTWAWAEBSA-N 428.504 2.926 0 50 IFAA CCc1nc(C)c(CN2CCc3c(c(C(=O)N4CCOCC4)nn3Cc3ccccc3)C2)[nH]1 20601851 KTGPEDGDWLZGLW-UHFFFAOYSA-N 448.571 2.556 0 50 IFAA CCCN1CCN(c2ccc(NC(=O)[C@H](C)NC(=O)c3ccoc3)c(OCC)c2)CC1 225555785 XWHDPRXJLPPXQN-KRWDZBQOSA-N 428.533 2.967 0 50 IFAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3C(=O)C[C@]21C)OCCO5 257359276 ZIQSUIGZEYCTRR-ROSOTPNCSA-N 446.540 2.735 0 50 IFAA O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)cc3OC(F)F)cc2)C1 460835726 HAUYQBWQCOEIFZ-JTQLQIEISA-N 444.387 2.665 0 50 IFAA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)C1 1339064292 YTWLXCSEJHZBSI-YJLYGGOZSA-N 441.576 2.537 0 50 IFAA Cc1noc(-c2ccc(S(=O)(=O)N3CCC[C@@]4(CCc5cnc(N)nc54)C3)o2)c1C 1704312705 JERRYDDUFYLVOY-HXUWFJFHSA-N 429.502 2.592 0 50 IFAA O=C(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)OCC(F)(F)F 2325749088 HFMRMBRXLAWXEN-LLVKDONJSA-N 449.234 2.962 0 50 IFAA COc1cc2c(cc1OC)N(C(=O)[C@@H](N)c1cccc(I)c1)CC2 2325860630 OCFCOKJBNIEPCM-KRWDZBQOSA-N 438.265 2.898 0 50 IFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCC[C@@H]4c4ccccc4)ccc3C2=O)C(=O)N1 2325896892 JTEAVNJBVKIXOH-UXHICEINSA-N 432.480 2.817 0 50 IFAA C[C@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2 11976950 DICVABDUUDQSQN-INIZCTEOSA-N 430.984 2.509 0 50 IFAA COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1 14536069 NQOYZCOQSSJLPR-UHFFFAOYSA-N 437.496 2.853 0 50 IFAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN(C1CCOCC1)CC2 14540247 JYQFUAVMTBEJFP-UHFFFAOYSA-N 445.560 2.510 0 50 IFAA CCCN1CCN(C(=O)[C@@H]2CC(=O)c3sc(NC(=O)c4cccs4)nc3C2)CC1 14987802 CSDRDMCVWHHVSS-ZDUSSCGKSA-N 432.571 2.756 0 50 IFAA Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)Cc2ccc(Cl)cc2)cc1 19849761 AAUJXLJVFJSECN-UHFFFAOYSA-N 435.977 2.613 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCCc3ccccc3C)cc2OC)CC1 20601193 CJXIMHLMYRFRQZ-DEOSSOPVSA-N 441.616 2.713 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CSc3ccccn3)C2)CC1 55383955 WCMXYCXXGZHUSR-LJQANCHMSA-N 426.586 2.996 0 50 IFAA O=C(CN1CCC(n2cc(NS(=O)(=O)C(F)F)cn2)CC1)NC1CCCCCCC1 170598203 HGSMGFBTCYUZAN-UHFFFAOYSA-N 447.552 2.713 0 50 IFAA C[C@H]1CN(CC(=O)N[C@H](C)c2cccc3ccccc23)CCN1c1nccn2cnnc12 221947864 VGZDXPCHLSSYJO-ZWKOTPCHSA-N 429.528 2.665 0 50 IFAA O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1)N1CCN2C(=O)NC[C@@H]2C1 431592169 LQYDMRGXVYTTKK-MALNDZBISA-N 446.551 2.849 0 50 IFAA Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3cccc([C@@]4(C)NC(=O)NC4=O)c3)[nH]c2c1 1330905140 XYHORHJOFCMZJE-YADARESESA-N 446.511 2.973 0 50 IFAA Cc1cs/c(=N\c2ccc3c(c2)OCCO3)n1[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1875256805 AGELSOGCSWPFPF-SWKFUYSRSA-N 436.555 2.770 0 50 IFAA COc1ccc(-c2nc(CC(=O)NS(=O)(=O)c3cnc4ccccc4n3)cs2)cc1 1875351416 VQBAOGPHWOKPOI-UHFFFAOYSA-N 440.506 2.810 0 50 IFAA Cc1c(-c2ccncc2)[nH][nH]c1=NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O 2325710837 STVBAAWHECAWSA-CQSZACIVSA-N 440.301 2.956 0 50 IFAA C[C@@H](NC(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O)C(C)(C)c1ccccc1 2325886620 CTQKFHYBURZLRL-FOIQADDNSA-N 433.508 2.544 0 50 IFAA O=C1CC[C@H](N2Cc3c(C(=O)NCc4ccc5ccccc5c4)cccc3C2=O)C(=O)N1 2325887165 WUPIFJYVXDWEDT-NRFANRHFSA-N 427.460 2.531 0 50 IFAA O=C1CC[C@@H](N2Cc3ccc(CNc4ncnc5sc6c(c45)CCC6)cc3C2=O)C(=O)N1 2325897875 LGFXQEDJHGCKEI-MRXNPFEDSA-N 447.520 2.553 0 50 IFAA CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2ccc(NC(C)=O)s2)CC3)CC1 11908952 FJGLIWIHDITADB-GOSISDBHSA-N 448.589 2.609 0 50 IFAA COCCN1C(=O)C[C@@](CC(=O)N(C)Cc2ccc(F)cc2)(c2ccccc2OC)C1=O 12098964 NIWJMWFFEYEYGP-DEOSSOPVSA-N 442.487 2.526 0 50 IFAA CO[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)C1 12159853 CMHPTWFDODBOSN-CPJSRVTESA-N 435.524 2.614 0 50 IFAA COc1ccccc1[C@@]1(CC(=O)N(C)Cc2cccc3ncccc23)CC(=O)N(C)C1=O 14976002 WNELOGYLAPWHJM-RUZDIDTESA-N 431.492 2.919 0 50 IFAA CCCN1CCN(C(=O)C[C@@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)CC1 19952259 UVUIMAOUFPAKMB-RUZDIDTESA-N 448.611 2.563 0 50 IFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCc2nc(C)cc(C)n2)c1 76835798 TXGVMWQUSJZRNQ-UHFFFAOYSA-N 438.528 2.812 0 50 IFAA C[C@H]1COC[C@H](C)N1C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 170636739 RLSBMCKAFAYHTD-UWVGGRQHSA-N 428.308 2.929 0 50 IFAA O=C(CNS(=O)(=O)c1c(F)cccc1F)N[C@@H]1CCc2c(Br)cccc21 253404781 RJJVUXLSUWKJMP-OAHLLOKOSA-N 445.285 2.809 0 50 IFAA C[C@]1(C2CCN(C(=O)Cc3cscn3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O 299781543 LLMRFOISDNEMRX-OAQYLSRUSA-N 430.505 2.574 0 50 IFAA CN1CCc2ccc(NC(=O)C(=O)NCC3(CCOCc4ccccc4)CC3)cc2C1=O 473314635 JPOUKCAUENJEDQ-UHFFFAOYSA-N 435.524 2.757 0 50 IFAA CCCCNC(=O)[C@H](c1cnc(N(C)C)nc1)N(C(=O)c1ccccc1)c1nn(C)cc1C 2325827038 SVMKZAKWVKPTEX-FQEVSTJZSA-N 449.559 2.889 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1cccs1 624625 INOKDTWEHYROKC-QMJOVRGKSA-N 428.510 2.999 0 50 IFAA COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1Br 1137681 PECGIJSQJACUEA-UHFFFAOYSA-N 448.298 2.810 0 50 IFAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 1153904 CDZKYUPKOOAALK-UHFFFAOYSA-N 426.897 2.529 0 50 IFAA CCOC(=O)C(=CNc1cccc(NC=C(C(=O)OCC)C(=O)OCC)c1)C(=O)OCC 4707266 HFDSGFHFBSTABU-UHFFFAOYSA-N 448.472 2.531 0 50 IFAA CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)O)CC2)cc1 17100602 SBCLZMFFHNJUSF-WOJBJXKFSA-N 436.574 2.753 0 50 IFAA C[C@H]1CCc2c(sc(NC(=O)CN3CCN(Cc4ccc(F)cc4)CC3)c2C(N)=O)C1 19641497 CXFROJBVTIJAMF-HNNXBMFYSA-N 444.576 2.867 0 50 IFAA Cc1cccc(CN2CCC(N3CCC(C(=O)N(C)C[C@@H]4CCCN(C)C4)CC3)CC2)n1 97436857 NZOPIXMXYYFDNV-JOCHJYFZSA-N 441.664 2.867 0 50 IFAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)NC3CCCCCCC3)N=C2O)cc1OC 252527793 DJFPEHHOGPSEFA-GOSISDBHSA-N 431.533 2.990 0 50 IFAA O=C(Nc1ccc(Sc2ccncc2)cc1)C1CCN(c2ccc3nnnn3n2)CC1 435375296 LPENYKIRUTYPMO-UHFFFAOYSA-N 432.513 2.921 0 50 IFAA C=CC(=O)NC[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1nn(C)c2c1COCC2 1875383106 GTUDOLMCJALCHW-TZIWHRDSSA-N 436.556 2.649 0 50 IFAA Cc1ccccc1[C@]1(CC(=O)N2CCCC[C@H]2CO)CC(=O)N(Cc2ccccc2)C1=O 11909151 QYPRADZMHSPECT-LVXARBLLSA-N 434.536 2.955 0 50 IFAA COCc1ccc(CN2CCc3c(c(C(=O)N[C@@H](C)c4ccccc4)nn3CCO)C2)o1 14742651 PJLNBVMBEATHJN-KRWDZBQOSA-N 438.528 2.664 0 50 IFAA COc1cc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)cc(OC)c1OC 14991734 KDBXKAMQYMJZPQ-GOSISDBHSA-N 445.564 2.887 0 50 IFAA COc1cc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1C 19607011 FOFNBGGYPUEWEP-GOSISDBHSA-N 441.576 2.566 0 50 IFAA COC(=O)c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1 247861074 WCRQSCXWTPREOC-JTYVBTRNSA-N 432.476 2.837 0 50 IFAA Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1 1875258694 DVRWNQQIGGLIEV-UXHICEINSA-N 448.610 2.826 0 50 IFAA C=CC(=O)N(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)cc1 2325889642 CSDPCJPXXJVJPM-UHFFFAOYSA-N 447.582 2.660 0 50 IFAA O=C1CNC(=O)N1CCN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1 2325901769 XBQJUZBTMWCYPY-UHFFFAOYSA-N 439.903 2.693 0 50 IFAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 3875417 LQOLIRLGBULYKD-JKIFEVAISA-N 435.889 2.549 0 50 IFAA biogenic,world COC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccccc1OC(C)C 6242359 KWNVZOBIIXDKGR-JCAJYURWSA-N 449.532 2.590 0 50 IFAA CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CCN(C(=O)c1ccnc(Cl)c1)CC2 11788579 KOTMNNFDENBXOD-SFHVURJKSA-N 442.907 2.745 0 50 IFAA CN1CCC(N(C)Cc2cccc(OC[C@H]3CCCN(C(=O)c4cnsn4)C3)c2)CC1 11840773 MSCRXJKRAPGTOH-IBGZPJMESA-N 443.617 2.995 0 50 IFAA COCCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccc(C)o4)n3)c2C2CC2)CC1 12047645 PKJHHVOQVILSKL-UHFFFAOYSA-N 436.516 2.512 0 50 IFAA CC(=O)CCC(=O)N1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N(CC3CC3)C2=O)CC1 12197643 ZAJHTEMNCZKMNV-XMMPIXPASA-N 443.519 2.677 0 50 IFAA CCCN(C[C@H]1CCCO1)C(=O)C[C@]1(c2ccccc2C)CC(=O)N(CCCOC)C1=O 12571021 HPEZVWDZRQDPOW-CJFMBICVSA-N 444.572 2.836 0 50 IFAA CC(C)S(=O)(=O)c1ncc(CN(C)CCc2cnn(C)c2)n1Cc1ccccc1F 20785250 PDZQAWVEGVCWRJ-UHFFFAOYSA-N 433.553 2.661 0 50 IFAA CC1=NS(=O)(=O)N(Cc2ccccc2)C=C1C(=O)OCc1nc(-c2ccccc2)no1 169760411 BTSWCUMHCYFYAH-UHFFFAOYSA-N 438.465 2.885 0 50 IFAA O=C(COc1ccccc1)NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 263615724 DVMQVMGKPGNTJK-DEOSSOPVSA-N 447.539 2.709 0 50 IFAA C[C@H](CCc1ccccc1)NC(=O)Cn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 263618394 STLFIMGSQKDUKH-GOSISDBHSA-N 430.508 2.793 0 50 IFAA O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1cnn(Cc2ccccc2)c1 749061462 RYVBKPSJOMFKJE-UHFFFAOYSA-N 434.315 2.742 0 50 IFAA Cc1ncncc1C(=O)N1CC[C@]2(CCCCN(C(=O)c3cc(C(C)(F)F)n[nH]3)C2)C1 1875322656 ZTVRQVFTRZBDEM-NRFANRHFSA-N 432.475 2.778 0 50 IFAA O=C(NC[C@@H]1C[C@H]2OCC[C@@H]2O1)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 1875352493 JJAYBVDTIVJWIJ-PCCBWWKXSA-N 434.500 2.651 0 50 IFAA Cc1cccc(Cn2c(=O)oc3cc(NC(=O)c4cn(C[C@@H]5CCCN5)nn4)ccc32)c1 2325821567 ZCOGASBOELXPLY-SFHVURJKSA-N 432.484 2.547 0 50 IFAA COc1cccc2c1C1(CCN(C(=O)[C@@H]3CC(=O)N(c4nccs4)C3)CC1)OCC2 2356164443 STIPDMLVUSBYMQ-MRXNPFEDSA-N 427.526 2.595 0 50 IFAA O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1 1125176 CVXUDRBMWIYFDE-UHFFFAOYSA-N 449.484 3.000 0 50 IFAA O=C(CC[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1)NC[C@H]1CCc2ccccc2O1 11882094 BGJMUVUEOOGPKS-KBMIEXCESA-N 436.508 2.897 0 50 IFAA O=CN1CCCN(C(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 12612891 NHNZLTXOAHKCCM-HXUWFJFHSA-N 433.556 2.539 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1ccc2c(c1)OCO2 12744808 MVNASUKPYIHISD-OAQYLSRUSA-N 431.492 2.575 0 50 IFAA O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1C(F)(F)F 13322503 WSXXVQBXVSCQLT-UHFFFAOYSA-N 427.448 2.650 0 50 IFAA Cc1c(CN2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCC(C)C)cnn1C 14744274 SUGLBTSYZWJIGU-UHFFFAOYSA-N 438.576 2.969 0 50 IFAA CCCC1=C(C(=O)OCC)[C@@H](c2cc(OCC)c(OCC(N)=O)cc2Cl)NC(=O)N1 16362018 GOZZTSWBHFWXJD-GOSISDBHSA-N 439.896 2.574 0 50 IFAA Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1 253415269 STXPDPYAFAFEPZ-XZUPSWAGSA-N 445.566 2.602 0 50 IFAA CC[C@H](C)C(=O)N1CCC([C@]2(CCc3ccccc3)NC(=O)N(CCN(C)C)C2=O)CC1 299758533 MJQWKSUXHMBSQB-DFBJGRDBSA-N 442.604 2.756 0 50 IFAA COC(=O)CCOc1ccc(NC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)cc1 486875888 ALTWWDNWOCIIFG-OAQYLSRUSA-N 441.459 2.935 0 50 IFAA COCCn1c(-c2ccc(-c3ccc(C(=O)O)cc3)o2)nc2cc(S(N)(=O)=O)ccc21 1341200023 BIOVADRBDJMWAN-UHFFFAOYSA-N 441.465 2.955 0 50 IFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2cc(-c3ccc(C)o3)[nH]n2)cc1OC 1529171728 AJVUIOLQLVSCLH-NHCUHLMSSA-N 427.457 2.570 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nc3cccc(C)c3[nH]2)C1 1857685369 SUTUIUKICAQKGC-OHUGHZGNSA-N 439.604 2.700 0 50 IFAA CCOC(=O)C1CCN(C2CCN(C(=O)c3cn(Cc4ccccc4C)nn3)CC2)CC1 12593796 KMEZECUKWRPSEY-UHFFFAOYSA-N 439.560 2.515 0 50 IFAA CCC[C@@]1(C2CCN(Cc3cccnc3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 299764909 WFHAHICNDFHHDQ-QPPBQGQZSA-N 427.593 2.869 0 50 IFAA O=C(c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1)N1CCCc2ccccc21 408524955 CQOHTFVNOMYHSS-CQRJNKKSSA-N 438.549 2.669 0 50 IFAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)N3CCCN(Cc4cccs4)CC3)ccc21 1506418752 ULCIQMUUHPLNAW-SFHVURJKSA-N 439.585 2.554 0 50 IFAA CCOC(=O)[C@H](NC(=O)[C@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1875306234 YDXICBDXBACRHR-NVXWUHKLSA-N 440.924 2.944 0 50 IFAA C[C@H](c1nc2ccccc2o1)n1cc(-c2cccc(NCC(=O)N3CCOCC3)c2)nn1 2325776793 ZUBZRIVXCBSMHZ-MRXNPFEDSA-N 432.484 2.966 0 50 IFAA C[C@@](NC(=O)CCn1nnc2ccccc2c1=O)(C(=O)O)c1cc(Cl)cc(Cl)c1 2325851497 AGQMHOAZOBSMIE-IBGZPJMESA-N 435.267 2.605 0 50 IFAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCC(c5cccs5)CC4)ccc3C2=O)C(=O)N1 2325896409 XZZPNKYNKSUPHL-SFHVURJKSA-N 437.521 2.529 0 50 IFAA CC1(C)c2ccccc2CCN1C(=O)Nc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325901369 BEORVCHYIUICFG-FQEVSTJZSA-N 446.507 2.773 0 50 IFAA C[C@@H]1Cc2ccccc2N(C(=O)Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325901468 HNCSPVMRHNTKTR-JLTOFOAXSA-N 432.480 2.678 0 50 IFAA CC(C)[C@]1(C)C[C@H]1C(=O)N=[S@]1(=O)CCCN(C(=O)Cc2cn3cc(F)ccc3n2)CC1 2332238718 JKICUOQTCFSGPJ-JGNXPCGYSA-N 448.564 2.925 0 50 IFAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCc2cc(F)ccc2C)c1 12591889 CUGVICLSSMUPPG-JOCHJYFZSA-N 432.536 2.629 0 50 IFAA COc1cc(-c2nnc(SCC(=O)NCc3ccccc3)n2C)cc(OC)c1OC 17095906 NHORSZXBJMWFEJ-UHFFFAOYSA-N 428.514 2.916 0 50 IFAA Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 17359865 MFEIZMHODFOWAT-UHFFFAOYSA-N 440.731 2.739 0 50 IFAA O=C(c1nc2ccccn2c1CN1CCC[C@@H](CO)C1)N1CCN(C2CCCCC2)CC1 19222125 AJIZJTVBUGMEIZ-HXUWFJFHSA-N 439.604 2.629 0 50 IFAA O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccc(Br)cc1 20109796 GQDSRIHKNTXKJJ-UHFFFAOYSA-N 432.318 2.763 0 50 IFAA Cc1ccc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(C)cc3)CC2)cc1 22921281 SMZZALTWBJHHHP-UHFFFAOYSA-N 436.600 2.861 0 50 IFAA CC1(C)C[C@@]1(CNC(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1)c1ccccc1 55211964 IXBVQJQWCQOLDV-RUZDIDTESA-N 446.555 2.885 0 50 IFAA O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCn1ccc2ccc(Cl)cc21 223228489 CAMJXVNPBWRSOB-QGZVFWFLSA-N 428.876 2.905 0 50 IFAA O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(F)cc1 245329486 ZNMFUECAVDMKNF-IMIIHFCZSA-N 441.462 2.993 0 50 IFAA OCc1ccc(CN2CCOc3ccc(CN4CCN(c5ccccn5)CC4)cc3C2)o1 299787359 WDOUYLWXHUMOEM-UHFFFAOYSA-N 434.540 2.884 0 50 IFAA CC(=O)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952864695 YWQHLCJRXPLFCK-ZCYQVOJMSA-N 443.507 2.839 0 50 IFAA CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(F)(F)F)nc2)cc1 1875254304 UAWKGJIMFXVAFX-KRWDZBQOSA-N 434.418 2.980 0 50 IFAA O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CC[C@@H](OCC2CC2)C1 1875301619 NCSRORSRPUIXSO-SJORKVTESA-N 427.423 2.901 0 50 IFAA Cc1noc(Cl)c1CCC(=O)NC1CC(NC(=O)CCc2c(C)noc2Cl)C1 2325715865 BZWOPUVAUGUSAP-UHFFFAOYSA-N 429.304 2.915 0 50 IFAA CCSc1nc2ccccc2n1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1469870 MQELSEBFDCUFQU-UHFFFAOYSA-N 431.539 2.858 0 50 IFAA CCN(CC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 2887224 CVLSMJYDHVZNEN-UHFFFAOYSA-N 430.313 2.742 0 50 IFAA O=C(COc1ccccc1)NCCc1nnc2n1CCN(C/C=C/c1ccccc1)CC2 11841529 VEISISKXBNQIDG-JXMROGBWSA-N 431.540 2.587 0 50 IFAA COc1ccccc1[C@@]1(CC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)CC(=O)N(C)C1=O 12205404 IHCDOGCRNNKROT-BCHFMIIMSA-N 448.519 2.833 0 50 IFAA O=C(c1cc(COc2cccc3cccnc23)on1)N1CCN(C(=O)c2ccco2)CC1 12386804 FXXDVHLIXJRPAO-UHFFFAOYSA-N 432.436 2.993 0 50 IFAA CCCC(=O)N1CCc2c(c(C(=O)NCc3ccc(OC)cc3)nn2Cc2ccccn2)C1 14538340 QOIBHIVNFASXHI-UHFFFAOYSA-N 447.539 2.950 0 50 IFAA CC(C)c1cc(C(=O)N2CC(=O)N(Cc3cccnc3)C[C@H](OCc3ccccc3)C2)[nH]n1 14538499 FVNZQOCJZSKHTE-NRFANRHFSA-N 447.539 2.998 0 50 IFAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 15746237 VELFLYBNDMTWJG-WQJNHMDYSA-N 448.431 2.591 0 50 IFAA COCCN1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1 19838391 RKQBWVFHOUHTGX-UHFFFAOYSA-N 449.599 2.721 0 50 IFAA O=C(NCCc1cscn1)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 20782993 KHHRRXMENJIBMX-QPJJXVBHSA-N 437.569 2.935 0 50 IFAA Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(N2CCCCC2)n1 65362347 XTOWGGOXXRLGSK-UHFFFAOYSA-N 437.516 2.564 0 50 IFAA Cc1sc2nc(CS[C@@H](C)C(=O)NC3(CO)Cc4ccccc4C3)[nH]c(=O)c2c1C 225444605 KSCXDDRUFQOADX-AWEZNQCLSA-N 443.594 2.869 0 50 IFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)N1CCO[C@H](c2ccccc2)C1 252523122 BXKPNTSNIZNCMP-MOPGFXCFSA-N 427.888 2.955 0 50 IFAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C5CCCCC5)CC4)c3CO2)cc1 263616782 KMZCSNBQFMSDEQ-NRFANRHFSA-N 425.533 2.649 0 50 IFAA CC(=O)c1c(C)cc(C)c(CN2C(=O)[C@](C)(c3ccc(S(N)(=O)=O)cc3)N=C2O)c1C 328593455 VJWRXLDWASRILD-QFIPXVFZSA-N 443.525 2.633 0 50 IFAA CC1(C)CCCC[C@H]1COC(=O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325886790 JBLKMAGTNVDBHU-PKOBYXMFSA-N 441.528 2.890 0 50 IFAA CC1(C)CCC[C@H](OC(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)C1 2325887164 WRCGRDFQEXUIEP-WMZOPIPTSA-N 427.501 2.643 0 50 IFAA O=C(N=[S@]1(=O)CCCN(C(=O)C[C@@H]2CC[C@H](C3CC3)O2)CC1)c1cnn(C2CCC2)c1 2332238827 NKWDJZITMFMBNM-SQDCYFTFSA-N 448.589 2.796 0 50 IFAA CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2ccc4nsnc4c2)CC3)CC1 12030768 ZVOLUDXNKCZSIV-QGZVFWFLSA-N 443.573 2.594 0 50 IFAA COc1ccccc1[C@@]1(CC(=O)N2CCN(c3cc(C)ccc3C)CC2)CC(=O)N(C)C1=O 12041829 QNLKUQCDDRHRBK-SANMLTNESA-N 449.551 2.677 0 50 IFAA CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CN1CCOC1=O 12715361 HBQSWTGTZSZMGT-UHFFFAOYSA-N 427.467 2.871 0 50 IFAA CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)N[C@H]1c1ccc(O)cc1 101492857 UGWXCSWOPVXWNJ-FQEVSTJZSA-N 444.509 2.654 0 50 IFAA O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)N1CCN(c2cccc(Cl)c2)CC1 169760021 HNPACLWUZDQXQS-UHFFFAOYSA-N 439.947 2.767 0 50 IFAA COc1ccc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@@H]2CCS(=O)(=O)C2)cc1OC 334158659 ZRSJBLRRPXTWBW-QGZVFWFLSA-N 441.509 2.601 0 50 IFAA O=C1COc2cc(S(=O)(=O)N3CC[C@@H](c4ccccc4)C3)c(Br)cc2N1 477165829 TWUWFXKACLZUEW-CYBMUJFWSA-N 437.315 2.958 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 785174 RMTZNDFPRZBHMB-UHFFFAOYSA-N 430.404 2.881 0 50 IFAA COc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1OC 8441422 OKIJXRJWFMQZJO-URFJDIBFSA-N 436.501 2.647 0 50 IFAA CC(=O)c1ccc(C(=O)N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 12201059 RLUSOUKSTFGHRO-RUZDIDTESA-N 433.508 2.952 0 50 IFAA CN1CCC(C(=O)N2CCC(Oc3ccc(CN(C)Cc4cnn(C)c4)cc3)CC2)CC1 12454818 QNIUFPFXKIEFFG-UHFFFAOYSA-N 439.604 2.764 0 50 IFAA CC(C)Cn1cc(C(=O)NC[C@H]2OCCc3ccccc32)c(=O)c(C(=O)NC(C)C)c1 14976195 BFZDELNYWSFGIA-OAQYLSRUSA-N 425.529 2.686 0 50 IFAA CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CN2C(=O)CSC2=O)C1 15071760 GNVKHSDXLYRLKI-FQEVSTJZSA-N 438.933 2.750 0 50 IFAA Cc1c(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)c(=O)n(-c2ccccc2)n1C 20782232 PZPFVQZOCFSIJC-FQEVSTJZSA-N 426.586 2.615 0 50 IFAA COc1ccc(OC)c(-c2nc(O)c3c(S(C)(=O)=O)nn(-c4ccccc4)c3n2)c1 35066925 QGABOHJFEJUIRG-UHFFFAOYSA-N 426.454 2.609 0 50 IFAA CCOC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@H](c2ccc(C)cc2)C2=C1COC2=O 169757938 MFQWPSJJCDVVLN-NRFANRHFSA-N 449.463 2.688 0 50 IFAA Cc1sc2[nH]c(CCC(=O)N3CCN(c4cccc(F)c4)C(=O)C3)nc(=O)c2c1C 170596254 STQJUWQDXBDBJR-UHFFFAOYSA-N 428.489 2.549 0 50 IFAA CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 241719788 QPPZFMUEXZZDBD-PROFCWERSA-N 435.476 2.923 0 50 IFAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 734797989 NGBHENYLHDMKLM-NRFANRHFSA-N 428.558 2.696 0 50 IFAA CN(C)C(=O)c1ccc2c(c1)N(C)[C@@H](CC(=O)N(C)Cc1ccc3nsnc3c1)CO2 1506396152 ATCBXWPMFLNHHX-INIZCTEOSA-N 439.541 2.639 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCn2ccc3ccccc32)C1 1857683154 DMUAOZLEUCJZCG-MVERNJQCSA-N 438.616 2.970 0 50 IFAA C[C@@H]1Oc2ccc(C(=O)CS[C@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)cc2NC1=O 1857798938 GYRADBSDTXACCE-NWDGAFQWSA-N 440.477 2.924 0 50 IFAA Cc1c(NC(=O)[C@@H](C)N2CCCc3cc(CCN)ccc32)c(=O)n(-c2ccccc2)n1C 2325850933 LIABMOLWRZCFEB-GOSISDBHSA-N 433.556 2.765 0 50 IFAA Cc1ccc(CN2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)o1 1179463 MMWNVBFWQDHFMJ-UHFFFAOYSA-N 425.529 2.873 0 50 IFAA CCn1c(CCn2nc(C)c(Br)c2C)nnc1SCC(=O)NCC(C)C 2792407 PHHLKLKTKBRBKH-UHFFFAOYSA-N 443.415 2.981 0 50 IFAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NC[C@H]2CCc3ccccc3O2)c1=O 12133140 QPHBAGOIXXGJJE-HXUWFJFHSA-N 445.519 2.770 0 50 IFAA CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)[C@@H]1CCCN(C)C1 12201023 HOOILTKWHQAEJZ-RUZDIDTESA-N 440.676 2.988 0 50 IFAA CCCC(=O)N1CCC([C@]2(Cc3ccccc3C)NC(=O)N(CCCN(C)C)C2=O)CC1 12281113 GBKXYNAHKHQBDR-VWLOTQADSA-N 442.604 2.819 0 50 IFAA Cn1cc(CN2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)c2ccccc21 14747315 XBLMLAJPGIYOEU-UHFFFAOYSA-N 443.551 2.855 0 50 IFAA CCN(CC)C(=O)c1cn(C[C@@H]2CCCN(C(=O)CCc3cccc(OC)c3)C2)nn1 14972403 XUUPCUXDYLAEFH-LJQANCHMSA-N 427.549 2.640 0 50 IFAA Cc1ccc2nc(NC(=O)CSC(=S)N3CCN(CCN(C)C)CC3)sc2c1 43214978 PORCZUNNPGBSEA-UHFFFAOYSA-N 437.660 2.741 0 50 IFAA O=C(c1ccncc1)N1CCC2(CC[C@@H](CNC(=O)C3(N4CCCC4)CCCC3)O2)CC1 299760905 PZRCAOAYHWCKGH-NRFANRHFSA-N 440.588 2.760 0 50 IFAA Cn1c(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)ccc1-c1ccccc1 670457517 QDCKBTNSKAVFMP-PIFVYSLYSA-N 426.564 2.990 0 50 IFAA COc1ccc(CNC(=S)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 788345497 ZWNZOILTPOGENL-IBGZPJMESA-N 445.560 2.516 0 50 IFAA CC[C@H](NC(=O)[C@H](NC(=O)C1CCCC1)[C@H](C)O)[C@@H](O)c1ccc(C(F)(F)F)cc1 1875258137 BGBWUQTVTQJHDV-BIMQEMHKSA-N 430.467 2.689 0 50 IFAA CCn1nc(C)c(CN2CCOc3ccc(CN4CCC[C@@H](C(N)=O)C4)cc3C2)c1C 11969186 OTDYTUYLOYZDMK-HXUWFJFHSA-N 425.577 2.612 0 50 IFAA O=C1CC[C@H](C(=O)N2CCN(c3ncccn3)CC2)CN1Cc1cccc(C(F)(F)F)c1 12072609 IQFFUQNMOZDEEJ-KRWDZBQOSA-N 447.461 2.583 0 50 IFAA O=C(CCC1CCN(C(=O)CCc2cnccn2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 12074664 AHMWQYQQJSHNLP-DEOSSOPVSA-N 449.599 2.819 0 50 IFAA COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)c(OC)c1 13944078 QQEOHRPXLRBKSZ-INIZCTEOSA-N 427.476 2.545 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3cccc(F)c3F)cc2OC)CC1 20351933 XSESQTWRMSFIDW-FQEVSTJZSA-N 449.542 2.640 0 50 IFAA O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1c(Cl)cccc1Cl 35395541 PJKMLRZNSMPXCR-UHFFFAOYSA-N 434.370 3.000 0 50 IFAA CCN(CC)C(=O)c1cn([C@H]2CC[C@@H](NC(=O)c3ccc(OC)c(OC)c3)CC2)nn1 247911621 KTDNPVJZEPXOEU-CALCHBBNSA-N 429.521 2.691 0 50 IFAA CCOc1ccc(CN2CCN(CN3C(=O)N[C@]4(C3=O)[C@@H](C)CCC[C@H]4C)CC2)cc1 252457349 AYWFUCMFKXESGH-HROJSSOGSA-N 428.577 2.907 0 50 IFAA COc1ccc(N2C(=O)[C@@H](CC(=O)NCc3cc(Cl)cc4c3OCOC4)N=C2O)cc1 252510002 YZTVFAAOUNRETL-QGZVFWFLSA-N 445.859 2.551 0 50 IFAA O=C(O)CC[C@]12CN(CCn3cc(Cl)cn3)C[C@H]1CN(Cc1ccncc1Cl)C2 1772813989 DQUCRBLZJUGTAK-OXJNMPFZSA-N 438.359 2.884 0 50 IFAA CCC(=O)N1C[C@H]2CN(S(=O)(=O)c3sc4ccc(Cl)cc4c3C)C[C@@]2(CO)C1 1775981201 BBHCSXPOHNEAOY-ORAYPTAESA-N 442.990 2.715 0 50 IFAA O=C(NC[C@H]1CCCN(C(=O)c2nnc3ccccc3c2O)C1)c1ccncc1Cl 1875253535 DZNPLQFDDOSTFD-CYBMUJFWSA-N 425.876 2.666 0 50 IFAA CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1)n1cc(CCO)nn1 2325850620 CYBMKZSDMOEBCY-LEWJYISDSA-N 442.560 2.613 0 50 IFAA COCCNC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 2953229 LZXMSDHRCLLDFV-UHFFFAOYSA-N 431.341 2.947 0 50 IFAA COc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC 3004477 XUBWLGBIYLERSV-UHFFFAOYSA-N 442.468 2.932 0 50 IFAA COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)O)n1 4098944 RYVIXQCRCQLFCM-UHFFFAOYSA-N 430.373 2.584 0 50 IFAA biogenic,in-vitro O=S(=O)(NC[C@H]1CCCN(Cc2cccc3nonc23)C1)c1cccc2cccnc12 11879314 PKJOVCZDCRFLSC-MRXNPFEDSA-N 437.525 2.962 0 50 IFAA CCOC(=O)C1CCN(C2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)CC1 12464995 SDXDDKOSRIZUQN-UHFFFAOYSA-N 428.533 2.985 0 50 IFAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCCN(C)C)CN(Cc3ccc(O)cc3)C2)cn1 14542764 UTCSSDYJODPHTL-FCHUYYIVSA-N 440.588 2.681 0 50 IFAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3n2)cc1OC 54982103 KOYVUANBJMFZAH-UHFFFAOYSA-N 449.433 2.820 0 50 IFAA COc1ccccc1CN1CCc2c(C(=O)NCCC(C)C)c(OC)cc(=O)n2CC1 299757537 JDOMWVGTKFMBSD-UHFFFAOYSA-N 427.545 2.700 0 50 IFAA CN1CC[C@H](C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c2ccccc21 750728267 INWBSVNFIZTFIK-HNNXBMFYSA-N 429.527 2.901 0 50 IFAA NCc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(Br)cc1-n1cnnn1 1875340581 IZUIUBDXVAPXCO-QGZVFWFLSA-N 427.306 2.691 0 50 IFAA C=CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccnn2C)c1 1875372204 ZUXCYIQXRVHTNO-LJQANCHMSA-N 439.516 2.979 0 50 IFAA COC(=O)C1CCN(C(=O)C2CCN(c3nc(C)c4ccc(OC)cc4n3)CC2)CC1 11871937 LQPYAJCGARIQGW-UHFFFAOYSA-N 426.517 2.575 0 50 IFAA CCn1cc(CN2CC(=O)N(C(C)C)C[C@H](OCc3cc(OC)cc(OC)c3)C2)c(C)n1 14745077 ZPPVEEIDIUPWSE-HSZRJFAPSA-N 444.576 2.867 0 50 IFAA O=C(Nc1nncs1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1 16488936 OAOKUOZDYGSPAI-UHFFFAOYSA-N 428.539 2.899 0 50 IFAA C[C@H]1CCc2c(sc(NC(=O)CN3CCN(Cc4cccc(F)c4)CC3)c2C(N)=O)C1 19641481 DHOZDCOTJRFQQV-HNNXBMFYSA-N 444.576 2.867 0 50 IFAA CC(C)N1CCN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1 19835836 PPILBUQESKRWQN-XMMPIXPASA-N 429.536 2.708 0 50 IFAA CCOc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 95400488 RJSWXUXIBNWNMA-GOSISDBHSA-N 442.493 2.876 0 50 IFAA CSCC[C@H]1NC(=O)c2cc(NC(=O)c3cc(-c4cccnc4)n[nH]3)ccc2NC1=O 206252707 XGGRWEMOMMWJJT-MRXNPFEDSA-N 436.497 2.528 0 50 IFAA C[C@H](C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@H]21)N1C(=O)NC2(CCCC2)C1=O 252516342 SCZFTINAQACSSV-VQHPVUNQSA-N 433.549 2.741 0 50 IFAA Cn1ccnc1C(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C 261361176 XNXPFPGYTGDSCF-KRWDZBQOSA-N 428.489 2.861 0 50 IFAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 409414598 NEUDBCYODBUKHN-JAXLGGSGSA-N 431.577 2.758 0 50 IFAA biogenic Cc1cc(F)ccc1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857724677 MUSFOUFNXYVGFU-UHFFFAOYSA-N 426.492 2.587 0 50 IFAA COC(=O)c1cnn2cc[nH]c(=NCC3(c4cccc(Br)c4)CCOCC3)c12 2325839661 AORKHDPRNKVZJI-UHFFFAOYSA-N 445.317 2.861 0 50 IFAA CCc1nc(C)sc1CNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1 2356167852 FUKBAKDFQRHTDB-RTWAWAEBSA-N 429.542 2.770 0 50 IFAA Cc1ccc(N(Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)S(C)(=O)=O)cc1C 784327 RSFZCABSTQSIIW-UHFFFAOYSA-N 443.569 2.607 0 50 IFAA CCN(CC)C(=O)CSc1nc2ccc(I)cc2c(=O)n1CC 2235112 MIILPTMJMRFOIH-UHFFFAOYSA-N 445.326 2.982 0 50 IFAA COC(=O)c1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 2856718 UUTWYCUISHHNIK-UHFFFAOYSA-N 441.303 2.640 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2ccccc2OC)cc1 6058456 AUKNSDKGNUNOHC-UHFFFAOYSA-N 441.509 2.611 0 50 IFAA O=C(NCCCN1CCCC1=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 9134107 GWAUVKRNXHFPRY-DOMZBBRYSA-N 425.411 2.879 0 50 IFAA CN1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nccn3C)CN2Cc2cc(F)ccc2F)CC1 11789630 YZPDRLOFUMKKKT-QUCCMNQESA-N 449.571 2.598 0 50 IFAA CC(C)OCCCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 11843041 VTSXJPGSLMYFMU-UHFFFAOYSA-N 432.970 2.688 0 50 IFAA COc1ccccc1CN1CCC[C@H](CN(CCN(C)C)C(=O)CCc2cnn(C)c2)C1 11874003 UYKNJNRULGNVQO-QFIPXVFZSA-N 441.620 2.664 0 50 IFAA COC(=O)c1c(NC(=O)Cn2cc(I)cn2)sc2c1CCCC2 12417729 BMRBXNHIPWQEEM-UHFFFAOYSA-N 445.282 2.853 0 50 IFAA COc1cccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)c1 12458338 HQPMWOAZEGWEKF-XMMPIXPASA-N 431.536 2.898 0 50 IFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)N2CCc3ccccc32)C2=C1C(=O)OC2 169758184 KPFATAXMCFEVDL-JOCHJYFZSA-N 433.464 2.552 0 50 IFAA CCC1(CC)CN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)C(C)C)CC[S@]1=O 170597533 QDGLQFZEMFPFIU-HMILPKGGSA-N 442.647 2.756 0 50 IFAA CCC(=O)N1CCC[C@H](C(=O)OCCCN2CCCN(C(=O)OC(C)(C)C)CC2)C1 170617216 CHQXKIUMEGESFI-SFHVURJKSA-N 425.570 2.511 0 50 IFAA C[C@@H](C(=O)NCCNC(=O)c1cccc(Br)c1)n1ccc2ccccc2c1=O 225749090 FAYZOQPONKUERY-AWEZNQCLSA-N 442.313 2.871 0 50 IFAA Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)s2)cs1 1704297166 IECFAIZVIPBCGX-SJLPKXTDSA-N 427.617 2.647 0 50 IFAA O=C(CN1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1)N[C@H](Cc1ccccc1)C(=O)O 2325730284 BVCLMURLCXVWIW-ZEQKJWHPSA-N 435.568 2.787 0 50 IFAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325886658 DOXYPNMBCGETHY-QFQXNSOFSA-N 445.519 2.642 0 50 IFAA COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 980299 FVOIDXXRCJFCPB-UHFFFAOYSA-N 440.905 2.848 0 50 IFAA O=S(=O)(N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 1062660 HCBUFVLQTOCRFR-QZTJIDSGSA-N 430.498 2.533 0 50 IFAA CCn1cc(NC(=O)CCn2cc(Br)c(C)n2)c(C(=O)NCc2ccco2)n1 2805023 XDWBVVNNOOYHGK-UHFFFAOYSA-N 449.309 2.722 0 50 IFAA COc1ccc(CCNC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C)cc1OC 2874407 DCFAZVDOHYHSNQ-AWEZNQCLSA-N 427.526 2.790 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)NCc1csc(Cc2ccccc2)n1 11843717 NSDJHTXJIMJHDG-JOCHJYFZSA-N 448.592 2.783 0 50 IFAA COc1ccc(Cc2cc(C(=O)N3CCN(C(=O)c4ccccc4OC)CC3)on2)cc1 11964340 AGCVDTZHXGJJDP-UHFFFAOYSA-N 435.480 2.881 0 50 IFAA CCOc1cc(CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)ccc1OC 14994367 ZHTVQEOWGNMTEY-LJQANCHMSA-N 429.565 2.967 0 50 IFAA C/C(=C\c1ccco1)CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 64002414 WQIIDCPHGNCXEX-OBGWFSINSA-N 437.519 2.873 0 50 IFAA C[C@H](CCc1ccccc1)NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 263618429 SYAHEHSIQQNHMM-QGZVFWFLSA-N 448.498 2.932 0 50 IFAA O=C1CO[C@H](CNc2cc(C(F)(F)F)ccn2)CN1CC1CCN(CC2CC2)CC1 299775423 JIWMVWQDWWMPQS-GOSISDBHSA-N 426.483 2.862 0 50 IFAA CC(C)Cn1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)cc2c1=O 334162842 ZVWNORROGGUXBB-WSTZPKSXSA-N 443.573 2.717 0 50 IFAA C[C@@H](O)CN1CCN(C(=O)CSc2nccn2-c2ccc(C(F)(F)F)cc2)[C@H](C)C1 476858656 OPCVFITWNIEAHV-HUUCEWRRSA-N 442.507 2.897 0 50 IFAA C[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c2ncnn21 1470089675 XZXMVUYENODLSL-BZNIZROVSA-N 447.904 2.874 0 50 IFAA COC(=O)c1cc(=NC(=O)C(=O)Nc2ccc(SC3CCCCC3)cc2C)[nH]n1C 2325819076 QJVQBQOVDQMCBT-UHFFFAOYSA-N 430.530 2.939 0 50 IFAA COC(=O)c1c(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)sc2c1CCCC2 1795231 CBDKWRIEAZFUJT-ZDUSSCGKSA-N 446.506 2.931 0 50 IFAA Cc1sc(NC(=O)CCCC(=O)Nc2sc(C)c(C)c2C(N)=O)c(C(N)=O)c1C 2133702 VDNAKRUIARBLPX-UHFFFAOYSA-N 436.559 2.989 0 50 IFAA CSc1cccc(CN2CCN3C(=O)[C@H]([C@@H](C)OCc4ccccc4)NC(=O)[C@H]3C2)c1 14732230 CAFVLSVUZZMJEG-YHYVQYDKSA-N 439.581 2.525 0 50 IFAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCc1cnn(C)c1 15063087 SLJXIFPKRLTVDM-NRFANRHFSA-N 429.584 2.794 0 50 IFAA O=C(NCc1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)CC2)c1ccncc1 20450815 NZWKLSOQWBVJFH-UHFFFAOYSA-N 446.433 2.560 0 50 IFAA Cc1nc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)sc1C 20877701 PFBWKRYCZAKGBN-OAQYLSRUSA-N 436.581 2.963 0 50 IFAA CCO[C@@H]1C[C@@H](N(C)C(=O)CN2C(=O)COc3cc(Br)ccc32)C1(C)C 170636652 IDUXWCYYBVWUEC-HZPDHXFCSA-N 425.323 2.837 0 50 IFAA O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 227710987 BJJGGWIDCVGKOP-FTBPSBKWSA-N 448.567 2.848 0 50 IFAA O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1 252552207 URNVCQHOXBBQFU-GOSISDBHSA-N 443.467 2.800 0 50 IFAA O=C(NCc1ccc(Cl)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253427302 LQQAHSBTCDVFIF-MRXNPFEDSA-N 429.325 2.699 0 50 IFAA CC(C)n1ncc2cc(/C=C/C(=O)N(Cc3ccc(C(N)=O)cc3F)C3CC3)c(=O)[nH]c21 816809880 PDAIJYOYUVCUKP-VMPITWQZSA-N 437.475 2.748 0 50 IFAA CCN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc4c(NC)ncnc4c3)cc2)CC1 1465634346 TVQYVAWPHFAAND-UHFFFAOYSA-N 432.528 2.630 0 50 IFAA COc1ccccc1Cc1nc(-c2cc(C3CC3)n(C)n2)n([C@@H]2CCS(=O)(=O)C2)n1 1857672683 WWSXTGUHSJZRQY-MRXNPFEDSA-N 427.530 2.515 0 50 IFAA Cc1nc(CCNC(=O)c2cc3c(s2)C2(CCNCC2)OCC3)nc2c1CCCC2 1857692644 NQOKBYYPZZTKDI-UHFFFAOYSA-N 426.586 2.849 0 50 IFAA O=C(c1cnc2cccnn12)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857707671 YBJGKBLLNCQRNZ-HXUWFJFHSA-N 447.539 2.968 0 50 IFAA CC(=O)N1CCN(c2cccc(NC(=O)N[C@H](C)[C@H](O)c3ccc(F)c(F)c3)c2)CC1 1875265091 MHQPXSLYKCNVPB-SZNDQCEHSA-N 432.471 2.877 0 50 IFAA C[C@H]1c2ccccc2C[C@@H](C)N1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325901582 MGGBFSNPQDWMNY-LRAJWGHMSA-N 431.492 2.596 0 50 IFAA COc1ccccc1CNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 1099384 OETDOSIILFISGI-UHFFFAOYSA-N 427.320 2.540 0 50 IFAA COc1ccc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)c(OC)c1C 11880826 VCLQAWRPGWRFJO-LJQANCHMSA-N 427.549 2.941 0 50 IFAA COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)Cn3nc4ccccc4n3)C2)c1 12747961 FUEDZLJVWQIXAB-GOSISDBHSA-N 435.528 2.775 0 50 IFAA CN(Cc1ccccc1)C1(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)Cc2ccccc2C1 19770326 BVQUWTHEHWDWBU-FQEVSTJZSA-N 426.582 2.597 0 50 IFAA CN(Cc1ccn[nH]1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 19840362 GUZATZHQQVHSIS-JOCHJYFZSA-N 433.512 2.551 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 19908895 BSRPOOAJAUDNOT-JOCHJYFZSA-N 440.565 2.894 0 50 IFAA COc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)c1OC 55088667 BHGMHVDMQFOYRW-SFHVURJKSA-N 449.910 2.503 0 50 IFAA COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 225795308 SHWPKJQFDLRMQL-UHFFFAOYSA-N 448.541 2.967 0 50 IFAA C[C@]1(c2cccc(-c3noc([C@H]4CC(c5cc(F)ccc5F)=NO4)n3)c2)NC(=O)NC1=O 761936740 WKRBZMSORJPACW-IIBYNOLFSA-N 439.378 2.935 0 50 IFAA CN1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)c2ccc(-n3cccn3)c(F)c2)CC1 1318267185 RWRRGNKXRQBBOX-HSZRJFAPSA-N 447.514 2.747 0 50 IFAA Cn1ccc(=NC(=O)CN2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)[nH]1 1857699514 QWNIIYOVQUPGJL-QFIPXVFZSA-N 439.604 2.742 0 50 IFAA COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2OC)cc1-c1ccnn1C 2325743472 YHBNPWGSNBDKJC-UHFFFAOYSA-N 436.516 2.503 0 50 IFAA C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCOC2(CCS(=O)(=NC(=O)[C@H]3CCOC(C)(C)C3)CC2)C1 2332238220 HEIKMMFRPDSIPI-APEVHGDOSA-N 440.606 2.670 0 50 IFAA O=C(NC1CCCCC1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1230477 OJYZBLTWTDDDOO-UHFFFAOYSA-N 431.352 2.533 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)cc1C 2888502 BWRKJLIARHSSMX-UHFFFAOYSA-N 432.542 2.729 0 50 IFAA O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 11838295 DJJSPIIZYJGPGR-FQEVSTJZSA-N 425.573 2.866 0 50 IFAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)CN2CCCC2=O)CC1 11841699 NEPJKTCHGHUKRG-HSZRJFAPSA-N 427.589 2.837 0 50 IFAA Cc1ccn(CCC(=O)NCc2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)n1 14959124 NJDZGRYUFRUKAW-IBGZPJMESA-N 440.573 2.809 0 50 IFAA CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CN2CCN(CC)CC2)CC1 20905683 OPQXNGMWWFPRII-UHFFFAOYSA-N 435.996 2.692 0 50 IFAA O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(F)c(Cl)c1 22926521 HZFNKZKNKGXDCY-SFHVURJKSA-N 445.878 2.658 0 50 IFAA O=C(c1cccs1)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)NC(=S)N[C@@]1(O)C(F)(F)F 66112948 ZQKUXTFDTKXXLY-ZENOOKHLSA-N 430.429 2.746 0 50 IFAA CC[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)C1=O 170595564 BSWDYLNYWCIHLZ-UZUQRXQVSA-N 427.501 2.622 0 50 IFAA COc1ccc(-c2cc(=NC(=O)c3cc(C)oc3C)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158295 DYRDREQEDUHWGH-MRXNPFEDSA-N 429.498 2.802 0 50 IFAA Cc1cc([C@H](C)NC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)ccc1F 435135704 UDVXKNODTDEMJL-INIZCTEOSA-N 434.537 2.953 0 50 IFAA CN(C)c1ccc(Br)c(S(=O)(=O)N2CC(=O)Nc3c(F)cccc32)c1 479140690 LVXHKPJBYVAFSA-UHFFFAOYSA-N 428.283 2.802 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1CCc2nc[nH]c2C1 1875287845 CDNYSRXOAJCICC-HUUCEWRRSA-N 428.500 2.623 0 50 IFAA C[C@@H](C(=O)N(C)C)N(C)Cc1nc(O)c2cc(Br)cc(Br)c2n1 1875342196 CKHLDWKSMGKIDZ-QMMMGPOBSA-N 446.143 2.769 0 50 IFAA COc1ccc(CCNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 791116 AFVLZPMTQFRRNW-CQSZACIVSA-N 441.553 2.959 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccccc1F 8964956 JISMPRASKKKLGF-QIPHDZALSA-N 428.510 2.999 0 50 IFAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)CN2CCCC2=O)CC1 11841697 NEPJKTCHGHUKRG-QHCPKHFHSA-N 427.589 2.837 0 50 IFAA Cc1cc(S(=O)(=O)N2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c(C)s1 14964916 FCAFQXPCCTXPBV-OAHLLOKOSA-N 436.555 2.924 0 50 IFAA COc1ccc(-c2noc(CN3CCN(Cc4csc(C)n4)CC3)n2)c(OC)c1OC 20203906 GAWDHHWJYMPJAR-UHFFFAOYSA-N 445.545 2.845 0 50 IFAA COc1ccc(-n2nc(C)c([C@]3(O)C(=O)Nc4ccc(Br)cc43)c2N)cc1 170625890 JXRWCLAFVRMWOA-IBGZPJMESA-N 429.274 2.722 0 50 IFAA Cc1cc(F)cc(NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)c1 446879820 ULLCYLXZTJWQRQ-UHFFFAOYSA-N 425.457 2.927 0 50 IFAA O=C1Cc2cc(S(=O)(=O)Nc3ccccc3-c3n[nH]c(C4CC4)n3)cc3c2N1CCC3 462357513 IGHWDKURHAMGDO-UHFFFAOYSA-N 435.509 2.985 0 50 IFAA CN1C(=O)CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)c2ccccc21 748684280 ACIUIQKHIXAXLX-VWLOTQADSA-N 442.475 2.616 0 50 IFAA CCCO[C@@H]1CC[C@H](C(=O)NCc2cc[nH]n2)C[C@H]1Nc1nccc(C(F)(F)F)n1 1857685580 YLGIBSWFWFMIHO-NWANDNLSSA-N 426.443 2.911 0 50 IFAA O=C1CCc2cc([C@@H](O)CCC(=O)N3CC[C@](O)(Cc4cccc(F)c4)C3)ccc2N1 1875262117 HAGLUCALBQSLAH-URXFXBBRSA-N 426.488 2.730 0 50 IFAA CN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(Cl)c(F)c2)C1 1875320168 JPPGCQISLCGOIS-QGZVFWFLSA-N 447.894 2.965 0 50 IFAA Cc1cccn2cc(CNC3CCN(c4ccc(C(=O)N5CCC[C@@H](O)C5)cc4)CC3)nc12 11784495 MHXQHRIURFMTAM-XMMPIXPASA-N 447.583 2.998 0 50 IFAA COC(=O)c1ccc(N2CCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)CC2)cc1 12435645 PHCQKXJXBRTOJV-UHFFFAOYSA-N 439.903 2.729 0 50 IFAA O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)C1 222215255 AFJRDKZSKWDLSA-JSNMRZPZSA-N 428.485 2.951 0 50 IFAA O=C(COc1ccccc1OCC(F)(F)F)N[C@H](c1ccc(F)c(F)c1)c1nnn[nH]1 225604532 QPSFOEJKXUTKEO-MRXNPFEDSA-N 443.332 2.704 0 50 IFAA COc1cc(C(C)=O)ccc1OC[C@H](O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 245284290 RJEFWYDMCBHJSE-KFOHMRLHSA-N 432.517 2.774 0 50 IFAA CSCC[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C 334162459 UNZXMGSROQWADQ-GOSISDBHSA-N 436.541 2.679 0 50 IFAA C[C@@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1(c2ccccc2)CCCC1 476791680 KFZMUXCGGBRIJK-VGSWGCGISA-N 427.545 2.619 0 50 IFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 1132843 CAJRPXPBZAJYED-UHFFFAOYSA-N 435.977 2.926 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@@H]1c1ccccc1 1206067 INNCSYOWXGJIFZ-JAORQVBISA-N 429.501 2.890 0 50 IFAA CCc1nccn1CCC(=O)N1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 11817714 BCQWTNUIEHDIRT-FQEVSTJZSA-N 425.577 2.951 0 50 IFAA Cc1ccc(C(=O)N2CCC([C@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)cn1 12036726 ICMGGSBZIJZPPU-VWLOTQADSA-N 432.524 2.720 0 50 IFAA CN1CCN(C(=O)C[C@@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)CC1 14887692 AVQPYUQMBKOZLA-SANMLTNESA-N 431.536 2.677 0 50 IFAA COc1ncccc1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(Cc2ccccc2)CC1 19939766 JOKUPHDENREBJP-JOCHJYFZSA-N 448.567 2.677 0 50 IFAA CCOc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1 20777221 GQHMQOKSUZWVTB-UHFFFAOYSA-N 437.519 2.847 0 50 IFAA CC(C)N1C[C@@H](NCc2ccc(F)cc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 32513772 QODSCNRCCFGWAX-FPOVZHCZSA-N 445.510 2.993 0 50 IFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CSc3ccccn3)C2)CC1 55383963 WCMXYCXXGZHUSR-IBGZPJMESA-N 426.586 2.996 0 50 IFAA CSc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C(=O)N1CCC(C)CC1 67630085 HHDZBTNXEMKZIJ-UHFFFAOYSA-N 425.620 2.653 0 50 IFAA O=C1CC[C@@](CCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)(Cc2ccc(F)cc2)N1 101940850 GTBRQXUYSIMOLZ-XHNVNVPESA-N 437.515 2.605 0 50 IFAA CCS(=O)(=O)NCc1ccc(C(=O)Nc2cc3ccc(Br)cn3n2)cc1 170614354 XLJUEWMTIVPRCM-UHFFFAOYSA-N 437.319 2.788 0 50 IFAA COc1ccc(-c2cc(=NC(=O)c3cccc(Cl)n3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158637 YLMWMECVOLGNLH-CQSZACIVSA-N 446.916 2.641 0 50 IFAA O=C(c1cn(CCO)nc1C1CCOCC1)N1CCOC[C@@H]1c1nc2ccccc2s1 856683234 PVHBTRNNQPCZLI-GOSISDBHSA-N 442.541 2.593 0 50 IFAA O=C1C[C@@H](c2ccccc2)NCCCN(C(=O)Cc2ccc3c(c2)OCO3)CCCCN1 2356135252 WEGNEQHJWLALDF-NRFANRHFSA-N 437.540 2.808 0 50 IFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)nc(C)n1 657552 KPTBJRYLOJAGAN-UHFFFAOYSA-N 426.454 2.875 0 50 IFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC)c(OC)c2)cc1Cl 1076092 BXXRTQLTFHMYDJ-UHFFFAOYSA-N 428.894 2.625 0 50 IFAA COc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCCn2ccnc2)cc1OC 1808202 QIQCCDDCTIXATK-NBVRZTHBSA-N 440.525 2.939 0 50 IFAA COc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccccc2)cc2ccccc12 2522628 YXDSWEZHWDTWLL-FQEVSTJZSA-N 433.512 2.849 0 50 IFAA CCC(=O)[C@H]1CCCN(C(=O)CC[C@]2(Cc3ccc(OC)c(OC)c3)CCC(=O)N2)C1 14879578 QBVFVJBCVSLFFZ-UUOWRZLLSA-N 430.545 2.893 0 50 IFAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)c2=O)CCCCC3)no1 169764010 PDPFXSXUEBZDAQ-UHFFFAOYSA-N 447.854 2.526 0 50 IFAA COc1ccc(-c2cc(=NC(=O)/C=C/c3ccccc3)n([C@@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158300 FNWOGMJJWLTVCJ-MCBBDGKISA-N 437.521 2.992 0 50 IFAA Cc1oc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NCCCc1csc(N)n1 670449439 MMXICMFLJKNYJP-UHFFFAOYSA-N 435.453 2.947 0 50 IFAA CN(C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 785436460 RRSOPPMPBLLKTE-SFHVURJKSA-N 445.541 2.558 0 50 IFAA Cc1cc(N2CCN(C(=O)c3cc(CC(C)C)nc(O)n3)CC2)nc(-c2ccccc2O)n1 1506419182 ZVUBGGCEMFNSRA-UHFFFAOYSA-N 448.527 2.814 0 50 IFAA CN(Cc1ccccc1)C(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 12751352 IQYJERPYOCARFP-UHFFFAOYSA-N 431.558 2.608 0 50 IFAA O=C(Nc1cccc2ccccc12)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1 14742812 YQKSUWOZNJIWEP-NYVOZVTQSA-N 428.492 2.672 0 50 IFAA O=C(COc1ccc2occ(C(=O)c3ccc(Cl)cc3)c2c1)N[C@H]1CCS(=O)(=O)C1 170622187 BSEWTXJBBBCJIB-HNNXBMFYSA-N 447.896 2.999 0 50 IFAA C[Sn](C)(C)OC(=O)CCCCCN1C(=O)C(Cl)=C(Cl)C1=O 196006581 CKMVFVPBUDEDEP-UHFFFAOYSA-M 442.915 2.983 0 50 IFAA COC(=O)C[C@@H](c1oc(CN2CCOCC2)cc(=O)c1O)c1c(F)cccc1Cl 218421880 SNJJCLHVNAUSJF-CYBMUJFWSA-N 425.840 2.665 0 50 IFAA C[C@@H](NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 253370891 XOUMAVHDOVUKIT-OBUYZQBDSA-N 442.537 2.877 0 50 IFAA COc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3c[nH]c4ccc(F)cc34)C2=O)cc1 409415151 VIPVNTJBSUPEMB-HXUWFJFHSA-N 438.459 2.880 0 50 IFAA Cc1cnn2c(-c3ccccc3)cc(N3CCN(c4nccn5cnnc45)[C@@H](C)C3)nc12 2325870972 XFSGSMMSLFZPTO-KRWDZBQOSA-N 425.500 2.858 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cccc3cnccc23)cc1C 11999018 ZKLIPLBPLVTJAT-QHCPKHFHSA-N 446.551 2.901 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccccc1 13739514 KCOZDSHLHLSRLO-CKNGIZQFSA-N 434.517 2.807 0 50 IFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCN(Cc3cccs3)CC2)c1=O 20449671 PKDKIWCZFYQGEF-UHFFFAOYSA-N 442.585 2.733 0 50 IFAA C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101146045 XSNLHIWRTQZZSU-OELWXQPESA-N 434.286 2.595 0 50 IFAA CC(C)[C@H]1CN(C(=O)c2cccc(NS(C)(=O)=O)c2)CCN1C(=O)OC(C)(C)C 170602421 PWFQURLVEMIKOQ-QGZVFWFLSA-N 425.551 2.776 0 50 IFAA C[C@H](CCS(=O)(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 253534393 IFQRFKVUXUJKEV-WYMXOOFKSA-N 444.634 2.862 0 50 IFAA COc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCc4nnc(O)cc4C3)C2)c2ccccc12 479471941 BGDADYIMSDYORC-INIZCTEOSA-N 446.507 2.781 0 50 IFAA Cc1noc2nc(C(C)C)cc(C(=O)N3CCCN(S(=O)(=O)N4CCCCC4)CC3)c12 888090664 NGBLHOPSUYNNJQ-UHFFFAOYSA-N 449.577 2.533 0 50 IFAA Fc1ccc(-c2noc([C@@]3(C(F)(F)F)CCN(Cc4nnc5n4CCOC5)C3)n2)cc1 952892147 FGAKUBGIHISQSW-GOSISDBHSA-N 438.385 2.703 0 50 IFAA C[C@]1(C2CCN(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)CC2)NC(=O)NC1=O 1479055970 MNJKYGIICNZEJR-QGZVFWFLSA-N 432.830 2.879 0 50 IFAA Cc1cccc([C@H](CO)N2CCN(C(=O)c3ccc(=O)n(-c4cccc(F)c4)c3)CC2)c1 1875253757 BKMMHXURIWJQMD-QHCPKHFHSA-N 435.499 2.776 0 50 IFAA O=C(NCc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc2nc(C3CC3)[nH]c2c1 1875328581 ZQGQJJURRVOXLI-UHFFFAOYSA-N 438.553 2.601 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1cccs1 624627 INOKDTWEHYROKC-MUMAZLPKSA-N 428.510 2.999 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1cccs1 687957 SUIMLJWQUUJXNR-VHUCWBOISA-N 443.550 2.519 0 50 IFAA CCn1nc(C)c(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc3ccccc23)c1C 12745995 XOKIBURGXYEAFA-QHCPKHFHSA-N 433.556 2.680 0 50 IFAA Cc1cc(C(=O)NCc2nnc3n2CCN(Cc2c(F)ccc(F)c2F)CC3)c(C)o1 20784672 JDTCZFZFEDVYQY-UHFFFAOYSA-N 433.434 2.894 0 50 IFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc(-c4ccncc4)cs3)C2=O)cc1 206241723 GVSCGSQGMMFHHY-MRXNPFEDSA-N 437.481 2.663 0 50 IFAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C(=O)N1c1ccc(F)cc1 226930584 ZPUIQBHQSAJUFT-KCXPTXFHSA-N 425.847 2.910 0 50 IFAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2)cc1 251264399 HXRQYVSXVJSWCD-JSSYZSAGSA-N 447.645 2.926 0 50 IFAA CCN(CC)CCN(C)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(CCC(C)C)C1=O 299761067 QWOSRYUOJFYRCM-RUZDIDTESA-N 445.604 2.928 0 50 IFAA CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 440923268 IUQVQYFGYBIFKF-LJQANCHMSA-N 448.585 2.650 0 50 IFAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)Cc1cc(-c2ccccn2)no1 952972665 WLGNRBDLDHHKCB-UHFFFAOYSA-N 425.470 2.752 0 50 IFAA Cc1cc(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)n(C)n1 1857702948 JOWSDFDXRNYUQK-OAQYLSRUSA-N 446.617 2.989 0 50 IFAA CCOC1CC(C(=O)N2CCC([S@@](C)(=O)=NC(=O)c3cccc(SC)n3)CC2)C1 2325886430 XHRXRXIRAIGCLW-AMJLPUHQSA-N 439.603 2.848 0 50 IFAA Cc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 1200893 BMGKBBBTDIEZKT-UHFFFAOYSA-N 447.329 2.886 0 50 IFAA O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCCO 2984395 JVJXOFBGKHSLQU-UHFFFAOYSA-N 431.341 2.683 0 50 IFAA COC(=O)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1 8915375 WJJKXBNBEFDEDD-DOXZYTNZSA-N 440.349 2.716 0 50 IFAA COc1ccc(CCNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 10510694 HBNAQCXNEFKLQR-UHFFFAOYSA-N 448.449 2.727 0 50 IFAA CC[C@]1(C2CCN(C(=O)CCSC)CC2)NC(=O)N(CCc2scnc2C)C1=O 11966315 PNZIHOAPWXHZJM-HXUWFJFHSA-N 438.619 2.686 0 50 IFAA CN(Cc1cnn(C)c1)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O 12201656 QXDBUUVYNQEYOP-RUZDIDTESA-N 430.508 2.762 0 50 IFAA COCc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)o1 19742759 NFVAJLAGMCLZKN-OAQYLSRUSA-N 438.532 2.598 0 50 IFAA O=C(NC1CC1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 169758634 MCFWFATXFNPZMS-IBGZPJMESA-N 428.920 2.939 0 50 IFAA CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NCc1cnn(Cc2ccc(F)cc2)c1 328593659 UMMMWLOSNDEGNI-UHFFFAOYSA-N 431.537 2.999 0 50 IFAA COc1cccc([C@@H]2[C@@H](C(=O)NCCN3CCc4ccccc4C3=O)CC(=O)N2C2CC2)c1 466642418 TXMYVMZFYLKUCL-LADGPHEKSA-N 447.535 2.562 0 50 IFAA CN(Cc1ccc2nsnc2c1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1506412427 DIGDELJIIVNCNS-GOSISDBHSA-N 434.518 2.642 0 50 IFAA COc1ccc(Oc2ccc(C(=O)N[C@]3(C)CCOC4(CCNCC4)[C@H]3O)cc2)cc1 1704326500 YEDDHZARPISHPN-XZOQPEGZSA-N 426.513 2.879 0 50 IFAA COC(=O)c1ccc(CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1 1875257132 SYPDLUQZVHXPOV-QFIPXVFZSA-N 437.540 2.939 0 50 IFAA Cn1cc(C(=O)N=S2(=O)CCC3(CC2)C[C@@H](NC(=O)C[C@H]2C=CCCC2)CCO3)cn1 2332238356 OGFJRPRMBNIGBO-DSPFZWGASA-N 448.589 2.603 0 50 IFAA COC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)cc1 3130770 YIZPDFJTQRVDLE-NSHDSACASA-N 427.741 2.727 0 50 IFAA COc1ccc(F)c(C[C@]2(CCC(=O)N(CCO)Cc3ccccc3)CCC(=O)N2)c1 11839641 BMRWHKRVTUBVMK-XMMPIXPASA-N 428.504 2.827 0 50 IFAA COc1ccccc1CCC(=O)N1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1 11870211 GZOBIDYNAPFFOU-LJQANCHMSA-N 427.549 2.829 0 50 IFAA O=C(NCCN1CCOCC1)c1ccc(N2CCC(NCc3ccsc3)CC2)cc1 14885817 JELJAYKGQPFGPI-UHFFFAOYSA-N 428.602 2.569 0 50 IFAA COC(=O)[C@@H](NC1CCN(c2ccc(C(=O)N3CCOCC3)cc2)CC1)c1ccccc1 299785898 OKFZUDIBRJYVTR-QHCPKHFHSA-N 437.540 2.632 0 50 IFAA Cc1cc(Br)c2c(c1)CN(C(=O)c1coc(S(=O)(=O)N(C)C)c1)CC2 490049238 XJYDBZXDLKACDI-UHFFFAOYSA-N 427.320 2.799 0 50 IFAA CO[C@H]1CN(C(=O)CCSc2nnc(-c3ccncc3)o2)C[C@H]1Cc1cc(C)no1 1704352105 SSONTMSGXHFPLN-WBVHZDCISA-N 429.502 2.626 0 50 IFAA C[C@@H]1Oc2ccc(C(=O)CSCC(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)cc2NC1=O 1857798998 IWWVDIXGTGIEDQ-RYUDHWBXSA-N 440.477 2.924 0 50 IFAA CC(C)C[C@H]1C[C@@H](C(=O)OCCN2c3cccc4cccc(c34)S2(=O)=O)CC(=O)N1 1875259711 YHJCJAXTSNSTMQ-SJORKVTESA-N 430.526 2.833 0 50 IFAA O=C(NC[C@@H]1C[C@H]2OCC[C@H]2O1)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 1875352494 JJAYBVDTIVJWIJ-PWRODBHTSA-N 434.500 2.651 0 50 IFAA Cc1cc(O)cc(C(=O)N2CC3(CCC3)C[C@@H]2CNC(=O)c2cc3nn[nH]c3cc2F)c1 1875360247 CJHVWMOHRKXNTG-OAHLLOKOSA-N 437.475 2.926 0 50 IFAA C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c1 2325889003 MMSWGUSVUPRZGM-OAQYLSRUSA-N 434.540 2.944 0 50 IFAA COCCN1CCC[C@]2(CCCN2S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)C1=O 2356136803 KOAWVYKAECKSSF-QFIPXVFZSA-N 447.557 2.751 0 50 IFAA NS(=O)(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 754376 UGRNAMCLIKFIJF-UJKMTWAASA-N 430.485 2.731 0 50 IFAA CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)cc2C[C@H]1C 9396979 MWQCKZUFRYJCPX-IAGOWNOFSA-N 447.601 2.643 0 50 IFAA Cc1c(CNC(=O)c2cn(C(C)C)cc(C(=O)NCC3CCCCC3)c2=O)cnn1C 12245963 VEZFUVPHMIVVQX-UHFFFAOYSA-N 427.549 2.711 0 50 IFAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccc(Cn2cnnn2)cc1 12439631 ZNHWEYPVNUKNFX-FQEVSTJZSA-N 436.535 2.887 0 50 IFAA O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(C(=O)COc2ccccc2Cl)C1 12590691 MECSGDYOTIZILW-HNNXBMFYSA-N 440.891 2.572 0 50 IFAA O=C(NCCc1ccccc1)[C@@H]1C[C@H](CN2CCOCC2)CN(CCc2ccccc2)C1 14537425 QDLQBKZESMNKCO-CLJLJLNGSA-N 435.612 2.858 0 50 IFAA COC(=O)c1cc(CNC(=O)c2ccc(Cl)cc2)cc(NC(=O)Cn2cccn2)c1 14879104 ABBMMEDWPSBLNX-UHFFFAOYSA-N 426.860 2.892 0 50 IFAA CC(=O)N1CCN([C@@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)CC1 19835466 SFUFUDMEWVZCGF-LJQANCHMSA-N 436.581 2.722 0 50 IFAA O=C(NCCN1CCOCC1)c1ccc(N2CCC(NCCc3cccs3)CC2)cc1 23340447 GDPUNTVXAXEYBQ-UHFFFAOYSA-N 442.629 2.611 0 50 IFAA COc1cccc(-c2ccc(=O)n(CC(=O)NC3CCN(Cc4ccccc4)CC3)n2)c1 40287025 BIURMVWYGBCROT-UHFFFAOYSA-N 432.524 2.700 0 50 IFAA CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)cc(OC)c1)C(=O)OC 252463669 QATGDIKBGJSNQD-CYFNAFFESA-N 430.505 2.672 0 50 IFAA O=C(N[C@@H]1CCCC12CN(c1nc(-c3cccnc3)nc3c1CCC3)C2)[C@@H]1CC=CCO1 1875359932 UFDHFKHOFUZIAE-LEWJYISDSA-N 431.540 2.848 0 50 IFAA COC(=O)c1ccc2nc(NC(=O)COC(=O)CSc3nc(C)cc(C)n3)sc2c1 2969908 NOQOTXRVLIXJDX-UHFFFAOYSA-N 446.510 2.764 0 50 IFAA c1ccc2c(c1)OCCOCCOCCOCCOc1ccccc1OCCOCCO2 4262172 XKPCSOGHEJMJHP-UHFFFAOYSA-N 448.512 2.982 0 50 IFAA CCN(Cc1ccncc1)Cc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1 11821102 SLQMGYLJHFGNRB-NRFANRHFSA-N 431.602 2.901 0 50 IFAA CN(CCc1cn[nH]c1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 11873085 FVSLTJWPLHNWBI-QHCPKHFHSA-N 447.539 2.594 0 50 IFAA O=C1CC[C@H](C(=O)N2CCN(c3ncnc4ccccc34)CC2)CN1Cc1ccccc1F 12056613 NICGOKPXYPNOMB-IBGZPJMESA-N 447.514 2.856 0 50 IFAA CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 12382911 WEMBHQRAKVGPRM-PLDFPGSMSA-N 426.538 2.884 0 50 IFAA O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(Cl)cc1 19335218 NPPXRFMWYOCJIN-SFHVURJKSA-N 427.888 2.518 0 50 IFAA CC1=C(C)C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@H](C(=O)O)C1 19632771 INCUSDBSWJWDFB-QZTJIDSGSA-N 440.949 2.620 0 50 IFAA O=C(NCCc1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2)c1cccnc1 20272426 BFSLRHFEAZJZPK-UHFFFAOYSA-N 442.523 2.964 0 50 IFAA COc1cc(OC)cc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)c1 77134273 MRAXOUDNQMQHPT-UHFFFAOYSA-N 436.516 2.567 0 50 IFAA COc1ccc(Cn2c(C3CCN(C(=O)Cc4cccc(OC)c4)CC3)n[nH]c2=O)cc1 169770620 RSNMVYFPHMCZME-UHFFFAOYSA-N 436.512 2.586 0 50 IFAA CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 253414633 YAHFNFQPAGKEMR-MOPGFXCFSA-N 437.496 2.971 0 50 IFAA C[C@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)N2CCN(C3CCCC3)C(=O)C2)on1 299761376 VVESMKKVFSJXQJ-OAHLLOKOSA-N 425.485 2.977 0 50 IFAA CS(=O)(=O)N1CCC(c2nnc3sc(Cc4cccc(C(F)(F)F)c4)nn23)CC1 951726933 QUYYIRNFKDHUQX-UHFFFAOYSA-N 445.492 2.934 0 50 IFAA COc1ccc(C(=O)[C@H](NCCCN2CCCCCC2=O)c2oc(C)cc(=O)c2O)cc1 1848442975 QNADPKXENDGETL-NRFANRHFSA-N 442.512 2.969 0 50 IFAA CC(C)(CCN1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CCN(c2ccccn2)C1 2325701132 HQQMBPDPFVFZLJ-OAQYLSRUSA-N 436.604 2.950 0 50 IFAA C[C@H]1CN(C(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)Cc2ccccc21 2325898109 SJAATLJGYKUXBT-XOBRGWDASA-N 432.480 2.599 0 50 IFAA COCCC1(C(=O)N=[S@@]2(=O)CCCN(C(=O)COC3CCC(C)CC3)CC2)CC1 2332238495 AXIFXZPVGZRRAO-YWCBUYMOSA-N 428.595 2.625 0 50 IFAA CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCNC(C)C 601814 LNHWXBUNXOXMRL-RUZDIDTESA-N 433.508 2.620 0 50 IFAA biogenic Cc1ccc(C(=O)Oc2ccccc2Br)cc1S(=O)(=O)N1CCOCC1 862389 LKVVDEMKJBMVCT-UHFFFAOYSA-N 440.315 2.998 0 50 IFAA COC(=O)c1ccc(C)c(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 980269 QNSPIJCOXXMPCY-UHFFFAOYSA-N 440.905 2.848 0 50 IFAA CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@]12C(=O)N1c3c(cccc32)C(C)=CC1(C)C 2404580 MLFRVJMBCLJAQS-VWLOTQADSA-N 448.475 2.902 0 50 IFAA CC(C)[C@H](NC(=O)[C@@H](CSCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 5062878 ZAPMIDFJTRZCNZ-UXHICEINSA-N 443.569 2.841 0 50 IFAA O=c1c2c3c(sc2ncn1CCN1CCOCC1)C[C@@H](NC1CCCCCC1)CC3 12159328 QFZXSLKYRVYRAG-SFHVURJKSA-N 430.618 2.960 0 50 IFAA O=C(CC[C@@H]1CCCN(C(=O)COc2ccccc2)C1)N1CCN(c2ccccn2)CC1 12578148 VTIRNIYICUEDBU-NRFANRHFSA-N 436.556 2.828 0 50 IFAA O=C(NCc1ccccn1)C1CCN(C2CCN(Cc3cccc4c3OCO4)CC2)CC1 15069891 RVULNNMSWUSGIS-UHFFFAOYSA-N 436.556 2.803 0 50 IFAA CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3c(F)cccc3F)n2CC1 23128724 DWNKCASWLOZHEP-UHFFFAOYSA-N 441.482 2.943 0 50 IFAA CCOC(=O)c1ncsc1NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 170617602 CCQUFCWNRJIZDX-UHFFFAOYSA-N 437.543 2.676 0 50 IFAA CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253499813 OTLJDTMBQKLRPK-CYWVPSCZSA-N 448.556 2.715 0 50 IFAA biogenic COCC(=O)NCc1nc(-c2ccccc2NS(=O)(=O)Cc2ccccc2)oc1C 299766832 GBFYFLXJWSQARL-UHFFFAOYSA-N 429.498 2.855 0 50 IFAA CCOc1cccc(CN2CCc3c(C(=O)N4CCCC4)c(OC)cc(=O)n3CC2)c1 299769680 PHRPXBDTFPMVPX-UHFFFAOYSA-N 425.529 2.550 0 50 IFAA O=C1CC[C@](CCC(=O)N2CCN(C(=O)c3cccs3)CC2)(Cc2ccccc2)N1 299783456 YNSAQEFJASHFHO-QHCPKHFHSA-N 425.554 2.704 0 50 IFAA CCOC(=O)[C@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@H]1c1cc(OC)c(OC)c(OC)c1 1848444169 RUXFQLATLCPIFX-NQIIRXRSSA-N 431.441 2.681 0 50 IFAA COc1ccc(C(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)cc1Oc1ccc(CN)cc1F 1857690253 YJKFSFCHXZWYCT-PBHICJAKSA-N 427.476 2.921 0 50 IFAA COc1ccc2cc(C(=O)NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cnc2c1 1875343706 RRSCRIUAZHFPOE-UHFFFAOYSA-N 425.466 2.637 0 50 IFAA O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCN(c2ncccn2)CC1 11763515 OOGBBEYSTWKWNE-UHFFFAOYSA-N 425.496 2.668 0 50 IFAA COc1cccc(NC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)c1 169758009 MJSPBZSSUGDCGY-LJQANCHMSA-N 427.844 2.865 0 50 IFAA Cc1cc(CN(C)C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)n[nH]1 299761302 UZZLQFXOSXNZMW-RUZDIDTESA-N 445.523 2.667 0 50 IFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 952971992 NERHMNHQMCAQAA-QFIPXVFZSA-N 434.540 2.759 0 50 IFAA COCc1cccc(C(=O)NCC[C@H]2CCCN(C(=O)[C@H]3CCCc4ncnn43)CC2)c1 1875341057 DNKCTEUXBOYLTO-WIYYLYMNSA-N 439.560 2.751 0 50 IFAA Cn1cc(C(=O)N=S2(=O)CCC3(CC2)C[C@H](NC(=O)C[C@H]2C=CCCC2)CCO3)cn1 2332238355 OGFJRPRMBNIGBO-CFQIZUGYSA-N 448.589 2.603 0 50 IFAA CC(=O)N[C@H](NC(=S)Nc1sc2c(c1C(N)=O)CCCC2)C(Cl)(Cl)Cl 4177621 WUKZAOKSQYTOLH-GFCCVEGCSA-N 443.809 2.845 0 50 IFAA COc1ccccc1CCNc1ncnc2sc(C(=O)NC[C@H]3COCCO3)c(C)c12 12098822 MJFZNOYWBFBPAI-INIZCTEOSA-N 442.541 2.808 0 50 IFAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccccc1)CC2 14743963 QTYUBUHMYUWNMM-UHFFFAOYSA-N 436.556 2.960 0 50 IFAA COc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)cc1Cl 67604517 GTZYBPCTQOPPMT-UHFFFAOYSA-N 446.939 2.638 0 50 IFAA COc1ccc(F)c2[nH]c(C(=O)N3CCN([C@@H](C(N)=O)c4ccc(Cl)cc4)CC3)cc12 474424579 GXHYJIQIEVFAOX-HXUWFJFHSA-N 444.894 2.953 0 50 IFAA NS(=O)(=O)Cc1ccccc1CN=c1[nH]c(C(F)(F)F)c(Br)s1 1857531071 PVTLVLUNPQVJSY-UHFFFAOYSA-N 430.271 2.747 0 50 IFAA CC(C)c1ccccc1-c1cn(-c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)nn1 1875355331 HFDMJKRJXGEISO-OAQYLSRUSA-N 429.480 2.819 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccccc1OC 6489449 PEBHRDUDLKKOOT-CURYZJDOSA-N 434.517 2.807 0 50 IFAA COc1cc(CNCCOc2nonc2C)ccc1OC[C@H](O)CN1CCCCCCC1 11817555 UPWYEBNBBDSWGU-HXUWFJFHSA-N 448.564 2.561 0 50 IFAA O=C1NC(=O)[C@@](Cc2ccccc2F)(C2CCN(Cc3ccc4nsnc4c3)CC2)N1 12034398 DPEHACFCYLARGO-JOCHJYFZSA-N 439.516 2.863 0 50 IFAA COCCN(C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1)C(C)C 12209047 HONRGCPJWMLZJW-UHFFFAOYSA-N 432.970 2.640 0 50 IFAA Cc1cc(C)n(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)n1 12438138 GCVXYFUINMDPHF-XMMPIXPASA-N 445.567 2.674 0 50 IFAA COc1cc2nc(CN3CCN([C@@H]4CCc5ccccc5C4)CC3)nc(N)c2cc1OC 20599055 YHSLNEGTNFUFOT-LJQANCHMSA-N 433.556 2.904 0 50 IFAA CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 101502167 DUSRDYBPHTWTMM-HZPDHXFCSA-N 428.876 2.690 0 50 IFAA COc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC5CC5)CC4)c3CO2)cc1 169758890 NAMKTCBRKKUAQI-OAQYLSRUSA-N 438.528 2.542 0 50 IFAA COc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 170598372 YTYHGMANRURMIF-IAGOWNOFSA-N 437.606 2.528 0 50 IFAA O=C(O)CC[C@@]12CCC(=O)N1c1cc(F)c(F)cc1-c1nc(=O)c(-c3ccccc3)nn12 408525817 PAEDNQSSEHBJIG-QFIPXVFZSA-N 438.390 2.909 0 50 IFAA O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1C[C@H](c2ccccc2)c2ccccc21 436272804 SQQSOWDUQXYNQA-HXUWFJFHSA-N 425.496 2.914 0 50 IFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 446389882 ZQHVHAZUFQKSTQ-IERDGZPVSA-N 426.467 2.888 0 50 IFAA Cc1ccc(OCC(=O)N2CCN(c3ccc4nnc(-c5ccsc5)n4n3)CC2)cc1 480044949 YHKCEKDZOLUBDO-UHFFFAOYSA-N 434.525 2.889 0 50 IFAA CN(C(=O)CNC(=O)Cc1cccc2ccccc12)[C@H]1CCN(Cc2ccccc2)C1=O 789885805 UQVWFQZMSYGNDY-QHCPKHFHSA-N 429.520 2.758 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C/c3sccc3C)c(=O)n2[C@H]1c1ccc(OC)cc1 633372 WAGXRFCFXGDXIQ-OXRZLYTFSA-N 440.546 2.787 0 50 IFAA COc1cccc(CN2C[C@@H](C(=O)NCCc3nc(-c4ccccc4)no3)CCC2=O)c1 12056266 YOIBIXRWFSCPRB-IBGZPJMESA-N 434.496 2.843 0 50 IFAA COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccccc2F)cc1 12427973 BNBVEZIYPAEGRX-JOCHJYFZSA-N 435.455 2.973 0 50 IFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCc2cscn2)c1 12597061 NXLJHWLNWJVLMQ-UHFFFAOYSA-N 429.542 2.904 0 50 IFAA COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 15746072 IFUBMOYZFKIIIE-SSUIOBEFSA-N 434.448 2.871 0 50 IFAA COc1ccccc1-n1cc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)cn1 104630641 BNZBUOGBGBFWCP-HSZRJFAPSA-N 441.620 2.622 0 50 IFAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)CC1 238950858 ZZICPWHSWMHUCI-HZCBDIJESA-N 445.567 2.942 0 50 IFAA COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 253417917 UCVYPYWNSZHNNI-HNNXBMFYSA-N 435.521 2.936 0 50 IFAA O=C(NCCc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253425248 BXPYSODVYVSYGT-QGZVFWFLSA-N 443.352 2.742 0 50 IFAA Cc1cc(C[C@@H](C)NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)n(-c2ccccc2)n1 448447942 LRZIVYFPAHGIOT-MYYSRTQBSA-N 431.496 2.596 0 50 IFAA Cn1c(N2CCOCC2)nc2cc(C(=O)N3CCC[C@H](OCc4ccccn4)C3)ccc21 952967429 JQRADCHPWVPYRM-FQEVSTJZSA-N 435.528 2.626 0 50 IFAA CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(I)cc1 705219 UNYRCQYKEAODQZ-OLZOCXBDSA-N 432.258 2.600 0 50 IFAA O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 9085922 QJWNFAUNTNXNEY-LJQANCHMSA-N 436.961 2.869 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)cc2)c1 9553995 FLIPXFOXQBFMIY-UHFFFAOYSA-N 428.532 2.535 0 50 IFAA O=C(NC[C@@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1)c1ccc2c(c1)OCO2 12701347 DLDBIPUTIOBDNE-SFHVURJKSA-N 436.512 2.587 0 50 IFAA N=c1n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccc(Br)cc1 15773718 YHQAMDJWKKUYNE-UHFFFAOYSA-N 443.345 2.900 0 50 IFAA Cc1c(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1C 17100721 MSSTVJMXXLIHGK-UHFFFAOYSA-N 436.599 2.924 0 50 IFAA O=C(NCCOC(=O)c1nc(Br)cs1)c1cncc(Br)c1 170617287 WIKMRVNMCDDNFA-UHFFFAOYSA-N 435.097 2.650 0 50 IFAA CNS(=O)(=O)CCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1Cl 242339259 ZGHDRHMYPWPQDD-QGZVFWFLSA-N 431.986 2.873 0 50 IFAA O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc(F)cc1 245329485 ZNMFUECAVDMKNF-BOCITWAFSA-N 441.462 2.993 0 50 IFAA CCOC(=O)CS(=O)(=O)c1nc(-c2ncc(C(F)(F)F)cc2Cl)nc(C)c1F 261494970 YRKOGPHECVZKJD-UHFFFAOYSA-N 441.790 2.995 0 50 IFAA COc1cc(CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)ccc1Cl 819160117 OEUKJKRLMWSZEH-MJGOQNOKSA-N 432.904 2.779 0 50 IFAA Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3Cc4[nH]c(=N)nc(O)c4C3)[C@@H]2c2cccs2)cc1 2325825756 AEIDGSOYMQCGHJ-FOIQADDNSA-N 449.536 2.991 0 50 IFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)nc(OC)n1 671498 AXQPBQKDMUJJSV-UHFFFAOYSA-N 428.470 2.855 0 50 IFAA CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)ccc1O 909092 KIMHTUFULCKHRS-GRDNDAEWSA-N 430.404 2.956 0 50 IFAA CC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 1163200 ALLLYYZCYLBYBJ-UHFFFAOYSA-N 425.304 2.911 0 50 IFAA Cc1ccc([C@](O)(Cc2nc(CNS(=O)(=O)c3ccc(F)cc3)no2)C(F)(F)F)o1 170601608 VRVBGCBSDQVHOO-MRXNPFEDSA-N 449.382 2.581 0 50 IFAA COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1 252444122 XSKPBNDTIWOPCR-TWWFPWMWSA-N 429.517 2.868 0 50 IFAA COc1cc(Oc2cc(C(=O)N3CCC[C@@](C)(C(N)=O)C3)ccc2OC)ccc1CN 1857692622 MWCUCDKIAFOAKE-HSZRJFAPSA-N 427.501 2.682 0 50 IFAA C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1)C(=O)Nc1cccc(N2CCCC2)c1 1875254617 WKTOKSBMIFQMCU-AMHTUMDSSA-N 434.540 2.950 0 50 IFAA C[C@@H](NC(=O)CONC(=N)c1cn(Cc2ccccc2)nn1)C12CC3CC(CC(C3)C1)C2 1875258925 RGTFDTLPEXQJPV-SGGRRFJASA-N 436.560 2.894 0 50 IFAA Cc1ncccc1C(=O)NC1(c2cn([C@@H](Cc3ccc(Cl)cc3)C(=O)O)nn2)CC1 1875355211 CXMDULZRBCVVHX-KRWDZBQOSA-N 425.876 2.922 0 50 IFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)n1 913134 SVHCDKKVFKPIFA-IBGZPJMESA-N 440.481 2.673 0 50 IFAA O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1 3964126 KGFYHTZWPPHNLQ-AWEZNQCLSA-N 435.889 2.520 0 50 IFAA fda O=C1CCCCN1CCNCc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 15075770 LPWRLFUYUXKXFU-XMMPIXPASA-N 437.584 2.587 0 50 IFAA CCNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 15658807 VKXGKUDFQHJNJH-IBGZPJMESA-N 427.526 2.732 0 50 IFAA CN1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 19635500 WOUCWXABZGKEEF-UHFFFAOYSA-N 442.368 2.963 0 50 IFAA Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)[C@@H]1CS(=O)(=O)C[C@H]1O 19745322 QUKCUVHKRJXKKR-NHCUHLMSSA-N 447.507 2.716 0 50 IFAA COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2 20996335 MTVFDCINFSEEGX-GOSISDBHSA-N 437.947 2.979 0 50 IFAA CCN1CCN(CCCCNC(=O)c2cnc3ccc(Br)cc3c2O)CC1 170594496 DLLUTIZVUXZNMQ-UHFFFAOYSA-N 435.366 2.850 0 50 IFAA CCC1(CC)CN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)C(C)C)CC[S@@]1=O 170597532 QDGLQFZEMFPFIU-VKGTZQKMSA-N 442.647 2.756 0 50 IFAA CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCc2nnc(-c3ccco3)[nH]2)C1(C)C 170602257 NZBIDGBQSKLTTQ-QRQCRPRQSA-N 447.536 2.822 0 50 IFAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(C(=O)c2cccc3c2COC3)CCCN1 1875240109 ILIYNCRVOVGZDA-HXUWFJFHSA-N 449.551 2.749 0 50 IFAA CC(C)(C)c1cc(NC(=O)Nc2c[nH]nc2-c2ccccn2)n([C@H]2CCS(=O)(=O)C2)n1 1875259737 SPNVYMYBODICGO-ZDUSSCGKSA-N 443.533 2.969 0 50 IFAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)C(=O)CC(C)C)CC1)c1ccccc1 11661510 GPCSTXZHLZICGP-OAQYLSRUSA-N 426.517 2.988 0 50 IFAA CCC(CC)C(=O)N1CCc2c(C(=O)N[C@@H](C)c3ccco3)c(OC)cc(=O)n2CC1 11970533 ZXOZGDWKOQFCPZ-HNNXBMFYSA-N 429.517 2.762 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCc1ccncc1 12308193 MNBTWFAENOPMSM-XMMPIXPASA-N 428.536 2.798 0 50 IFAA COc1ccc(CN2CCc3c(c(C(=O)N[C@@H](C)c4ccccc4)nn3CCO)C2)cc1 14753921 AWQALYHVYRKNCG-SFHVURJKSA-N 434.540 2.933 0 50 IFAA O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cs1 16527323 CUWUXXZXEAFEGW-UHFFFAOYSA-N 428.539 2.906 0 50 IFAA O=C1C[C@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1ccc(Br)cc1 18136578 WNXDFQMRTPAJFQ-KRWDZBQOSA-N 430.302 2.609 0 50 IFAA CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)[C@H]2CC(=O)c3ccccc32)CC1=O 20601609 ULRYMSHGXPSSAG-UGKGYDQZSA-N 435.524 2.664 0 50 IFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)Cc2cc(F)cc(F)c2)CCO3)CC1 20784150 NDEBFKLZYVFYRT-UHFFFAOYSA-N 443.494 2.593 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccc(C)s4)[nH]n3)CC2)cc1 31907107 ABJRNFFGPJRWSU-UHFFFAOYSA-N 430.555 2.902 0 50 IFAA CCOC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100914954 YSXRGUIBWUOMJG-NVXWUHKLSA-N 442.269 2.746 0 50 IFAA COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)sc1C(C)C 170625565 IUIBDAKZLKHTFB-ZDUSSCGKSA-N 448.476 2.641 0 50 IFAA Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 225808833 QSVNYBQVWHEDAZ-QGZVFWFLSA-N 438.557 2.740 0 50 IFAA Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccco3)nn2C)c(C)c1NS(C)(=O)=O 1326576466 AMRYODKATXTIKJ-UHFFFAOYSA-N 438.531 2.778 0 50 IFAA Cc1cccc(OCC(=O)N[C@H](CNC(=O)C[C@@H]2CCCNC(=O)C2)C2CCCCC2)c1 1875344200 HDHJBNAOQUPMHC-DENIHFKCSA-N 443.588 2.862 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)cc1 8442920 GCSRYIUBFIRDKF-CURYZJDOSA-N 434.517 2.807 0 50 IFAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(Br)s1 8694314 FGLPPEJNDKWGHU-WBOJAVRRSA-N 433.320 2.677 0 50 IFAA CN(C)c1nc(OCC(F)(F)F)nc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 8856781 CCHGBYLCGJTQQN-UHFFFAOYSA-N 440.514 2.970 0 50 IFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 11873227 CHBLDAAMDQWDOR-HXUWFJFHSA-N 433.512 2.961 0 50 IFAA COc1ccc2cc(CNCCCN3CCCC3=O)c(N3CCC[C@@H](CO)C3)nc2c1 14979089 YFSLUOMUZSQTTM-GOSISDBHSA-N 426.561 2.554 0 50 IFAA CCOc1ccccc1CN1C[C@@H](n2cnnn2)C[C@H]1C(=O)NCc1ccccc1Cl 14980983 DCTPRWDKKJYZQO-ICSRJNTNSA-N 440.935 2.857 0 50 IFAA O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)C1)N1CCCCC1 299801613 ZRKRQHOCURHKHL-QZTJIDSGSA-N 425.529 2.691 0 50 IFAA CC[C@@H](NC(=O)N1CCN(Cc2cn3ccccc3n2)CC1)c1nnc2n1CCCCC2 489440473 PMSKIUBPRQGVRK-LJQANCHMSA-N 436.564 2.631 0 50 IFAA Cc1nc(-c2ccco2)ccc1C(=O)OCC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1 783374287 JZQJAPGYOJOESU-CQSZACIVSA-N 439.443 2.940 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cc1cccc(C)c1)C2 1857692230 VFGWLPMBPSUNFW-TZBSWOFLSA-N 428.573 2.820 0 50 IFAA C[C@@H](C(=O)N1CC2(CC2)C[C@H]1CNC(=O)c1cc2nn[nH]c2cc1F)c1cccc(O)c1 1875360012 WJXVPYVQTVFNHX-HIFRSBDPSA-N 437.475 2.717 0 50 IFAA COC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2c(Br)cccc12 2325829814 SQLYGYYTAWSAQA-STQMWFEESA-N 432.318 2.848 0 50 IFAA O=C(Nc1ccccc1)c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)N2CCOCC2)c1 4058328 HGTFQSKSNLDZPB-LJQANCHMSA-N 445.541 2.551 0 50 IFAA COCc1ccc(C(=O)NCc2nnc3n2CCN(CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)o1 12282168 ACGWJIWVPRZPAM-HKUYNNGSSA-N 439.560 2.798 0 50 IFAA COc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1OC 21793721 FXISLUSKIWRULJ-UHFFFAOYSA-N 425.533 2.755 0 50 IFAA CC(C)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)N1CCc2ccccc2C1 225417958 VAVSTFZVSNIFAY-ZHRMCQFGSA-N 448.567 2.587 0 50 IFAA biogenic COc1ccc(CCN2C(=O)[C@]3(Cc4ccccc4N4CCC[C@H]43)C(=O)N=C2O)cc1OC 230013760 PWMQBAAJQGLVMB-OFVILXPXSA-N 449.507 2.741 0 50 IFAA biogenic C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cccc(F)c2)c1 497150544 UJXKUYMXCOMULX-HNNXBMFYSA-N 433.505 2.757 0 50 IFAA CC(C)c1nnc(N2C[C@@H](C(=O)NCc3cnn(-c4ccc(F)cc4)c3)CC2=O)s1 1857701022 OAFJREJXUAFFDC-AWEZNQCLSA-N 428.493 2.656 0 50 IFAA CN(C(=O)CNC(=O)c1cc2c(s1)CCC2)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 1875261492 UWRRIVHOZNXIBS-CQSZACIVSA-N 438.958 2.607 0 50 IFAA O=C(O)c1cc(-c2cn(C[C@H]3CCN(C(=O)[C@@H]4CCc5ccccc5C4)C3)nn2)ccn1 1875355502 LNTIQJRXMHVXGO-OXJNMPFZSA-N 431.496 2.692 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OC[C@@H]3C[N@]3CC3CC3)cc2)cc1 1875384824 JAPSJQHBCMEMAW-CPJSRVTESA-N 429.542 2.943 0 50 IFAA O=C(Cc1ccc(Br)cc1)Nc1cccc(C(=O)N2[C@H]3CC[C@H]2C(=O)NC3)c1 2325818867 ATMTVHJZMNXHDL-ROUUACIJSA-N 442.313 2.733 0 50 IFAA COCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 6904461 GQCIPTBCRVYPEF-UHFFFAOYSA-N 426.922 2.697 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccccc1 8965130 KCOZDSHLHLSRLO-CURYZJDOSA-N 434.517 2.807 0 50 IFAA COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(C/C=C/c1ccc(OC)cc1)CC2 12034467 TWKDMDRFLQEBCD-LYSGITKLSA-N 441.576 2.708 0 50 IFAA O=C(CCc1cccnc1)N1CC(=O)N(Cc2ccccc2)C[C@H](OCc2ccccn2)C1 14733277 UULBZUBCURBJMM-DEOSSOPVSA-N 444.535 2.866 0 50 IFAA O=C1C[C@](CC(=O)N2CCCC[C@@H]2CO)(c2cccc(C(F)(F)F)c2)C(=O)N1C1CC1 14987411 CWLIKOVXGWJKSI-DYESRHJHSA-N 438.446 2.628 0 50 IFAA O=C1CCCCN1CCNCc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 15075773 LPWRLFUYUXKXFU-DEOSSOPVSA-N 437.584 2.587 0 50 IFAA O=C(NCc1ccc(Cl)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253427298 LQQAHSBTCDVFIF-INIZCTEOSA-N 429.325 2.699 0 50 IFAA CCc1cc(N2CCC[C@@H](Nc3ccc(S(=O)(=O)N4CCCCC4)cn3)C2)ncn1 301240752 OCLPZWUJVDNHMS-GOSISDBHSA-N 430.578 2.690 0 50 IFAA Cc1cccc(-c2cncc(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)c2)c1 490659124 YRGNRKDPUQNNSK-UHFFFAOYSA-N 443.569 2.760 0 50 IFAA Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](O)c3ccncc3)cc2)cc1C 750495979 MHWPMGUIUPGLRX-NRFANRHFSA-N 425.510 2.963 0 50 IFAA CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1 765233018 LBLZGACGJSMPEX-KRWDZBQOSA-N 427.505 2.771 0 50 IFAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)c3c(C)noc3n2)c(C)c1 1875265475 KQGLJJDUFIOSJV-QHCPKHFHSA-N 433.468 2.629 0 50 IFAA Cc1noc([C@@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)n1 1875334104 YHBTWMRGLHDHEW-ZIAGYGMSSA-N 444.410 2.812 0 50 IFAA C=CC(=O)N1CCC(C(=O)NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 1875369603 YDBHXLMIKAFFQX-HXUWFJFHSA-N 427.545 2.889 0 50 IFAA O=C(Nc1cccc(OCC(F)F)n1)[C@H]1C[C@H]1C(=O)Nc1cccc(OCC(F)F)n1 2325714234 VHOLGMFIPIMAFF-PHIMTYICSA-N 442.369 2.978 0 50 IFAA Cc1cc(-n2ccnc2)ccc1C(=O)NS(=O)(=O)c1cnn(-c2ccccc2F)c1 2325742610 AMHWZRHCPGUXRM-UHFFFAOYSA-N 425.445 2.624 0 50 IFAA Cc1cccc(NC[C@@H]2CCCN2CC(O)CN2CCC[C@H]2CNc2cccc(C)n2)n1 2325750037 XAZYVWMZLXRNOK-VXKWHMMOSA-N 438.620 2.907 0 50 IFAA O=C(N[C@H]1CCCN(C(=O)COC2CCCCC2)C1)c1nnn(C2CC2)c1C(F)F 2325828028 WSSZDICONNBYFO-ZDUSSCGKSA-N 425.480 2.621 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCCc5c(F)cccc54)ccc3C2=O)C(=O)N1 2325901743 WAPSGYYMTLNPDH-LJQANCHMSA-N 436.443 2.571 0 50 IFAA CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccc(OC)cc1 9392289 QOKYVFFCKGDTHG-IBGZPJMESA-N 437.543 2.568 0 50 IFAA COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)CC1CCCC1)CC2 11786126 HKNWKWUQDFIMOG-UHFFFAOYSA-N 439.512 2.574 0 50 IFAA Cc1cccc(OC2CCN(C(=O)[C@H]3CCC(=O)N(CCCN4CCCC4=O)C3)CC2)c1 12587629 INCCOXJIIGHMNZ-FQEVSTJZSA-N 441.572 2.616 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1n[nH]c2c1CCC2 19335418 HVUHSQNBANVLDD-XMMPIXPASA-N 443.551 2.572 0 50 IFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)NCCCc2ccccc2)C2=C1C(=O)OC2 169758167 CNTSTXLFNRIRHB-QHCPKHFHSA-N 449.507 2.712 0 50 IFAA COC(=O)c1ccccc1[Sn](Cl)(c1ccccc1)c1ccccc1 169816067 YATXULIPSHTETN-UHFFFAOYSA-M 443.518 2.679 0 50 IFAA CC(=O)NCc1ccc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)C2COC2)s1 170603593 KXJURQHYRFBPET-UHFFFAOYSA-N 448.488 2.993 0 50 IFAA COc1cccc(CC(=O)N2CCN(C[C@@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1 241942357 ULVZNKQKSMGOGH-YADARESESA-N 429.561 2.639 0 50 IFAA C[C@@H](NC(=O)[C@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 253370892 XOUMAVHDOVUKIT-VIRVFLBCSA-N 442.537 2.877 0 50 IFAA C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 446598326 FDJIZPIEKPXDDQ-LMKMVOKYSA-N 443.507 2.640 0 50 IFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2C[C@@H]3CN(CC(C)C)C[C@]3(CO)C2)s1 1772815141 JULXYYTWFGXLDP-OXJNMPFZSA-N 439.603 2.591 0 50 IFAA Cc1nc(C)c(C)c(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 1857693494 ZGUQIFZRLAFLPN-OAQYLSRUSA-N 428.508 2.816 0 50 IFAA CS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)c1 1857701411 QCZPBGZHIGOBBN-TZIWHRDSSA-N 429.538 2.978 0 50 IFAA Cc1cccc2c1CCN(S(=O)(=O)c1ccsc1C(=O)NC[C@H]1CCCCN1)C2 1875305318 QJZHZOLWELGGKL-QGZVFWFLSA-N 433.599 2.675 0 50 IFAA C[C@@H]1CCC[C@@H](CC(=O)N=[S@@]2(=O)CCCN(C(=O)Cn3nnc4c3CCCC4)CC2)C1 2332238693 HWQSLCZJIPRJQX-YFWNDERMSA-N 449.621 2.600 0 50 IFAA CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1cc(C(C)C)n(-c2ccccn2)n1 2332239460 YTBDWSOCWCTPSR-RXVVDRJESA-N 433.512 2.799 0 50 IFAA COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)[C@H]2CCS(=O)(=O)C2)cc1 8590111 AMZYQLHSUBPOAY-KRWDZBQOSA-N 427.478 2.631 0 50 IFAA O=C(Nc1cnn(CC(=O)N(Cc2ccccn2)C[C@H]2CCCO2)c1)c1ccccc1F 11785879 VPOOHZPCKMMSQU-LJQANCHMSA-N 437.475 2.877 0 50 IFAA Cc1ccccc1[C@@]1(CC(=O)N(C)C2CCN(C)CC2)CC(=O)N(Cc2cccnc2)C1=O 11790974 ZTDLIIASWWVGRF-AREMUKBSSA-N 448.567 2.530 0 50 IFAA CCCc1cc(C(=O)N2CCC([C@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)n(C)n1 11872363 WFMOIYCFCPZRPB-QFIPXVFZSA-N 443.573 2.797 0 50 IFAA Cc1c(C(=O)N2CCN(C=O)CC2)cnn1-c1nccc(-c2ccccc2C(F)(F)F)n1 11909211 VHJYLYVZTXMKMP-UHFFFAOYSA-N 444.417 2.571 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1cn2ccsc2n1 12306267 KEVHCAUOBYTBRX-HXUWFJFHSA-N 433.537 2.556 0 50 IFAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1coc3c1C(=O)CCC3)CC2 14539995 GSJAWVSBSRUBIE-UHFFFAOYSA-N 446.507 2.944 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cccc3c2OCO3)CC1 14978564 XYQWYHMLEJTIBQ-UHFFFAOYSA-N 442.512 2.844 0 50 IFAA O=c1c2c3c(sc2ncn1CCN1CCOCC1)C[C@H](NCc1ccccc1F)CC3 14985623 GMXQRPLBINJBKE-QGZVFWFLSA-N 442.560 2.576 0 50 IFAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)Nc1ccccc1C 16447831 KATPDVDZEZMYHX-HXUWFJFHSA-N 425.510 2.978 0 50 IFAA O=C(NCCCCCN1CCOCC1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 23128917 VQSQLKROSHCPCH-UHFFFAOYSA-N 443.588 2.699 0 50 IFAA Cc1nc(CN2CCN(C(=O)CCc3nnc(CCc4ccccc4)o3)CC2)cs1 23128940 FUDZFDASXXARQD-UHFFFAOYSA-N 425.558 2.897 0 50 IFAA CC(C)N1CCC(N2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@H]2CCO)CC1 104422856 UQMFQZAVTMAPOA-JOCHJYFZSA-N 429.584 2.753 0 50 IFAA O=C(C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)N1CCc2[nH]ncc2C1 299771234 URRFXULIULBWRT-HSZRJFAPSA-N 434.521 2.643 0 50 IFAA N[C@@H]1C[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)N(Cc2ccccc2)C1 299778212 GWSLAZZUOKQDIU-CTNGQTDRSA-N 432.490 2.956 0 50 IFAA CN1N=C(C(=O)N2CCOc3ccc(CN4CCc5sccc5C4)cc3C2)CCC1=O 299787218 PGUCHGUKWGZGLO-UHFFFAOYSA-N 438.553 2.636 0 50 IFAA Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCc2c(Br)cccc2C1 439726180 HGYPWHDCCDQKKH-UHFFFAOYSA-N 427.320 2.799 0 50 IFAA Cc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccccc3)n3cnc(C(N)=O)c3n2)o1 1875350242 GGCSMQIAQGUQDE-UHFFFAOYSA-N 441.451 2.894 0 50 IFAA CSc1nc(C(=O)NC[C@@H]2CCC3(CCN(C(=O)c4ccccn4)CC3)O2)cs1 11881844 KQFVOVLCUDZSFK-AWEZNQCLSA-N 432.571 2.844 0 50 IFAA O=C1NCCN(Cc2ccc(-c3ccccc3)cc2)[C@@H]1CC(=O)N1CCN(CC2CC2)CC1 12705556 LOIHMLWXMWLAST-RUZDIDTESA-N 446.595 2.598 0 50 IFAA COc1ccc(/C=C/C(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)cc1 14987179 VVLYAVNVXCRTBW-DLENHJPASA-N 425.533 2.910 0 50 IFAA CCOC(=O)c1ncsc1NS(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1 170617363 XLTYRNOQZPLEFS-UHFFFAOYSA-N 430.479 2.818 0 50 IFAA CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(O[C@@H]4CCCC[C@@H]4O)cc3)ccc21 170631707 VROWYJDNUSLDEY-LEWJYISDSA-N 430.526 2.943 0 50 IFAA O=C(NC[C@H]1[C@H]2CN(C(=O)CCC(F)(F)F)C[C@]23CC[C@H]1O3)c1n[nH]c2ccccc12 1704337134 WEQQQXAOPJSZFX-XGNBGGDFSA-N 436.434 2.641 0 50 IFAA CCOC(=O)c1cccc(NC(=O)c2cccc(NC(=O)N[C@@H](CO)c3ncc[nH]3)c2)c1 2325854199 RUAXJFQGDRMBDM-SFHVURJKSA-N 437.456 2.694 0 50 IFAA O=S(=O)(c1cccc(Cl)c1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697736 LEFCCNRWJUNXJY-UHFFFAOYSA-N 430.921 2.780 0 50 IFAA COCc1c(C(=O)N(C)CCCN(C)C)cnn1-c1ncc(C)c(-c2cccs2)n1 14984938 WQLKFDDAZQLUFJ-UHFFFAOYSA-N 428.562 2.869 0 50 IFAA COc1cc(COC[C@@H](O)CN2CCN(c3ccccc3F)CC2)cc(OC)c1OC 19867241 OQHYXWTZUJLSBC-SFHVURJKSA-N 434.508 2.551 0 50 IFAA Cc1cccc(CN2CCC(N3CCC(C(=O)NCC4(O)CCCCC4)CC3)CC2)n1 55270099 YOKYYVDFUWQHTP-UHFFFAOYSA-N 428.621 2.878 0 50 IFAA CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC2(c3ccncc3)CCCCC2)cc1 170594589 KECIEFLIRSMHAW-UHFFFAOYSA-N 443.569 2.971 0 50 IFAA COC(=O)c1cccc(OC)c1N(C)C(=O)c1cccc(CN2C(=O)CSC2=O)c1 170603864 WFWVLMRIACRKHW-UHFFFAOYSA-N 428.466 2.954 0 50 IFAA CO[C@H]1C[C@H](C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)N(C(=O)OC(C)(C)C)C1 170611049 NFWUSMPWAZTYMO-RBUKOAKNSA-N 449.523 2.571 0 50 IFAA CCN(CC)[C@@H](CNC(=O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccco1 229735390 WHNLKQQFOAPZBF-UXHICEINSA-N 442.608 2.976 0 50 IFAA C[C@H](C(=O)N(C)CC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1)n1cccn1 253395722 GLFKHSPDYUHDJY-BPLDGKMQSA-N 437.313 2.867 0 50 IFAA CCOc1ccccc1C=c1sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OC)=C(C)N=2 254845208 JVLBSOGCQNTBQF-IBGZPJMESA-N 440.546 2.868 0 50 IFAA CC[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1 952972365 VJVKZHNZTXGYJT-KRWDZBQOSA-N 432.528 2.947 0 50 IFAA COCC[C@@H](CNC(=O)c1cc2cc(Cl)ccc2n1C)NC(=O)C1SCCS1 2325877678 XCMNFXXSEMZECS-AWEZNQCLSA-N 442.006 2.889 0 50 IFAA C[S@](=O)(=NC(=O)[C@@H]1CCC[C@H](F)C1)C1CCN(C(=O)Cn2ccc(C(F)F)n2)CC1 2332239060 UXNPAMKMORBVMY-FZTYZDATSA-N 448.511 2.964 0 50 IFAA COc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 654172 UOCWUBZEBSPMLL-UHFFFAOYSA-N 438.933 2.711 0 50 IFAA Cc1cccc(C(=O)NCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)c1 2859653 DZXLABFENHCRHX-UHFFFAOYSA-N 430.559 2.592 0 50 IFAA O=C(NC1CC1)c1cn(CC[C@H]2CCCCN2C(=O)COc2ccc(Cl)cc2)nn1 12205807 KCSOIOINPWSPLW-QGZVFWFLSA-N 431.924 2.674 0 50 IFAA Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 15671296 JNKNZVMNZNYZJJ-UHFFFAOYSA-N 435.981 2.940 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C)cc2C)CC3)cc1 23129515 LIGPRRNQAOJCQJ-UHFFFAOYSA-N 433.556 2.934 0 50 IFAA CN(c1ccc(OCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1)S(C)(=O)=O 71754961 VCFAAIOESUXYTD-UHFFFAOYSA-N 445.541 2.726 0 50 IFAA O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)NCCCN1CCOCC1 96410096 MBRRDUYJVQJABX-HSZRJFAPSA-N 427.520 2.600 0 50 IFAA COCCn1c(Cc2cccc3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1 253393044 OTMBDXYHAGDLJZ-IBGZPJMESA-N 428.558 2.682 0 50 IFAA C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)Cc2ccccc21 2325898108 SJAATLJGYKUXBT-VLIAUNLRSA-N 432.480 2.599 0 50 IFAA COc1ccc2ccccc2c1CN(C)CCn1cc(C(=O)N2CCSCC2)nn1 12020451 YQVKAZFPJNPEEL-UHFFFAOYSA-N 425.558 2.761 0 50 IFAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNC2(c3ccccc3)CC2)c1 12386672 BIRUAVNBOGNHHB-JOCHJYFZSA-N 426.557 2.671 0 50 IFAA COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)cc1Cl 12706023 OETHVHXHEIRDGY-CQSZACIVSA-N 434.924 2.914 0 50 IFAA CNC(=O)C[C@@H](NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 225475629 HVHQUZPISXSISF-ZWKOTPCHSA-N 444.329 2.796 0 50 IFAA Cc1ccc(C)c(NC(=O)CN2CCn3nnc(-c4nc(-c5ccccc5)no4)c3C2=O)c1 263616142 HILSPIVRBAAIJH-UHFFFAOYSA-N 443.467 2.706 0 50 IFAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc4ccccc42)C1=O)CC3 779032425 FAPCGRXUURHRCA-QLXKLKPCSA-N 442.519 2.843 0 50 IFAA Cc1cccc([C@@H](NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)C(=O)OC(C)(C)C)c1 1289414336 LXHVVGPVYHOISV-HXUWFJFHSA-N 437.496 2.860 0 50 IFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cc1ccccc1F)C2 1857682938 RRWACVSKUBFLFZ-JXALWOEJSA-N 432.536 2.651 0 50 IFAA CN(C)c1noc([C@@H]2CCCN2C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)n1 2325730969 HTYPRGNERZWLJQ-AWEZNQCLSA-N 442.545 2.540 0 50 IFAA CNS(=O)(=O)c1cc(/C=C/C(=O)OCc2ccc(-n3ccnc3)cc2)ccc1OC 2325749432 RFOVFDIAOJIHKZ-UXBLZVDNSA-N 427.482 2.546 0 50 IFAA O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1C(=O)[C@]1(C2CCCC2)CCNC1=O 2325850574 BPRFJSBHWWJUHR-ZHRRBRCNSA-N 426.542 2.922 0 50 IFAA CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2cccc(OC)c2OC)CC3)CC1 11881963 BGVQBVOUOYPWCF-IBGZPJMESA-N 445.560 2.607 0 50 IFAA Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@@H](C(=O)N2CCCN(C)CC2)C3)c1C 12035109 SVCMWQNBVZTMQD-INIZCTEOSA-N 440.569 2.921 0 50 IFAA COc1cc(CCC(=O)N2CCOC[C@H]2c2nc(C)no2)ccc1OCC(F)(F)F 170594336 BYOCEWGCONFUKI-AWEZNQCLSA-N 429.395 2.860 0 50 IFAA C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCS1(=O)=O 170613670 NJOMUQDFNVPSNP-AWEZNQCLSA-N 446.491 2.593 0 50 IFAA COC(=O)c1ccc(O)c(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)c1 225737616 UPONFFZVTREIQN-UHFFFAOYSA-N 444.465 2.811 0 50 IFAA CC(C)N(C(=O)CO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21)c1ccccc1 229809978 NJHYYAKMLCLPQN-JBINPLMMSA-N 435.517 2.841 0 50 IFAA Cc1ccc([C@@H](CNC(=O)N2CCN(C(=O)c3ccccc3O)CC2)N2CCCC2)o1 436562627 LBPOKKDBRGMXTJ-LJQANCHMSA-N 426.517 2.598 0 50 IFAA COc1ccnc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)c1 1857704814 HBBMPDYYJPTSHH-JOCHJYFZSA-N 429.492 2.500 0 50 IFAA CCN1CCCC[C@@H]1CNc1ccc(C(=O)N2CCCN(c3nc(C)ns3)CC2)cn1 1875325264 KNMVKZRWGJDXRV-LJQANCHMSA-N 443.621 2.880 0 50 IFAA O=C(N=[S@@]1(=O)CCCN(C(=O)CCn2cccn2)CC1)C1CCC(C(F)(F)F)CC1 2332238341 MNQZUTWDIWLDHT-RPFWBBBYSA-N 448.511 2.869 0 50 IFAA Cc1nc2ccc(N(C)C(=O)c3cc(-c4ccc(NS(C)(=O)=O)cc4)nn3C)cc2[nH]1 2332239395 PQUPJHRQKIVOOB-UHFFFAOYSA-N 438.513 2.920 0 50 IFAA COc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c(OC)c1 662154 XWBVTMYNHZKMLP-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1 12003305 JEVGYTFGRHYXCR-UHFFFAOYSA-N 431.901 2.860 0 50 IFAA COc1ccc(CN2CCOc3ccc([C@@](C)(O)CN(C)C)cc3C2)c(OC)c1OC 12031154 DFYGTXJEPVAMHL-DEOSSOPVSA-N 430.545 2.876 0 50 IFAA COc1ccc(CN2CCOc3ccc([C@](C)(O)CN(C)C)cc3C2)c(OC)c1OC 12031157 DFYGTXJEPVAMHL-XMMPIXPASA-N 430.545 2.876 0 50 IFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCC(N3C[C@H](C)O[C@H](C)C3)CC1)C2 14733527 BBNQKFREYRNHNM-SVFBPWRDSA-N 443.636 2.570 0 50 IFAA CCOC(=O)CCNC(=O)N1CCC[C@@](Cc2ccc(F)cc2F)(C(=O)OCC)C1 14958375 KSMJPAMVDDGKNQ-NRFANRHFSA-N 426.460 2.815 0 50 IFAA CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccc(Br)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 245225875 WLZITUKKHHQEKY-SSZWKKLZSA-N 429.263 2.751 0 50 IFAA COc1ccc(N2C[C@H](C(=O)N(C)C[C@@H]3CCCN4CCCC[C@@H]34)CC2=O)c(OC)c1 299754372 DWVWVAORASEINR-NSHGMRRFSA-N 429.561 2.780 0 50 IFAA biogenic COC(=O)Nc1cc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1F 727617519 WSINOZNLQQDDRS-WMLDXEAASA-N 428.464 2.894 0 50 IFAA CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1 751276293 NDUQEIJJUVBIMT-UHFFFAOYSA-N 435.521 2.945 0 50 IFAA CN1CCC(=O)Nc2cc(C(=O)N3CCC[C@@H](n4cc(-c5cncc(F)c5)nn4)C3)ccc21 1875359236 YXECBHLKRPHCIQ-GOSISDBHSA-N 449.490 2.735 0 50 IFAA Cc1ccccc1CSCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 2875773 WJEIKNORJGFKIL-UHFFFAOYSA-N 436.555 2.539 0 50 IFAA COC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 5023227 PJKOLNKWGPPYIW-VQIMIIECSA-N 430.526 2.893 0 50 IFAA COc1ccc(CN(C)CCCN(C)C)cc1OC[C@H](O)CN(C)Cc1ccccc1 55073868 IEHREFGSWHCIKG-HSZRJFAPSA-N 429.605 2.950 0 50 IFAA COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3nc(C)cc3C)ncn2)CC1 67629606 CEWDPBKDSBCQOX-UHFFFAOYSA-N 426.908 2.904 0 50 IFAA COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ccccc3OC3CC3)CC2)c1 242191276 XEGUUEIEHTWDIZ-UHFFFAOYSA-N 432.542 2.752 0 50 IFAA C[C@H](C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 249681013 BBSMPINLNMSYNB-RAIGVLPGSA-N 444.841 2.622 0 50 IFAA CCOc1cc(NC2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)CC2)ncn1 466605828 DLYCDSIFEPYLAF-LJQANCHMSA-N 437.544 2.635 0 50 IFAA CNS(=O)(=O)c1csc(C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)c1 482327379 PGTBTEOXQCPOQG-LLVKDONJSA-N 449.476 2.564 0 50 IFAA C[C@H](OC(=O)C1(Cc2ccc(Cl)cc2)CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 771170513 IHERJOORLOPAEB-ZDUSSCGKSA-N 436.917 2.881 0 50 IFAA CN(CCCNC(=O)c1cc(-c2ccccc2)n2cnc(C(N)=O)c2n1)Cc1ccccc1 1875350531 QTCJACUMFTWKRB-UHFFFAOYSA-N 442.523 2.747 0 50 IFAA COc1ccc([C@H]2N(S(=O)(=O)c3cnc(NC(C)=O)s3)CC2(C)C)cc1OC 1875355094 ZZIFEWIHICUJGK-MRXNPFEDSA-N 425.532 2.891 0 50 IFAA COc1ccc(Cl)cc1N1C(=O)C(=CN[C@@H]2CCS(=O)(=O)C2)c2ccccc2C1=O 2082927046 ZEOGUKMKGRHJSY-CQSZACIVSA-N 446.912 2.653 0 50 IFAA CC(C)CC[C@@]1(C2CCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)NC(=O)N(CCN(C)C)C1=O 12035057 BNXIJKJZHNSJKR-JCYRRQQNSA-N 444.620 2.726 0 50 IFAA C/C=C(\C)C(=O)N1CCc2c(sc(S(=O)(=O)NC3CCCC3)c2C(=O)OC)C1 12100399 PDLNFBRUCYDZLS-UUILKARUSA-N 426.560 2.607 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccncc1 23380024 VPZAKHQRVFRPHC-DEOSSOPVSA-N 428.536 2.720 0 50 IFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(N(C)C)c4)ccn3n2)cc1 169749856 OVCASFDLYYCZTE-UHFFFAOYSA-N 431.496 2.668 0 50 IFAA O=C(CCSc1ccccn1)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 225716455 POXZGBLXIHFPSJ-SFHVURJKSA-N 431.533 2.537 0 50 IFAA Cc1cc(NC(=O)CN2CCN(C(=O)N[C@H]3CC(C)(C)Oc4cc(F)ccc43)CC2)no1 482916597 AMXNQSSTZUSCER-KRWDZBQOSA-N 445.495 2.690 0 50 IFAA N=c1nc([C@H]2CCCN(S(=O)(=O)c3cccc4cncc(Br)c34)C2)cc[nH]1 1875257198 RZRQVAATMRDLQR-ZDUSSCGKSA-N 448.346 2.768 0 50 IFAA CCc1ccsc1C(=O)N=[S@@](C)(=O)C1CCN(C(=O)COC[C@@H]2CCCO2)CC1 2332238520 BDHPYHDHOPIKSF-OFJJUDJNSA-N 442.603 2.735 0 50 IFAA CCOCCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 12750482 UUMKPWZSNSIAHO-JOCHJYFZSA-N 425.529 2.712 0 50 IFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N1CCN(c3ccccc3OC)CC1)C2 14536748 ZNKUXHWCPLDEGI-IBGZPJMESA-N 437.588 2.827 0 50 IFAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1)c1ccc(-c2ccccc2)cc1 14732686 VXUWXFJJQMWCIE-VXNXHJTFSA-N 439.515 2.794 0 50 IFAA COc1ccc(C[C@]2(CCC(=O)NC[C@H](C)Oc3cccnc3)CCC(=O)N2)c(F)c1 14887594 AMGZZQKVDZXPOP-HJPURHCSSA-N 429.492 2.785 0 50 IFAA CC1CCN(Cc2nnnn2CCCC(=O)N[C@H](C)c2cnn(-c3ccccc3)c2)CC1 14974378 OFHWZDVEMNBEEF-LJQANCHMSA-N 436.564 2.748 0 50 IFAA COc1cccc(CCN2C(=O)c3cccc(N4CCN(C(=O)C5CC5)CC4)c3C2=O)c1 14976159 SOFQBJGEQMITJL-UHFFFAOYSA-N 433.508 2.593 0 50 IFAA CCOC(=O)CCNC(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 15068797 NKLINOVXUGUKGB-UHFFFAOYSA-N 449.467 2.618 0 50 IFAA COc1cc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1 19608282 WKLLLQIHOKYBJC-UHFFFAOYSA-N 430.501 2.688 0 50 IFAA O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@H]1C[C@H]1c1c(F)cccc1F 170629076 OXPLPESWJYPFFV-DOMZBBRYSA-N 435.224 2.996 0 50 IFAA C[C@@H](CCc1ccccc1)NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 263618428 SYAHEHSIQQNHMM-KRWDZBQOSA-N 448.498 2.932 0 50 IFAA COc1ccc(CCc2nc(NC(=O)CC3(n4cccc4)CCOCC3)n[nH]2)cc1OC 409413750 LIYDUKDEKYVXJV-UHFFFAOYSA-N 439.516 2.943 0 50 IFAA CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N(C)C1CCCCC1 465145552 LDUMZVKDPAYCLB-NRFANRHFSA-N 426.561 2.759 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1cccn1C1CC1)C2 1857683379 WJHXFQPWPUKNIV-DRMXPCRNSA-N 429.561 2.719 0 50 IFAA Cc1nc(N(C)C)sc1S(=O)(=O)NC(=O)c1cccc(-c2cccc(CN)c2)c1 1875343893 XSMPYOFOWUAPJA-UHFFFAOYSA-N 430.555 2.762 0 50 IFAA O=C(c1cnc(-c2ccccn2)nc1)N1CCC[C@@]12CCCN(Cc1ccccn1)C2=O 2356165266 AIQXQKVOKVSHAB-XMMPIXPASA-N 428.496 2.731 0 50 IFAA O=C(CN1CCc2ccccc2C1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 11664912 LSDJWPMGVRHUKH-HSZRJFAPSA-N 436.575 2.997 0 50 IFAA C[C@@H](c1ccon1)N(C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 12453872 IZSPKQKCGBJNPN-AVRWGWEMSA-N 446.507 2.919 0 50 IFAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(CCN(C)C)C(=O)N2CCc1ccc(OC)cc1 14533227 ZEBQXZBDJDWQLU-LJQANCHMSA-N 430.593 2.697 0 50 IFAA CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)c1cscn1)CC2 14537323 PBSFEELMLHJXBO-UHFFFAOYSA-N 426.498 2.772 0 50 IFAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccco1)CC2 14732180 KFSADBVHGYTDPQ-UHFFFAOYSA-N 426.517 2.553 0 50 IFAA COc1cccc(C(=O)N[C@H](C)c2nnc3n2CCN(Cc2ccccc2OC)CC3)c1 14989816 MQLFKJANWXOHEU-QGZVFWFLSA-N 435.528 2.845 0 50 IFAA O=C(CC[C@@H]1CCCN(C(=O)Cc2ccccn2)C1)N1CCN(Cc2ccccc2)CC1 19642458 CTBDZNXSPUKFPC-QHCPKHFHSA-N 434.584 2.987 0 50 IFAA Cc1ncsc1C(=O)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20500255 VJBLSYDQUSMBLG-SFHVURJKSA-N 428.558 2.603 0 50 IFAA COc1ccc(CNCCc2cccc(Cl)c2)cc1OC[C@@H](O)CN1CCN(C)CC1 20539445 KYICKYOTQGWMLK-QFIPXVFZSA-N 448.007 2.668 0 50 IFAA CSc1nc(C(F)F)cc(N2CCC[C@@]3(NC(=O)c4nccnc4N)CCC[C@@H]23)n1 1875334785 DZTJMXIGJBLKPF-BLVKFPJESA-N 435.504 2.830 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)CC1 11783619 UFIDOXKKUZQURU-UHFFFAOYSA-N 446.511 2.651 0 50 IFAA COC(=O)c1ccc(CN2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 12041115 YOVJEISYTSMIIP-RUZDIDTESA-N 435.524 2.896 0 50 IFAA Cc1nonc1CN(C)C(=O)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1 12075499 LJHWWHQWJRSZMS-UHFFFAOYSA-N 435.484 2.729 0 50 IFAA COCC(=O)N1CCC(Oc2ccccc2C(=O)N(C)C[C@@H](O)c2ccccc2)CC1 12373759 XULCEBNTCWQTNG-OAQYLSRUSA-N 426.513 2.508 0 50 IFAA O=C(NC[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1)c1cccnc1 12583069 JQFSXXKUFXHYJD-AWEZNQCLSA-N 443.447 2.811 0 50 IFAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccnc1)CC2 14538546 CBOJFSPVJQSJCH-UHFFFAOYSA-N 438.528 2.536 0 50 IFAA CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)Cc2cccc(F)c2F)CC1=O 14539907 MBJSOWGPBWFETP-IBGZPJMESA-N 431.483 2.815 0 50 IFAA COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)C4CCN(C)CC4)c3C)ncc1CC2 14987137 QVWYHHOKRXWYFG-UHFFFAOYSA-N 446.555 2.911 0 50 IFAA O=c1c2c3c(sc2ncn1CCN1CCOCC1)C[C@H](NCc1cccc(F)c1)CC3 15001854 YXLZRRYUNKHGTJ-GOSISDBHSA-N 442.560 2.576 0 50 IFAA O=C(c1nc2ccc(Cl)cn2c1CNCCN1CCC[C@@H](O)C1)N1CCCCCCC1 19744421 ZQAMWYQFSVQPLQ-LJQANCHMSA-N 448.011 2.940 0 50 IFAA COc1ccc(Cc2noc(CN3CCN(Cc4csc(C)n4)CC3)n2)cc1OC 20204728 PNHKFLPCXMDJLK-UHFFFAOYSA-N 429.546 2.760 0 50 IFAA O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(I)cc1 101464573 OWNWGISRDQJPBF-DPDCMNJDSA-N 438.265 2.651 0 50 IFAA COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4cccc(F)c4N4CCC[C@H]43)C2=O)cc1 229905113 SAIOMVGMCIZMNJ-CYFREDJKSA-N 437.471 2.667 0 50 IFAA O=C(C[C@@H](c1ccc2c(c1)OCO2)c1c(O)c2ccccc2oc1=O)NCCc1c[nH]cn1 253470545 FNEOFTWREADZDZ-KRWDZBQOSA-N 447.447 2.831 0 50 IFAA Cc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)cc1C 263618519 UDXSRGALNNWCPE-UHFFFAOYSA-N 449.496 2.768 0 50 IFAA CCc1cc(C(=O)N2CCC([C@@]3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)no1 299760347 FRUFAGPKTOFFBH-JOCHJYFZSA-N 428.464 2.739 0 50 IFAA O=C([C@H]1CC12CCCCC2)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857717661 RJTDFTUPPSSHCI-GOSISDBHSA-N 426.561 2.796 0 50 IFAA N=c1nc(N2CCOCC2)nc(C(=O)N[C@H](c2ccccc2Cl)C2CCCCC2)[nH]1 1875339107 WQNPXWZBWCXUGN-KRWDZBQOSA-N 430.940 2.826 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OC[C@@H]3C[N@@]3CC3CC3)cc2)cc1 1875384825 JAPSJQHBCMEMAW-NBGIEHNGSA-N 429.542 2.943 0 50 IFAA O=C(Cn1nc(O)c2ccccc2c1=O)N1CCc2cc(F)c(Br)cc2C1 2325864751 YXYBZAGBKGPUHH-UHFFFAOYSA-N 432.249 2.589 0 50 IFAA COc1cccc(NC(=O)Cc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2C)c1 2859481 GMLLAKCLVRQOJN-HNNXBMFYSA-N 439.541 2.974 0 50 IFAA Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 11870799 WVCSYTUACGTPIO-VWNXMTODSA-N 432.528 2.967 0 50 IFAA Cc1nc(C)c(C(=O)N2CCC([C@@]3(Cc4ccccc4F)NC(=O)NC3=O)CC2)s1 12034235 BBWOEUBJYXNOPN-OAQYLSRUSA-N 430.505 2.572 0 50 IFAA COc1ccc(/C=C(/NC(=O)c2ccc(Br)cc2)C(=O)N[C@H](C)C(=O)O)cc1 12381011 BNNPBJYUULRPGP-PBSOMRJOSA-N 447.285 2.818 0 50 IFAA COc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1OC1CCN(C(C)=O)CC1 12480322 OJLVOTUHCXRKDL-UHFFFAOYSA-N 426.513 2.720 0 50 IFAA CC(C)CN1C[C@@H](OCc2cccnc2)CN(C(=O)CCC(=O)c2ccccc2)CC1=O 14538550 YGLJUWHDFCEJAC-JOCHJYFZSA-N 437.540 2.957 0 50 IFAA Cc1ccc2cc(CN[C@H]3CCS(=O)(=O)C3)c(=O)n(CCOc3ccccc3)c2c1 14995694 BLQWRUZINVGJPU-FQEVSTJZSA-N 426.538 2.666 0 50 IFAA COCCn1cc(C(=O)NCCc2cccc(Cl)c2)c(=O)c(C(=O)NC2CCCC2)c1 15073026 WXBOVEBRZQNGCJ-UHFFFAOYSA-N 445.947 2.793 0 50 IFAA COCCNC(=O)[C@@H]1C[C@@H](NC2Cc3ccccc3C2)CN1Cc1ccccc1Cl 23362745 GLMVNSFYJWUFHR-GGAORHGYSA-N 427.976 2.803 0 50 IFAA CCc1nnc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cc(Br)ccc34)C2)s1 169772978 QQDWDTIKTOXORH-QMMMGPOBSA-N 435.307 2.731 0 50 IFAA COc1cccc(OC)c1OC1CCN(c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 252500904 TYWLKWXALQEFOB-UHFFFAOYSA-N 447.557 2.931 0 50 IFAA O=C(NC[C@@H]1CC2(CCC2)CN1C(=O)c1ccc2nccnc2c1)c1cncc2nc[nH]c12 1875359711 NJWWPLBXRBYESM-INIZCTEOSA-N 441.495 2.716 0 50 IFAA O=C(Cc1cncc(O)c1)N1CCC[C@H]([C@H]2CCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1875361537 UZFRCOMJHJAGKL-PMACEKPBSA-N 447.539 2.949 0 50 IFAA Cc1c(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cccc1S(=O)(=O)N(C)C 2325820057 YRDGFXHWFMQOAY-SJLPKXTDSA-N 429.542 2.794 0 50 IFAA NS(=O)(=O)c1ccc(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 824914 UFXBPIGNDBMZFE-GFCCVEGCSA-N 428.750 2.934 0 50 IFAA COC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O 9261175 BQNFQRVHKWBOMD-GZTJUZNOSA-N 426.450 2.913 0 50 IFAA CCOC(=O)N1CCN(C(=O)/C(=C/c2ccccc2F)NC(=O)c2ccccc2)CC1 9335021 VSHNCRFTAQOGGQ-SILNSSARSA-N 425.460 2.897 0 50 IFAA O=C1C[C@@H](C(=O)NC[C@@H]2CCC3(CCN(Cc4ccncc4)CC3)O2)C2(CCCCC2)O1 11783241 LBXDMBGPHVPZIY-SFTDATJTSA-N 441.572 2.977 0 50 IFAA CO[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)C1 12159855 CMHPTWFDODBOSN-CJFMBICVSA-N 435.524 2.614 0 50 IFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)[C@@H]1CCCN(c2ccccn2)C1 12761839 MQXZMAMUULHEDG-JOCHJYFZSA-N 427.637 2.953 0 50 IFAA COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)Nc2nnc(CC(C)C)s2)C1=O 170625737 ZKOBMODOJIGWKI-AWEZNQCLSA-N 431.518 2.585 0 50 IFAA CC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 252484645 GCNJGALYGGLTRY-FDQGKXFDSA-N 439.965 2.700 0 50 IFAA CC(C)C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nnc2ccccn12 409414881 QMRVFTLYUYCNQY-ZWKOTPCHSA-N 434.500 2.838 0 50 IFAA COc1ccc([C@H](CC(=O)NCc2cccnc2)c2c(O)n3ccccc3nc2=O)cc1 1776111813 RFINADDMMSKAHO-IBGZPJMESA-N 430.464 2.642 0 50 IFAA C[C@@H]1CCC[C@@H](CC(=O)N=[S@]2(=O)CCCN(C(=O)Cn3nnc4c3CCCC4)CC2)C1 2332238690 HWQSLCZJIPRJQX-OJXHOQKUSA-N 449.621 2.600 0 50 IFAA CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)[nH]c1=O 2836765 NTDYHJWLNQFBGZ-UHFFFAOYSA-N 436.799 2.837 0 50 IFAA COc1ccccc1N1CCN(C(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 2877316 DWFKGEDOENKRAV-IBGZPJMESA-N 445.585 2.815 0 50 IFAA CCOC(=O)[C@]1(C(F)(F)F)N=C(N2CCOCC2)Oc2c1c(C)nn2-c1ccccc1 3612154 NPINOMQCEYKMEP-LJQANCHMSA-N 438.406 2.582 0 50 IFAA O=C1C[C@@H](C(=O)NC[C@H]2CCC3(CCN(Cc4ccncc4)CC3)O2)C2(CCCCC2)O1 11783243 LBXDMBGPHVPZIY-RTWAWAEBSA-N 441.572 2.977 0 50 IFAA Cc1ccc(CNC(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)cc1 12593228 GKJMHGQPDNSGOU-UHFFFAOYSA-N 431.558 2.575 0 50 IFAA COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(C)(=O)=O)c(OC)c1 15227893 JLWMTNHSPTZWBE-UHFFFAOYSA-N 438.571 2.687 0 50 IFAA COc1cccc(N2CCN(C(=O)CC[C@@]3(Cc4cccs4)CCC(=O)N3)CC2=O)c1 19224361 OJMOEMMMMMYZFD-HSZRJFAPSA-N 441.553 2.604 0 50 IFAA CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc(C(C)=O)c1C 20607707 UUHSOXZKAZAKHG-ZIAGYGMSSA-N 434.514 2.940 0 50 IFAA COCCn1c(CN(C)CCCN2CCCC2)cnc1S(=O)(=O)CC1CCCCC1 23339352 JRFSOIVRRQKNCX-UHFFFAOYSA-N 440.654 2.801 0 50 IFAA CC(=O)N1[C@@H](C)CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H]1C 30819411 IFYSRUMRQMXIEJ-UWVGGRQHSA-N 437.418 2.897 0 50 IFAA COC(=O)C1=CC[C@@]23CC[C@@H]([C@@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@]3(OC(C)=O)CC1 53224945 VDGOFNMYZYBUDT-SBJGJGDVSA-N 432.469 2.871 0 50 IFAA biogenic Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1c(F)cccc1F)CC(=O)N2 65365821 QGEGBZAFALDRHJ-ZDUSSCGKSA-N 426.427 2.560 0 50 IFAA CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@H](c2cccc(F)c2)C1 170618434 BUKGGYKFJXZFBF-SFHVURJKSA-N 433.461 2.740 0 50 IFAA CC(=O)c1ccc(C(=O)N2CCOc3ccc(CN4CCN(C(C)=O)CC4)cc3C2)cc1 299759833 NRQXXEPIWBTLBE-UHFFFAOYSA-N 435.524 2.588 0 50 IFAA Cc1cc(C)n(Cc2cccc(C(=O)NCC[C@@](O)(c3nccn3C)C(F)(F)F)c2)n1 303031364 PUTPERKQMQBYGF-HXUWFJFHSA-N 435.450 2.852 0 50 IFAA Cn1nc(-c2nc(COc3ccc(F)cc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C1CC1 1857678674 KDAHFIXUEMOIKB-OAHLLOKOSA-N 431.493 2.634 0 50 IFAA Cn1ccc(=NC(=O)CN2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)[nH]1 1857699513 QWNIIYOVQUPGJL-JOCHJYFZSA-N 439.604 2.742 0 50 IFAA CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2ccc3nnc(-c4ccccc4)n3c2)c1 1875317255 STBAEFIXFQZQMV-HNNXBMFYSA-N 435.509 2.795 0 50 IFAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc(OC)c2OC)c1 779989 NYUQXVUMJLLHSS-IBGZPJMESA-N 427.457 2.988 0 50 IFAA Cc1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(=O)n(-c2ccccc2)n1C 1108513 DFYWFWICNUCHJX-UHFFFAOYSA-N 440.525 2.521 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)Cc2ccccc2)cc1C 1116793 MDUUMTQPIFTCQI-UHFFFAOYSA-N 439.537 2.906 0 50 IFAA COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)NCCN1C(=S)Nc1ccccc1 1119300 ICIVUDRFDPRSCL-MRXNPFEDSA-N 432.933 2.875 0 50 IFAA O=C(N[C@@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1ccccc1Cl 3053160 KUTAKUIUVFMMHK-LBPRGKRZSA-N 431.172 2.973 0 50 IFAA CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2)CC1 9226875 YZPZHFCXOZFYNK-UHFFFAOYSA-N 429.498 2.654 0 50 IFAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2C[C@@H](NCc3nc(-c4ccccc4)cs3)C[C@@H]12 14744355 HDVJOEFYQUYDNE-ZJOUEHCJSA-N 432.549 2.610 0 50 IFAA COc1cc(CN[C@@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc(OC)c1OC 14749182 AHOBAELGLFJYKA-QGZVFWFLSA-N 442.560 2.719 0 50 IFAA CCn1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)c1C 19632470 GQHZDXWDPGZOIR-GJZGRUSLSA-N 440.591 2.964 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3cc(F)ccc3F)cc2OC)CC1 19839480 HKTQSNQAOUMOIX-OAQYLSRUSA-N 449.542 2.640 0 50 IFAA COc1cc(OC)c(NC(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1Cl 35598119 SOOWSAYJCJVPBN-UHFFFAOYSA-N 443.895 2.687 0 50 IFAA CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COCC(F)(F)F 101175126 IUQAXCIUEPFPSF-UHFFFAOYSA-N 440.823 2.943 0 50 IFAA in-vitro CCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2nccs2)C1 241809983 SCEAUNDPRMGEHX-QGZVFWFLSA-N 431.566 2.601 0 50 IFAA CN1CCCC[C@@H]1C(=O)NC[C@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 244659553 HESGULPANIIOMJ-TZIWHRDSSA-N 428.554 2.661 0 50 IFAA CCOC(=O)c1cccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C[C@@]34C=C[C@H]2O4)c1 252431018 YIZDFQHPOKSVMG-YCFYUYSTSA-N 448.475 2.797 0 50 IFAA N=c1nc([C@@H]2CCCN(S(=O)(=O)c3cccc4cncc(Br)c34)C2)cc[nH]1 1875257197 RZRQVAATMRDLQR-CYBMUJFWSA-N 448.346 2.768 0 50 IFAA Cc1cc(C)cc(-c2cn(Cc3ccc(C(=O)N[C@@H]4CCO[C@H](CC(=O)O)C4)o3)nn2)c1 1875353960 MFTACRHPHYBEGE-MJGOQNOKSA-N 438.484 2.955 0 50 IFAA C[C@](CO)(NC(=O)Cc1csc(N2CCCNC2=O)n1)c1cccc(C(F)(F)F)c1 2325852220 WRFCIJNPQGGPBX-GOSISDBHSA-N 442.463 2.648 0 50 IFAA Cc1cccc2c1CCCN2C(=O)Nc1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325901791 YGOHLTKSDANPDB-HXUWFJFHSA-N 432.480 2.741 0 50 IFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)n1 913130 SVHCDKKVFKPIFA-LJQANCHMSA-N 440.481 2.673 0 50 IFAA O=C(NCCc1c[nH]c2ccccc12)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl 12003467 YCFGTFRHDNDKBU-UHFFFAOYSA-N 431.901 2.860 0 50 IFAA CCN1C(=O)C[C@@](CC(=O)N(C)CCc2cn[nH]c2)(c2cccc(C(F)(F)F)c2)C1=O 12050958 CREHPUUIFBYLIL-FQEVSTJZSA-N 436.434 2.536 0 50 IFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C2CCCC2)C1 14744267 YEZIKEHPHUKPLC-JOCHJYFZSA-N 431.577 2.536 0 50 IFAA Cc1ccccc1C[C@]1(C2CCN(C(=O)C(C)C)CC2)NC(=O)N(CCCN(C)C)C1=O 14988727 IXGNAYCBZJMPJQ-RUZDIDTESA-N 442.604 2.674 0 50 IFAA O=c1c2c3c(sc2ncn1CCN1CCOCC1)C[C@@H](NCc1ccc(F)cc1)CC3 14990359 LCDCLFCGUMQTCK-SFHVURJKSA-N 442.560 2.576 0 50 IFAA CC(=O)N1CCN([C@H]2CCc3c(sc4ncn(Cc5ccc(C)cc5)c(=O)c34)C2)CC1 15006287 YVSDLTWNAHRSDP-IBGZPJMESA-N 436.581 2.836 0 50 IFAA CCOCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 16425904 VVZSIVUTYHYIFS-UHFFFAOYSA-N 434.558 2.737 0 50 IFAA O=C(c1nc2ccc(Cl)cn2c1CNCCN1CCC[C@H](O)C1)N1CCCCCCC1 19744423 ZQAMWYQFSVQPLQ-IBGZPJMESA-N 448.011 2.940 0 50 IFAA COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(Cl)cc4)ccc3=O)CC2)c1 71281170 NNXGYKVFDWPDME-UHFFFAOYSA-N 438.915 2.921 0 50 IFAA CSCC(=O)N1C[C@H]2CN(C(=O)c3scc4c3CCCC4)C[C@@]2(CCC(=O)O)C1 1772804068 FEDPUSHQCHTQTK-YCRPNKLZSA-N 436.599 2.755 0 50 IFAA COC(=O)c1cscc1CC(=O)N[C@@H](c1cn(-c2ccc(O)nc2)nn1)C(C)(C)C 1875357914 BNOMBQBYGMEOGD-SFHVURJKSA-N 429.502 2.662 0 50 IFAA O=C(NC[C@@H]1CC2(CC2)CN1C(=O)c1ccc(Cl)c(O)c1)c1cc2ncccn2n1 1875361428 RZRCHSWDSJROQQ-AWEZNQCLSA-N 425.876 2.513 0 50 IFAA O=C(Nc1cccc(Cn2cccnc2=O)c1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 2325735274 UQBUJOUWRSIRSE-LJQANCHMSA-N 437.887 2.872 0 50 IFAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 6229122 XGYLMRWAICENQS-UHFFFAOYSA-N 440.510 2.885 0 50 IFAA COc1ccccc1CCC(=O)N1CCCC[C@H]1CCn1cc(C(=O)NC(C)C)nn1 11870213 GZOBIDYNAPFFOU-IBGZPJMESA-N 427.549 2.829 0 50 IFAA COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)C(=O)c2ccco2)C1 12585069 JWAQVEQNJQXDRD-LJQANCHMSA-N 427.545 2.773 0 50 IFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc(Br)c1 19799683 USZCILXCAQKRRU-UHFFFAOYSA-N 440.367 2.624 0 50 IFAA COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4cccc(F)c4N4CCC[C@H]43)C2=O)cc1 229905118 SAIOMVGMCIZMNJ-YADARESESA-N 437.471 2.667 0 50 IFAA COc1ccc(CN[C@H]2CC[C@@H](n3cc(C(=O)NC(C)C)nn3)CC2)c(OC)c1OC 244678710 IIRXQMJUBHJGMX-CALCHBBNSA-N 431.537 2.716 0 50 IFAA Cn1nc(CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)c2ccccc2c1=O 299754380 FRVAKXNDVPTLIH-HUFIRRDGSA-N 432.568 2.898 0 50 IFAA biogenic O=C(C[C@@H]1CCCCCN1S(=O)(=O)c1cnc2nc(O)nc(O)c2c1)c1ccccc1 467086530 SJARJPYLIDRQSR-HNNXBMFYSA-N 442.497 2.642 0 50 IFAA CCc1nnc(-c2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)o1 482500133 AGNHFUWROUBYIQ-UHFFFAOYSA-N 440.525 2.782 0 50 IFAA COCCc1nsc(N2CC[C@](c3nc(-c4cccnc4)no3)(C(F)(F)F)C2)n1 952892536 HXYSUOODAUCOBJ-INIZCTEOSA-N 426.424 2.882 0 50 IFAA Cc1ccc(S(=O)(=O)c2nc(SCC(=O)N3CCOCC3)sc2Cl)cc1 1118454 BXULXMNRRLEOOL-UHFFFAOYSA-N 432.976 2.889 0 50 IFAA CN(CC(=O)Nc1ccc(I)cc1)S(=O)(=O)c1ccccc1 1142560 YTRQXFVPYIAFFP-UHFFFAOYSA-N 430.267 2.550 0 50 IFAA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(I)cc2)cc1 1165885 UQJJLYZUMGDDOR-UHFFFAOYSA-N 444.294 2.859 0 50 IFAA COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCCN3CCCC3)c(C)o2)cc1OC 4079705 HTZDZRCLILGQEB-WJOKGBTCSA-N 449.573 2.518 0 50 IFAA CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(=O)OC)cc2)N(CCc2ccccc2)C1=S 8916100 CNHDYFRBDBAJOQ-IBGZPJMESA-N 439.537 2.862 0 50 IFAA COc1cc(CNCCCc2ccccc2)ccc1OC[C@H](O)CN1CCC(O)CC1 11880035 SVMIDUTXLNTSKV-HSZRJFAPSA-N 428.573 2.614 0 50 IFAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)CCn2cncn2)CC1 11945167 WYOASAYYPGKFRW-HSZRJFAPSA-N 425.577 2.896 0 50 IFAA COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccn3)cc2)cc1OC 15919272 RGPZQDGUZYOPRU-UHFFFAOYSA-N 441.509 2.854 0 50 IFAA CCCC1=C(C(=O)OCC)[C@H](c2cc(OCC)c(OCC(N)=O)cc2Cl)NC(=O)N1 16362020 GOZZTSWBHFWXJD-SFHVURJKSA-N 439.896 2.574 0 50 IFAA Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(C)CC2)c(C)c1 19639104 DSXPMXBNBZFBAQ-UHFFFAOYSA-N 443.613 2.619 0 50 IFAA Cc1ccc(CN(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 19972708 WCSUMCJKOXWGGJ-UHFFFAOYSA-N 435.977 2.613 0 50 IFAA Cc1cccc(CN2CCC(N3CCC(C(=O)NCC[C@@H]4CCCN4C)CC3)CC2)n1 20905895 NCEUUANALUCZTM-QHCPKHFHSA-N 427.637 2.667 0 50 IFAA CCn1cnc2c(c1=O)CCN(CC(=O)Nc1cccc(CSc3ccccn3)c1)C2 170619491 DVDMASVPQZUZIV-UHFFFAOYSA-N 435.553 2.947 0 50 IFAA Cc1ccc(Cl)c(C(=O)N2CC3(CCOCC3)C[C@H]2CNC(=O)c2cnnc(O)c2)c1 1875359275 ZWKNXBHMRJQPCO-INIZCTEOSA-N 444.919 2.585 0 50 IFAA CC(C)(F)COc1ccc2c(c1)CCN(C(=O)Cn1nc(O)c3ccccc3c1=O)C2 2325864239 JRKCHNJPYJEBKN-UHFFFAOYSA-N 425.460 2.814 0 50 IFAA C[C@]1(c2ccccc2)CCCCN1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896009 OPHIMELVRUMALI-QFQXNSOFSA-N 445.519 2.989 0 50 IFAA O=C1N[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1c1ccc(Cl)cc1 2863463 SBQHAESPWJYUFS-HNNXBMFYSA-N 433.795 2.633 0 50 IFAA O=C(NCc1nnc2n1CCN(CC(c1ccccc1)c1ccccc1)CC2)[C@H]1CCOC1 12035523 XIYDTSXJSWISKU-QFIPXVFZSA-N 445.567 2.621 0 50 IFAA O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2F)CC1 16651163 ZJGOPKZYVGIYHN-UHFFFAOYSA-N 445.560 2.892 0 50 IFAA CCc1ccc(NC(=O)Cn2c(=O)c(-c3noc(CC)n3)c3n(c2=O)CCCCC3)cc1 169763950 YNOTYIZGHATJRG-UHFFFAOYSA-N 437.500 2.550 0 50 IFAA CC(C)(CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1 170603359 GTHDLVPWZDCVLD-UHFFFAOYSA-N 449.132 2.700 0 50 IFAA O=C(O)CCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 200541960 XILWQLKLNOGTLT-LJQANCHMSA-N 427.453 2.603 0 50 IFAA Cc1ccc([C@H]2COCCN2S(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)o1 480967580 YDAVGAFGWCKAGJ-CYBMUJFWSA-N 442.291 2.695 0 50 IFAA Cn1c(N2CCOCC2)nc2cc(C(=O)N3CCC[C@@H](OCc4ccccn4)C3)ccc21 952967446 JQRADCHPWVPYRM-HXUWFJFHSA-N 435.528 2.626 0 50 IFAA O=C(NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1cnc(O)c2ccccc12 1875261304 QFXARONHCPGJMQ-OAQYLSRUSA-N 433.464 2.501 0 50 IFAA Cc1cc(C(=O)N=S2(=O)CCC3(CC2)C[C@H](NC(=O)Cc2ccon2)CCO3)c(C)o1 2332238402 QUTTZXGUYPNOND-YPIFFHBRSA-N 449.529 2.563 0 50 IFAA O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697579 DFEZFKMFJRWQBU-UHFFFAOYSA-N 430.921 2.780 0 50 IFAA COc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc(C(F)(F)F)c2)CN=3)cc1OC 13810093 UQCZYQALKASKRW-NVMNQCDNSA-N 449.454 2.829 0 50 IFAA COc1cccc(CN2C[C@H](OCC3CC3)CN(C(=O)C(=O)c3ccccc3)CC2=O)c1 14538686 QENJDZWDYRVUAU-QFIPXVFZSA-N 436.508 2.544 0 50 IFAA Cc1ccc(CNC(=O)[C@@H]2C[C@H](CN3CCOCC3)CN(Cc3ccc(O)cc3)C2)cc1 14748321 GUOCMAYSLPHAAS-DNQXCXABSA-N 437.584 2.787 0 50 IFAA CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1 14944071 ODEGUFVMNIDHPZ-OAQYLSRUSA-N 439.487 2.751 0 50 IFAA Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(C(=O)[C@H](C)N2CCOCC2)C1 15000340 PXFXBEXFRKJKBC-RBUKOAKNSA-N 441.601 2.899 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(Cc2ccccc2)CC1 19200191 IBRFFNDHJRMRTK-UHFFFAOYSA-N 427.570 2.738 0 50 IFAA COc1ccc(CNCCc2cccc(Cl)c2)cc1OC[C@H](O)CN1CCN(C)CC1 20539447 KYICKYOTQGWMLK-JOCHJYFZSA-N 448.007 2.668 0 50 IFAA COCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)o1 20781588 QUOOFWWZHAAVTL-GOSISDBHSA-N 437.544 2.886 0 50 IFAA COc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1C 20912291 OXXJIJNEVKJWCE-UHFFFAOYSA-N 437.519 2.651 0 50 IFAA O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc(OC(F)(F)F)cc1 35395514 RLBCQERASQJODO-UHFFFAOYSA-N 449.476 2.592 0 50 IFAA Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)n1 67603884 DIHPMDKXPYCLCR-UHFFFAOYSA-N 430.940 2.938 0 50 IFAA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](OCc2csc(C)n2)C1 170599085 ZOACDGPORQIKFI-WIYYLYMNSA-N 426.542 2.798 0 50 IFAA O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCCc1cccs1)C2)c1ccncc1 299783369 YMRGOHRFCNQKMH-CYBMUJFWSA-N 426.523 2.956 0 50 IFAA CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCc1nc(-c2ccccc2F)cs1 426895132 RFWCOQZACGSSJC-CYBMUJFWSA-N 426.539 2.563 0 50 IFAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529092665 WWMPDKXEDHFRKZ-GCJKJVERSA-N 430.512 2.596 0 50 IFAA O=C(Nc1cccc(Cn2cccnc2=O)c1)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 2325735273 UQBUJOUWRSIRSE-IBGZPJMESA-N 437.887 2.872 0 50 IFAA C[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)NC12CC(N3CCCCC3=O)(C1)C2 2325828225 BHEJYMVTGCWDDM-BBZZWHHBSA-N 427.589 2.901 0 50 IFAA COc1ccccc1CN1C[C@@H](C(=O)N=c2[nH][nH]c3c(C(F)(F)F)cccc23)CC1=O 2356169726 XLPCFDIFOZWLPN-ZDUSSCGKSA-N 432.402 2.999 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccccc1 631301 KCOZDSHLHLSRLO-PHJXOXRPSA-N 434.517 2.807 0 50 IFAA O=C(c1nc2ccc(Cl)cn2c1CNC[C@H]1COCCO1)N1CCc2ccccc2C1 11664428 RXPHQEOTGKKDNM-IBGZPJMESA-N 440.931 2.691 0 50 IFAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)Cn1nc(C)cc1C 12039713 OQLDMLBKUJOHTR-UHFFFAOYSA-N 425.533 2.798 0 50 IFAA O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 100603504 HMOOHAJODBTTHZ-QHHCOUFXSA-N 429.472 2.831 0 50 IFAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5F)CC4)c3CO2)cc1 263617765 PNHXCJLYWGYTNS-OAQYLSRUSA-N 437.475 2.660 0 50 IFAA Cn1cc(C(=O)N2CC[C@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)nc1O 952895247 YNVKPDNMZMQEDM-KRWDZBQOSA-N 425.342 2.661 0 50 IFAA CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(C(F)(F)F)nn1C 1464127990 YUWFQVAAKPWMKY-LBPRGKRZSA-N 440.488 2.705 0 50 IFAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@H](N(C)C)C3)c2)C1 1875254424 RUAGMTMEFKYROU-XHSDSOJGSA-N 427.998 2.783 0 50 IFAA Cc1cc(=NC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nc(-c2ccncc2)[nH]1 1875257429 NBPOWMLWDZAUHB-OAQYLSRUSA-N 431.496 2.512 0 50 IFAA CS(=O)(=O)c1ccc(CCNC(=O)NC[C@@H](CO)Cc2c(F)cccc2Cl)cc1 1875261045 PRDLKLLWGXOTPK-HNNXBMFYSA-N 442.940 2.576 0 50 IFAA O=C(N[C@@H](CN1CCOCC1)C12CC3CC(CC(C3)C1)C2)c1nnc2ccccc2c1O 2325842990 OXECYTDKKGKNLM-ZNWBTVJYSA-N 436.556 2.982 0 50 IFAA COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)cc1OC 880042 QAPTVBHEUVKPIJ-UHFFFAOYSA-N 441.509 2.611 0 50 IFAA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cc[nH]n2)CCO3)C1 11911533 HONZXQLJRSHNPF-FQEVSTJZSA-N 425.577 2.885 0 50 IFAA O=C1CC[C@@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)CN1Cc1ccc(Cl)cc1 11934171 MVUCUHVKXWJKMV-GOSISDBHSA-N 425.916 2.954 0 50 IFAA CCN(CCN(C)C)C(=O)[C@H]1CC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C1 12282920 RGLDPCZVCALOCU-CQSZACIVSA-N 432.521 2.690 0 50 IFAA COc1ccc(-c2noc(C(=O)NCc3ccc(CN4CCOCC4)cc3)n2)cc1OC 12371366 GJLKVKSFIMSTCJ-UHFFFAOYSA-N 438.484 2.516 0 50 IFAA CCN(CC)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cnn(C)c2C)C3=O)CC1 14998630 UFKCFEBLYXVLKU-UHFFFAOYSA-N 437.544 2.610 0 50 IFAA COc1ccc(CN(C)Cc2ccc(C)cc2)cc1OC[C@@H](O)CN1CCN(C)CC1 19223823 FMFWUPFIOPZQMB-QHCPKHFHSA-N 427.589 2.623 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 20026863 SSXHSBALTRXSJL-UHFFFAOYSA-N 431.558 2.802 0 50 IFAA O=C(Cc1ccsc1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20992618 XNERPYSWOUIXNM-HXUWFJFHSA-N 427.570 2.828 0 50 IFAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1cc(COc2cncc(Cl)c2)on1 20992738 LMILGJDERGKHOK-HXUWFJFHSA-N 443.891 2.500 0 50 IFAA COc1cc(OC)c(NC(=O)[C@@H]2CCCN(c3ccc4nnc(C)n4n3)C2)cc1Cl 32101342 BBDMETHWTFAFEZ-CYBMUJFWSA-N 430.896 2.958 0 50 IFAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCc3cscn3)cc2Cl)CC1 39466867 YDDFDNGBQNZNEB-UHFFFAOYSA-N 443.978 2.572 0 50 IFAA O=C(NCc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 242302277 YRAAKJZIRSWGGY-INIZCTEOSA-N 429.325 2.699 0 50 IFAA COC(=O)c1cn([C@@H](CCSC)c2nc(-c3ccccc3F)no2)cc2c(=O)[nH]nc1-2 263588061 OPAQFUFMNIQODU-HNNXBMFYSA-N 443.460 2.994 0 50 IFAA Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)n2)n1 448199662 MVGOPTWTLRBXTC-CYBMUJFWSA-N 429.830 2.821 0 50 IFAA COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)NC[C@H](O)C(F)(F)F)C(=O)OC2 1857532218 TWWWRUAKAABLOO-AWEZNQCLSA-N 431.407 2.688 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)Cc1ccc(C)cc1)C2 1857702511 MBZGSTNGZWYMJX-TZBSWOFLSA-N 428.573 2.820 0 50 IFAA C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCOC2(CCS(=O)(=NC(=O)Cc3ccc(F)cc3)CC2)C1 2332238236 ITJJIESRIHZJCU-NDTBEWHBSA-N 436.549 2.847 0 50 IFAA Cc1cccc(Cn2c(SCC(=O)Nc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 637541 JTYSFJIZVRSLFH-UHFFFAOYSA-N 449.536 2.521 0 50 IFAA COc1cccc(C[C@@]2(CCC(=O)NCc3cnn(-c4ccccc4)n3)CCC(=O)N2)c1 11975201 GERRDOMRJSPATG-XMMPIXPASA-N 433.512 2.564 0 50 IFAA CCNS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1cc3ccccc3o1)C2 12185104 RMGRWDORBYUPED-UHFFFAOYSA-N 448.522 2.778 0 50 IFAA CC(=O)Nc1nnc(CCCCn2c(-c3nonc3NC(C)=O)nc3ccccc32)s1 12379564 QJHUNDFWENDULX-UHFFFAOYSA-N 440.489 2.878 0 50 IFAA CCOC(=O)c1nn(CCc2ccc(OC)cc2)c2c1CN(C(=O)c1cccnc1)CC2 14540792 LBHOCNUQUHPHJG-UHFFFAOYSA-N 434.496 2.905 0 50 IFAA Cc1csc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(F)cc3)n2C)n1 16474901 IIPHUVFMJFTILD-LLVKDONJSA-N 434.522 2.941 0 50 IFAA O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1c(F)cccc1F)CC2 20449355 AACUJDKFRSBAAU-UHFFFAOYSA-N 443.473 2.655 0 50 IFAA O=C(c1ccc(F)cc1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23359268 GTJHWDBIRDXEQZ-OAQYLSRUSA-N 425.504 2.977 0 50 IFAA COCc1nnc(-c2cccc(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)c2)o1 170613588 YGUQSDMSLMJTEC-OAQYLSRUSA-N 436.512 2.904 0 50 IFAA COCCNC(=O)[C@@H]1C[C@H](NC2Cc3ccccc3C2)CN1Cc1cccc(Cl)c1 299783727 XXOSRIWLEVKPOH-GOTSBHOMSA-N 427.976 2.803 0 50 IFAA Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc4ccccc42)C1=O)CC3 779032429 FAPCGRXUURHRCA-QUGAMOGWSA-N 442.519 2.843 0 50 IFAA Cn1cc(C(=O)N2CC[C@@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)nc1O 952895256 YNVKPDNMZMQEDM-QGZVFWFLSA-N 425.342 2.661 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1CCn2ccnc2C1 1875288158 PKPOPWUIBSOGIS-JKSUJKDBSA-N 428.500 2.554 0 50 IFAA C[C@H]1CC[C@H](S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 1875355021 XPTSDFWLWQLDQS-YOEHRIQHSA-N 444.395 2.524 0 50 IFAA CCOCCO[C@@H](C)C(=O)N[C@H](c1cn(-c2cnccc2C(=O)O)nn1)C1CCCCC1 1875356382 UVKVOUKPJMAAGL-YWZLYKJASA-N 445.520 2.540 0 50 IFAA O=C1N[C@@H](CSCc2ccccc2)C(=O)N2CCN(Cc3ccc(Cl)s3)C[C@H]12 14755003 IPOWEKFRNUVPKL-DLBZAZTESA-N 436.002 2.846 0 50 IFAA C[C@@H]1C[C@]2(C[C@@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1 16319864 FTZRUURQZZDBSC-TWOIEQCOSA-N 435.889 2.814 0 50 IFAA COc1cc(CN2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)cc(OC)c1 19771224 HSLFARILWHCVKR-FQEVSTJZSA-N 428.529 2.544 0 50 IFAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)nn2)nc1 72139308 VOTOQWOPLBMVMI-UHFFFAOYSA-N 446.483 2.713 0 50 IFAA C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 170599616 OUBGTUUQYNXPCG-GUDVDZBRSA-N 439.597 2.994 0 50 IFAA CCOC(=O)c1nc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)sc1C(C)=O 225529830 ZPCRPFKKCQQFOO-UHFFFAOYSA-N 434.499 2.568 0 50 IFAA CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=Cc4cc(C)ccc4N2[C@H]3C(C)=O)cc1 245256513 QFOXYBRIWZFRPC-MLCQCVOFSA-N 430.460 2.899 0 50 IFAA O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 247961782 XVFQESNBXYQSTJ-VTSJOCERSA-N 428.488 2.934 0 50 IFAA C[C@H]1[C@H](C)CCC[C@H]1N(Cc1ccc2c(c1)OCO2)C(=O)CCN1CCCS1(=O)=O 248170777 VXTORAWHPUQEOC-ZIFCJYIRSA-N 436.574 2.994 0 50 IFAA CN(C[C@@H]1CCCCN1C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O 299762059 RALZBRCSGHYPSD-NVQXNPDNSA-N 448.567 2.611 0 50 IFAA COc1ccc(-c2cc(=NC(=O)/C=C/c3ccccc3)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158301 FNWOGMJJWLTVCJ-NGFXTQEWSA-N 437.521 2.992 0 50 IFAA Cn1c(C(=O)N[C@@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)ccc1-c1ccccc1 670457524 QDCKBTNSKAVFMP-PYLWXJQRSA-N 426.564 2.990 0 50 IFAA Cc1nc(N2[C@H]3CC[C@@H]2C[C@]3(Cc2cscn2)C(=O)NCCCO)c2ccccc2n1 1704303659 AOXOFKNNHHWAGI-MONBJTKQSA-N 437.569 2.864 0 50 IFAA CC1(C)COc2c(CN3C[C@@H]4[C@H](CNS(C)(=O)=O)[C@H]5CC[C@]4(C3)O5)cc(Cl)cc21 1704337206 SROALWMAWMRQTG-NWUWZPLHSA-N 440.993 2.539 0 50 IFAA Cc1cnc(CN2C[C@@H]3CN(C(=O)CSCc4ccccc4Cl)C[C@]3(CO)C2)[nH]1 1772810194 IYALUQFUGSLLOE-UTKZUKDTSA-N 434.993 2.558 0 50 IFAA C[C@@H]1CN(C(=O)c2cccc(OCC(=O)N3CCCCC3)c2)CCN1c1ccc(F)cn1 1857677975 HIRMHEOEKRCDAW-GOSISDBHSA-N 440.519 2.963 0 50 IFAA COCCN=c1[nH]c(-c2ccccc2)nc2c1CCC21CCN(C2CCN(C)CC2)CC1 1857685761 SHERDTSRTCFECQ-UHFFFAOYSA-N 435.616 2.998 0 50 IFAA Cc1cccc([C@@H](CO)N2CCN(C(=O)c3ccc(=O)n(-c4cccc(F)c4)c3)CC2)c1 1875253756 BKMMHXURIWJQMD-HSZRJFAPSA-N 435.499 2.776 0 50 IFAA O=C(Cc1cccnc1)N1CC[C@H]([C@H]2CCCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)C2)C1 2325817955 JAWMAOYMMZBQOB-VXKWHMMOSA-N 444.539 2.810 0 50 IFAA O=C(COc1cc(Cl)cc(Cl)c1)N1C[C@@H](O)[C@H](NC(=O)[C@]23CCCC[C@@H]2C3)C1 2325832784 QUKYGQYPWRRBKA-HQNKDMIGSA-N 427.328 2.640 0 50 IFAA CO[C@@H]1CCC[C@H]1C(=O)N1CCC([S@@](C)(=O)=NC(=O)c2cnn(C(C)(C)C)c2)CC1 2332239184 ZQFWCGMDPULTFA-FMTUJPNVSA-N 438.594 2.682 0 50 IFAA Cn1c(=O)c2c(nc(N3CCc4ccccc4C3)n2Cc2ccccc2Cl)n(C)c1=O 1127268 VMSXYDIKSQZPGZ-UHFFFAOYSA-N 435.915 2.698 0 50 IFAA biogenic COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OC[C@@H](O)CN1CCC(O)CC1 11843281 QWEXUSHHOWMULO-GKWUYRECSA-N 444.616 2.950 0 50 IFAA CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccc4nsnc4c2)CC3)CC1 12030765 ZVOLUDXNKCZSIV-KRWDZBQOSA-N 443.573 2.594 0 50 IFAA Cc1noc(C)c1Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)o1 13641050 XEPPERXKBQIRRY-UHFFFAOYSA-N 429.498 2.622 0 50 IFAA COc1ccc(CN2C[C@@H](CN3CCCC3)C[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC 14742186 FPWJJEWNWZCBAM-VSKRKVRLSA-N 445.604 2.533 0 50 IFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc5c(c4)OCCO5)CC3)nc(C)n2)n1 35597330 QVGYGKOJBXPRIA-UHFFFAOYSA-N 449.515 2.713 0 50 IFAA CC(=O)Nc1cccc(NC(=O)C[C@H]2N=C(O)N(CCc3c[nH]c4ccccc34)C2=O)c1 252536322 IEBARXFLSNEUNV-HXUWFJFHSA-N 433.468 2.822 0 50 IFAA O=C1CCCc2cc(S(=O)(=O)NC(=O)Cc3ccccc3Br)ccc2N1 786995384 KRVZMSBNEKHRDR-UHFFFAOYSA-N 437.315 2.772 0 50 IFAA COc1cc2c(cc1OC)CN(C(=O)c1cccc(NC(=O)N3CCOCC3)c1)CC2 886024675 ZJHLQAMAFUQGOH-UHFFFAOYSA-N 425.485 2.766 0 50 IFAA COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)N3CCOCC3)no2)cc1OC 1775976057 NWXAFJZLRCBAHU-KRWDZBQOSA-N 427.457 2.755 0 50 IFAA COc1cccc([C@H](C)S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 2325819531 HUXXBPMTYFXKIE-JTDSTZFVSA-N 430.526 2.812 0 50 IFAA O=C(N[C@H]1Cc2ccc(Br)cc2NC1=O)[C@@H](O)Cc1c(F)cccc1Cl 2325860683 PQPXVHSTZIXHFM-HOTGVXAUSA-N 441.684 2.825 0 50 IFAA CC(=O)N[C@@H](NC(=S)Nc1sc2c(c1C(N)=O)CCCC2)C(Cl)(Cl)Cl 4177622 WUKZAOKSQYTOLH-LBPRGKRZSA-N 443.809 2.845 0 50 IFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCCc2ccc(OC)c(OC)c2)c1=O 12099141 CVUZXZOOHVNOOJ-UHFFFAOYSA-N 441.528 2.703 0 50 IFAA CC(=O)N1CCN(c2nc3cc(Cl)ccc3cc2CNCCCN2CCCC2=O)CC1 12281367 FGEGTLIWACULQN-UHFFFAOYSA-N 443.979 2.659 0 50 IFAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H](COc3ccc(F)cc3)C2)n1CCOC 12299710 VCPMGSFCPXAIBF-QGZVFWFLSA-N 439.553 2.753 0 50 IFAA COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)CCn3nc(C)cc3C)C1)CC2 12744800 XFEHQRIGLOVZED-NRFANRHFSA-N 426.561 2.957 0 50 IFAA O=C1N[C@@H](CSCc2ccccc2)C(=O)N2CCN(Cc3ccc4ncccc4c3)C[C@H]12 14534871 CHQAKAXFZKDFMQ-XZOQPEGZSA-N 446.576 2.679 0 50 IFAA COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CSC)C2)c1 14537375 ZMALQCXMJUVUAB-QFIPXVFZSA-N 442.581 2.857 0 50 IFAA O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(C(=O)Cc1cccs1)CC2 14540527 DVELZRANLVPCQX-UHFFFAOYSA-N 441.582 2.869 0 50 IFAA C[C@H]1CN(C(=O)c2ccc3c(c2)OCCO3)[C@H](C)CN1C(=O)c1ccc2c(c1)OCCO2 17102156 ZMXWDHVUZDHASS-IYBDPMFKSA-N 438.480 2.604 0 50 IFAA Cc1cc(C)c(CN2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)cc1C 20998435 QQEYYPHPOJLPQN-UHFFFAOYSA-N 433.556 2.957 0 50 IFAA CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccncc2)cn3C2CC2)CC1 32616683 WSMNQBLZLGQWPO-UHFFFAOYSA-N 449.486 2.791 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccn1)NCC(c1ccccc1)c1ccccc1 55228362 BKIZNUBHKTYDIC-DEOSSOPVSA-N 428.536 2.720 0 50 IFAA CCOC(=O)C1=C(CN2CCC(C(=O)C(F)(F)F)CC2)NC(=O)N[C@H]1c1ccc(C)o1 170599762 YEFDQJWHASGIGF-INIZCTEOSA-N 443.422 2.603 0 50 IFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NC1CCN(Cc2ccc(F)cc2)CC1 334162038 MMTLYGIOBQOSIZ-IRFCIJBXSA-N 434.581 2.632 0 50 IFAA COC(=O)CCCC(=O)N1CCC(n2nccc2NC(=O)[C@@H](OC)c2ccccc2)CC1 12455263 AEVITCLHXBUSMR-QFIPXVFZSA-N 442.516 2.716 0 50 IFAA CCOC(=O)COc1c(Cl)cc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 16361708 MQTCEPFFLDPPNK-INIZCTEOSA-N 442.921 2.646 0 50 IFAA COc1ccc(-c2noc(CN3CCN(Cc4ncccc4C)CC3)n2)c(OC)c1OC 20351634 XXIFTGISJXIXEV-UHFFFAOYSA-N 439.516 2.784 0 50 IFAA CCOc1ccc(-c2cn(C3CN(C(=O)c4cc(-n5ccnc5C)ccn4)C3)nn2)cc1 170593249 ORINOGFXVXKMNH-UHFFFAOYSA-N 429.484 2.930 0 50 IFAA CS(=O)(=O)c1nn(CC(=O)Nc2ccc(Br)cc2Cl)nc1C(F)F 253424506 HEEAFDKBYHGZAQ-UHFFFAOYSA-N 443.657 2.674 0 50 IFAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC(=O)Nc3ccccc32)C1=O 735801493 NKCFKAOMEPXBIY-RUZDIDTESA-N 442.475 2.982 0 50 IFAA CCCc1cnc(C)nc1N1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)OCC)C1 1857702630 FCHSMTXUZCFWEN-ZFGGDYGUSA-N 430.593 2.998 0 50 IFAA C[C@H](Cn1cc(-c2cncs2)nn1)NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 1875354945 UVKLDIAOBSSDDZ-DOMZBBRYSA-N 430.921 2.613 0 50 IFAA CCN(CCC(=O)Nc1sccc1C(N)=O)Cc1nc(O)c2ccc(Cl)cc2n1 2325724266 WHMMNKZUHSEDHC-UHFFFAOYSA-N 433.921 3.000 0 50 IFAA Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c(C)n[nH]c1C 2325727863 FFMOWYFSJQIOPK-HUUCEWRRSA-N 430.597 2.731 0 50 IFAA CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 4537232 VXEXZNQIPZLQBX-MOPGFXCFSA-N 430.526 2.847 0 50 IFAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NC[C@@H]2OCCc3ccccc32)c1=O 11783062 VPBWJWJKAWTRGF-QHCPKHFHSA-N 445.519 2.690 0 50 IFAA Cc1ccccc1[C@]1(CC(=O)N2CCCC[C@@H]2CO)CC(=O)N(Cc2ccccc2)C1=O 11909149 QYPRADZMHSPECT-RLWLMLJZSA-N 434.536 2.955 0 50 IFAA CN(C)S(=O)(=O)Nc1ccc(N2CCC(NCc3ccc4nsnc4c3)CC2)cc1 11912585 BYWSZQBMBYSPOK-UHFFFAOYSA-N 446.602 2.668 0 50 IFAA COc1ccc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)cc1 55061057 MWNIZJITOCYNEG-FQEVSTJZSA-N 433.911 2.537 0 50 IFAA CCOC(=O)[C@@H](NCC(=O)Nc1cc(C(=O)OC)ccc1C)c1ccc(OC)c(F)c1 170599685 DAMAIXFJXVQWND-FQEVSTJZSA-N 432.448 2.762 0 50 IFAA CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccccc1OCc1ccccc1F 253471004 JVJXIJAVHIVKPE-MRXNPFEDSA-N 441.459 2.534 0 50 IFAA COc1ccc(C(=O)CCC(=O)NC[C@H]2CCC3(CCN(C(=O)C4CC4)CC3)O2)cc1 299768470 VKVVLYAIFRITDK-HXUWFJFHSA-N 428.529 2.725 0 50 IFAA COC(=O)Nc1cc(NC(=O)C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)ccc1F 727617512 WSINOZNLQQDDRS-PBHICJAKSA-N 428.464 2.894 0 50 IFAA O=C(CCSc1nnc(-c2ccncc2)o1)N1CCC([C@@H](O)c2ccccn2)CC1 828599388 PTWWEMRBPRBNPB-LJQANCHMSA-N 425.514 2.981 0 50 IFAA O=C(N=c1cc(-c2ccn(Cc3ccccc3)n2)[nH][nH]1)Nc1ccc(-n2ccnn2)cc1 1875319944 ZMGKWOWMUMRLFO-UHFFFAOYSA-N 425.456 2.968 0 50 IFAA COC(=O)[C@H]1CCSC12CN(C(=O)N[C@H](C)c1csc(NC(=O)C(C)(C)C)n1)C2 1875345627 DKQRFAYICYPPCN-VXGBXAGGSA-N 440.591 2.879 0 50 IFAA O=C(N=[S@]1(=O)CCCN(C(=O)C[C@H]2CC[C@H](C3CC3)O2)CC1)c1cnn(C2CCC2)c1 2332238825 NKWDJZITMFMBNM-ISOMHIKHSA-N 448.589 2.796 0 50 IFAA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1I 2058345 HDQPWINJCHICLO-HNNXBMFYSA-N 444.269 2.841 0 50 IFAA Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1OCC(=O)NC1CCCCC1 13153241 DMORMVRLLXPVOL-INIZCTEOSA-N 444.981 2.933 0 50 IFAA COc1cccc(CNCC[C@@H]2CCC(=O)N2C[C@H](O)COc2cccc(OC)c2)c1 15003531 ZAIQXDPEGUBARO-PMACEKPBSA-N 428.529 2.614 0 50 IFAA Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1 19637585 CFICMNODEGLCGX-UHFFFAOYSA-N 442.990 2.960 0 50 IFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 110685189 VESPKESDBHDBOL-MRXNPFEDSA-N 426.542 2.899 0 50 IFAA CC(=O)O[C@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@]1(C)[C@@H]3CC[C@H]1C1=CC(=O)OC1 257349865 RXXZRNNOAJTUSW-UJJXKLMESA-N 446.540 2.626 0 50 IFAA CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CN1CCC[C@@H](C(N)=O)C1 299765657 BLJVTJXXRAGLNY-CQSZACIVSA-N 441.919 2.948 0 50 IFAA Cc1ccc([C@H](NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccn2)cc1 472036592 YKLVAEUNYRLZDR-FQFSJJOFSA-N 430.508 2.586 0 50 IFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCN(Cc2ccc(F)cc2)C(=O)C1 1506419144 YJAPUGWTQPPZOC-UHFFFAOYSA-N 435.502 2.884 0 50 IFAA NC(=O)C[C@@H]1CCCN1CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 1875259608 GIYXHFQQICQTDI-QFIPXVFZSA-N 431.540 2.554 0 50 IFAA CC(C)CN1C[C@@H]2CN(C(=O)c3sc4ccccc4c3C[S@@](C)=O)CCN2C1=O 1875263206 CMEZMNOVXWCQES-PEGYKEAPSA-N 433.599 2.998 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1CCn2ccnc2C1 1875288155 PKPOPWUIBSOGIS-CVEARBPZSA-N 428.500 2.554 0 50 IFAA COc1ccnc(Nc2ccc(C(=O)NC[C@H]3C[C@@H](O)CN3Cc3ccccc3)cc2)n1 1875350058 YZSGIIQUVCTTSU-NHCUHLMSSA-N 433.512 2.594 0 50 IFAA O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(SCC(=O)c2ccccc2)s1 2866197 RGMLPHDEDKUCMA-UHFFFAOYSA-N 437.506 2.862 0 50 IFAA CN(Cc1cnccn1)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12 11819818 FOUBSHMQZNZCFG-UHFFFAOYSA-N 447.587 2.847 0 50 IFAA C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 12380425 YMINRELBLAEXJF-KRWDZBQOSA-N 435.977 2.839 0 50 IFAA CCCN1C=NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc21 15867536 BDERYOFWKZGOBP-UHFFFAOYSA-N 430.505 2.735 0 50 IFAA CCOC(=O)Cc1csc(NC(=O)CSc2nnc(Cc3cccs3)n2C)n1 17101588 ABTRTVBGLMIOKO-UHFFFAOYSA-N 437.572 2.760 0 50 IFAA C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 20994610 ZDTBWLNZRHIYHP-INIZCTEOSA-N 441.482 2.871 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccn3)c(=O)n2[C@@H]1c1ccccc1Cl 32625314 QBTITTZUJCLZRL-XYSGSMRZSA-N 439.924 2.847 0 50 IFAA CS(=O)(=O)c1cccc([C@@H](NC(=O)C2CCC(NC(N)=O)CC2)c2ccc(F)cc2)c1 1875260828 FDINMAQUDCWEQW-UPQHMETBSA-N 447.532 2.662 0 50 IFAA O=C(C1CCC(n2cc(-c3cn4ccccc4n3)nn2)CC1)N1CC[C@]2(C1)OC[C@H]1C[C@H]12 1875357192 WMBPHZZJSDXWGB-NNGRDNIQSA-N 432.528 2.962 0 50 IFAA CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 1144837 KWVDNWBHBLAMOB-UHFFFAOYSA-N 440.319 2.812 0 50 IFAA CCOC(=O)c1c(NC(=O)Cn2cc(I)cn2)sc2c1CCC2 1432983 XTMZXBJGMGHZKD-UHFFFAOYSA-N 445.282 2.853 0 50 IFAA Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1 2865366 BEBCLAQRIJCXOK-QGZVFWFLSA-N 427.526 2.771 0 50 IFAA COC(=O)[C@@H](NC(=O)[C@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1)c1ccccc1 12097697 NWEVJJWLNXIZMB-PBHICJAKSA-N 441.509 2.657 0 50 IFAA Cc1n[nH]c(CCNC(=O)[C@@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)n1 12315122 XQUMOFMLCZMTNK-GOSISDBHSA-N 431.544 2.634 0 50 IFAA CN(C(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)C1CCOCC1 12582630 HLZWZSCPUHAHRU-DEOSSOPVSA-N 435.568 2.646 0 50 IFAA COCCn1c(CN(C)[C@H](C)c2nc(C)sc2C)cnc1S(=O)(=O)CC1CC1 15064923 RNXUCMCORMMTTG-CYBMUJFWSA-N 426.608 2.980 0 50 IFAA COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2c(F)cccc2Cl)CC3)o1 20599328 LZRRHHSSNDGPQB-UHFFFAOYSA-N 447.898 2.798 0 50 IFAA Cc1c(Cl)c(NC(=O)c2ccn([C@@H](C)C(=O)Nc3nn(C)c(C)c3Cl)n2)nn1C 20617535 GKAJMLXKCZOUHE-JTQLQIEISA-N 439.307 2.726 0 50 IFAA Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nn2)n1 21774205 JUOVADJNKAJKND-UHFFFAOYSA-N 448.552 2.943 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccncc3)C[C@@H]2CCC(=O)O)CC1 299785969 PDJWYPXYSIWUII-FCHUYYIVSA-N 438.572 2.968 0 50 IFAA Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)[C@@H](C)n3cncn3)cc2)cc1 2325726054 BVYXOQLRBIBWEU-DLBZAZTESA-N 427.530 2.791 0 50 IFAA C[C@@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(-c3nc4c5cnn(C)c5ncn4n3)cc2N1 2802915 IWCFUHRISADRMF-XCBNKYQSSA-N 427.341 2.817 0 50 IFAA COc1ccc(C(=O)N2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1 4844688 WRSZLMIOELLVGV-UHFFFAOYSA-N 426.513 2.924 0 50 IFAA CN(Cc1nc2ccccc2[nH]1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 11935320 VDZOCCWLAJTRIL-GOSISDBHSA-N 443.573 2.754 0 50 IFAA CC(C)CN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(Cc3cnn(C)c3)CC2)C1=O 11982478 SJQLEDMYYGFUJH-DEOSSOPVSA-N 441.551 2.961 0 50 IFAA COCC(=O)Nc1cnn(-c2cccc(C(=O)NCCN3CCCc4ccccc43)c2)c1 12149024 LXYWAEMKSWLBNW-UHFFFAOYSA-N 433.512 2.640 0 50 IFAA Cc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)NC[C@@H]4COCCO4)cc3)c2)c(C)c1 12150475 GAUFWFSIFBDUHG-OAQYLSRUSA-N 434.496 2.887 0 50 IFAA COc1cc(CN2CCC(CCNC(C)=O)CC2)ccc1OC[C@@H](O)CN(C)C(C)C 12298695 CPCCQHKRKCDYOA-QFIPXVFZSA-N 435.609 2.513 0 50 IFAA CCN(CC)[C@@H]1CCN(C(=O)c2cn(CC(C)C)cc(C(=O)NCCC(C)C)c2=O)C1 14963980 NPIGOLMYJOXHAR-LJQANCHMSA-N 432.609 2.837 0 50 IFAA COc1cccc(NC(=O)CN(C(C)=O)S(=O)(=O)c2ccc(Br)cc2)c1 170597158 ZQBMXZJGPOMASA-UHFFFAOYSA-N 441.303 2.634 0 50 IFAA Cc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)cc1S(N)(=O)=O 463467337 VISCCYUYSWLONE-ZDUSSCGKSA-N 431.543 2.502 0 50 IFAA CC(C)c1nnc(N2C[C@H](C(=O)NCc3cnn(-c4ccc(F)cc4)c3)CC2=O)s1 1857701026 OAFJREJXUAFFDC-CQSZACIVSA-N 428.493 2.656 0 50 IFAA COc1cc(OC)c2cc(C(=O)N3C[C@@H](C[C@H]4COCC(=O)N4)c4ccccc43)[nH]c2c1 2325826705 JYWUOZLCVAHLSH-CABCVRRESA-N 435.480 2.834 0 50 IFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)[C@@H]4CCCCN4)C3)[C@@H]3CCCC(=O)N23)c1 2356155775 MJRBIXZKGZKJMI-RNTGTLJKSA-N 425.573 2.608 0 50 IFAA Cc1cc(CN(C)C(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)on1 11753632 LRTKWLXBNCDXTK-UHFFFAOYSA-N 441.937 2.711 0 50 IFAA COC(=O)c1cc(CNC(=O)c2cccnc2)cc(NS(=O)(=O)c2cccs2)c1 11790093 ORPKJKHXLPDDFM-UHFFFAOYSA-N 431.495 2.661 0 50 IFAA O=C(O)/C=C/C(=O)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 19797544 NUFHZMLAVMQAAW-ZGKFYVQTSA-N 426.856 2.684 0 50 IFAA COC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)cc1 101547595 WCRQSCXWTPREOC-AMUINCDKSA-N 432.476 2.837 0 50 IFAA CCOC(=O)[C@@H](Cc1ccccc1)N(C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 170623615 ONIJQSYBOHYJHV-HSZRJFAPSA-N 439.556 2.564 0 50 IFAA C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)N1CCCCCC1 245256104 NSCTWIWQFBGWJF-UFYCRDLUSA-N 449.617 2.679 0 50 IFAA O=C(Nc1cccc(Oc2ccccc2)c1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 253425158 PYXDWHQVXFOADC-UHFFFAOYSA-N 427.486 2.740 0 50 IFAA CC[C@H]1CCc2nc(NC(=O)C(=O)N3CCN([C@@H](C)c4cccnc4)CC3)sc2C1 434598672 VISAOYJXLRKUEA-HOTGVXAUSA-N 427.574 2.897 0 50 IFAA CC(C)(CS(=O)(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C(F)F 1857527540 IMAMVODKFYRKQM-GFCCVEGCSA-N 430.395 2.901 0 50 IFAA O=C(Nc1cccc(N2CCO[C@@H](CO)C2)c1)c1nn(-c2ccccc2F)c2c1CCC2 1875252172 UYQMRGZCWZLRRU-GOSISDBHSA-N 436.487 2.950 0 50 IFAA COC(=O)[C@H](CNC(=O)[C@H](O)c1ccccc1I)CC1CCCC1 2325823249 LITLIWJPPCYRCD-XJKSGUPXSA-N 445.297 2.810 0 50 IFAA COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(C)c2)cc1OC 1430539 WQXCOMQFJKULFM-UHFFFAOYSA-N 445.479 2.668 0 50 IFAA O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 11698037 SKPPODISFVNGLH-UHFFFAOYSA-N 430.921 2.780 0 50 IFAA CSc1nc(C(=O)NC[C@H]2CCC3(CCN(C(=O)c4ccccn4)CC3)O2)cs1 11881845 KQFVOVLCUDZSFK-CQSZACIVSA-N 432.571 2.844 0 50 IFAA CCOC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccc(C)cc3)oc1C)c(=O)n2C 12410772 SKMKYRCXRXANHI-UHFFFAOYSA-N 448.479 2.900 0 50 IFAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc(=O)n(C)n2)CC1 12597502 WTAAKNYQSGDSDQ-JOCHJYFZSA-N 438.572 2.622 0 50 IFAA COc1ccc(CCN2C[C@@H](C(=O)N3CCC(O)(c4ccccc4)CC3)CCC2=O)cc1 15063641 TUQRYJWSNCZJCS-NRFANRHFSA-N 436.552 2.987 0 50 IFAA O=C1N[C@@H]2CCCC[C@@H]2N[C@H]1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 35895157 CXEOPBGOOGVGNI-VXNXHJTFSA-N 446.595 2.710 0 50 IFAA COc1ccc(CCNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)cc1OC 263617067 LXJJEXMHYUGQJJ-FQEVSTJZSA-N 426.448 2.678 0 50 IFAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(c5ccc(C)cc5)CC4)c3CO2)cc1 263617436 NUMZDYDQVQNGQD-JOCHJYFZSA-N 433.512 2.829 0 50 IFAA O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)N[C@H]1C[C@H](c2cccc(F)c2)C1 438242435 BQLAMGZPCYUUEL-KESTWPANSA-N 425.508 2.505 0 50 IFAA C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[C@@H]1OCCc2sccc21 817052044 UOYNPMUCXVBODC-HUOQQOJOSA-N 430.526 2.639 0 50 IFAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(C(=O)c2ccc3c(c2)CCO3)CCCN1 1875241846 JILILLLEPDYZDV-FQEVSTJZSA-N 449.551 2.654 0 50 IFAA CC(C)[C@H]1c2ccccc2CCN1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896381 XKRINYDQVIHZNC-GGAORHGYSA-N 445.519 2.843 0 50 IFAA CCOC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OCC)C1c1ccc2c(c1)OCO2 1065946 NCFACNGGPDBOMC-MRXNPFEDSA-N 429.469 2.888 0 50 IFAA Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCOCC2)c(C)c1 1114445 NYTYACIWVMJXNW-UHFFFAOYSA-N 430.570 2.704 0 50 IFAA CC(=O)c1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nc(=S)n(-c2ccccc2)c1C 1444206 JLTUVXRREGKHGO-GOSISDBHSA-N 426.542 2.940 0 50 IFAA Cc1nc(N2CCC(C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)nc2ccc(C(C)C)cc12 12051560 NVIMNNWLTOLIBK-QGZVFWFLSA-N 444.601 2.829 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3ccccc3F)cc2OC)CC1 20452850 SEJNYRYHFKKOGN-OAQYLSRUSA-N 431.552 2.501 0 50 IFAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55341069 YABZEWCYGYNPJJ-QFIPXVFZSA-N 427.568 2.922 0 50 IFAA COc1cc(OC)cc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@@H]2CCS(=O)(=O)C2)c1 334158006 HRZYHCIBDCVRAD-QGZVFWFLSA-N 441.509 2.601 0 50 IFAA C[C@]1(c2cccc(Br)c2)NC(=O)N(c2ccc3c(c2)S(=O)(=O)CC3)C1=O 772079603 MUKPBCQJODXKEW-GOSISDBHSA-N 435.299 2.751 0 50 IFAA Cc1noc(CN2CC3(CCN(C(=O)c4c(F)cccc4Cl)CC3)OCCC2=O)n1 1704327468 FNYJVVYDSSZWFG-UHFFFAOYSA-N 436.871 2.594 0 50 IFAA C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)Nc2ccccc2)C1)c1cn(-c2ccccc2)nn1 1875261725 DEZVIDUYMJWFAL-RTBURBONSA-N 432.528 2.795 0 50 IFAA Cc1cc(C(=O)N(C)C2CCN(CC(=O)N3CCCC3)CC2)nn1-c1c(F)cccc1F 2325738788 SDQSIORFHMDCEL-UHFFFAOYSA-N 445.514 2.618 0 50 IFAA CC(C)(C)c1nocc1CNS(=O)(=O)c1cc2c(cc1Br)OCCO2 2325825496 RUFKAKVNEZWJAR-UHFFFAOYSA-N 431.308 2.984 0 50 IFAA Cc1c(C(=O)NC2C[C@H]3CN(C(=O)c4cn5ccnc5s4)C[C@@H]3C2)sc2cncn12 2325876336 RIKICVIOYCDGOD-STQMWFEESA-N 440.554 2.694 0 50 IFAA COc1ccc(CCN(C)[C@H]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1OC 14733179 GBWPIOVMDBDNGT-SFHVURJKSA-N 426.561 2.705 0 50 IFAA O=c1c2c3c(sc2ncn1CCN1CCOCC1)C[C@@H](NCc1ccccc1F)CC3 14985625 GMXQRPLBINJBKE-KRWDZBQOSA-N 442.560 2.576 0 50 IFAA Cc1cc(C)cc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1 15000884 ZSZILEPDVAVCJX-IRLDBZIGSA-N 425.577 2.803 0 50 IFAA CCc1ccc(OC[C@@H](O)CN2CCN(C[C@@H](O)COc3ccc(CC)cc3)CC2)cc1 22942674 BOLVXGMIEUNXPG-PSWAGMNNSA-N 442.600 2.609 0 50 IFAA Cc1nc(-c2c3n(c(=O)n(Cc4ccc(Br)cc4)c2=O)CCCCC3)no1 169780189 AWVJQCOOINJWTA-UHFFFAOYSA-N 431.290 2.906 0 50 IFAA CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N(C)C1CCCCC1 465145553 LDUMZVKDPAYCLB-OAQYLSRUSA-N 426.561 2.759 0 50 IFAA O=C(C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819831 RIRRHQWHGLKWEI-GOSISDBHSA-N 443.906 2.780 0 50 IFAA COCc1ccoc1C(=O)N=[S@](C)(=O)C1CCN(C(=O)c2cccn3nccc23)CC1 2332239101 WTFSHRUDPRNBGF-WJOKGBTCSA-N 444.513 2.617 0 50 IFAA CCOc1ccc(-n2c(-c3cccc(OC)c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9126718 VSSGBPGXXSRTGW-UHFFFAOYSA-N 445.479 2.750 0 50 IFAA NS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CCCN(CCc4ccccc4)C3)C2)cc1 11710845 PUUJWFIBJVMXJM-QHCPKHFHSA-N 427.570 2.505 0 50 IFAA CSc1ccccc1N1C(=O)CN(C(=O)Cc2ccc(N3CCNC3=O)cc2)C[C@H]1C 12204999 QKKCQLCMFVVTAL-MRXNPFEDSA-N 438.553 2.745 0 50 IFAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)[C@H]1Cc3ccccc3O1)CC2 14742916 JSNCJYAGJUPNRK-JOCHJYFZSA-N 430.508 2.522 0 50 IFAA COc1ccc(CN2CC[C@@H](N3CCN(CCc4ccccc4)CC3)[C@H](O)C2)c(F)c1 20256349 LICCOPNVBHLYRO-JWQCQUIFSA-N 427.564 2.630 0 50 IFAA Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)s1 20600674 JCWJBFIFIDTAIE-KRWDZBQOSA-N 425.558 2.963 0 50 IFAA Cc1ccc(OC[C@@H](O)CN2CCN(C[C@H](O)COc3ccc(C)c(C)c3)CC2)cc1C 22942686 IBBXPASVZXULQY-ZEQRLZLVSA-N 442.600 2.717 0 50 IFAA O=C(O)c1cc2c(s1)CCOC21CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 1857683552 JHPQDJZQBDFUEP-INIZCTEOSA-N 426.494 2.712 0 50 IFAA COc1cc(-c2cn(-c3ccc(Cl)nc3)nn2)ccc1C(=O)N(CC(=O)O)C1CC1 1875353737 FEDXGTKMXVVKQR-UHFFFAOYSA-N 427.848 2.681 0 50 IFAA COC(=O)c1ccc(Br)c(S(=O)(=O)NCc2conc2C(C)(C)C)c1 2325825032 APOQLDDXRVJKCX-UHFFFAOYSA-N 431.308 3.000 0 50 IFAA O=C(c1cccc(N2CCCC2=O)c1)N1CC[C@H]2[C@H](CCC(=O)N2CCCn2ccnc2)C1 12027546 SZADSJGCPIWMRG-IRLDBZIGSA-N 449.555 2.553 0 50 IFAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(Br)cc1 13154658 NTNFVQUAJMSDFP-JEWRLFTDSA-N 427.291 2.615 0 50 IFAA Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)CN1CCC(c3ccccc3)CC1)C2 14539478 HFQFFKSQBMPRDZ-UHFFFAOYSA-N 449.599 2.857 0 50 IFAA CN(CCn1cccn1)Cc1cc2cc3c(cc2n(CCN2CCCCC2)c1=O)OCO3 14991900 RIMVKVDGLNLIQN-UHFFFAOYSA-N 437.544 2.545 0 50 IFAA Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c(C)c1 15671252 VLRGNBVBCDSIBY-UHFFFAOYSA-N 429.590 2.821 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 100570340 VYCBPIJLGXTPRF-FQEVSTJZSA-N 441.915 2.971 0 50 IFAA COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@@H](c1ccccc1)N1CCCC1 110689397 VYCAJIJMOZKVLR-OAQYLSRUSA-N 429.542 2.912 0 50 IFAA O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 239165040 NIYLGXYPKDADMD-SYNMBVLASA-N 447.462 2.970 0 50 IFAA COc1ccccc1CN1C(=O)[C@@H](CCC(=O)NCCn2ccc3ccccc32)N=C1O 252482193 DAHYSDHFGHGTHW-LJQANCHMSA-N 434.496 2.871 0 50 IFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 263585425 IJUXQFRPWFPVRR-ZPFZUWPUSA-N 427.589 2.946 0 50 IFAA biogenic CCC[C@]1(C2CCN(Cc3ccc(CO)o3)CC2)NC(=O)N(CCc2ccccn2)C1=O 299764374 SAYZNTJVLFTHCP-XMMPIXPASA-N 440.544 2.712 0 50 IFAA Cc1cccc2c1CN(S(=O)(=O)c1ccsc1C(=O)NC[C@H]1CCCCN1)CC2 1857532558 HFNSLCXMXNHDPJ-QGZVFWFLSA-N 433.599 2.675 0 50 IFAA Cc1noc([C@H]2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)C2)n1 1857799206 RABCJVYKCKBMKE-HNNXBMFYSA-N 430.461 2.948 0 50 IFAA Cn1cnnc1C1CCN(C(=O)CCCCCCCn2cc(C(C)(C)C(=O)O)nn2)CC1 1875355193 COIRQBKDEQKFPB-UHFFFAOYSA-N 445.568 2.516 0 50 IFAA O=C(N=[S@]1(=O)CCCN(C(=O)CCn2cccn2)CC1)C1CCC(C(F)(F)F)CC1 2332238340 MNQZUTWDIWLDHT-FESHTSHKSA-N 448.511 2.869 0 50 IFAA CN(Cc1nnc(SCC(=O)c2ccc(F)cc2)n1C)S(=O)(=O)c1ccccc1 1141261 YWLMICQDDKQUSQ-UHFFFAOYSA-N 434.518 2.750 0 50 IFAA COC(=O)COc1ccc(NC(=O)COc2ccc(I)cc2)cc1 2874731 GQACYVSTXQFTQD-UHFFFAOYSA-N 441.221 2.861 0 50 IFAA COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C(=O)c1ccccc1C)CC2 12098516 WSDKUCYDISMYKD-UHFFFAOYSA-N 447.491 2.616 0 50 IFAA COc1ccc(CN(C)Cc2nnc(C)o2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12588144 LMFZCJNTIZKKBH-OAQYLSRUSA-N 440.544 2.890 0 50 IFAA Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 13583101 VSOHOXJZLLSELR-UHFFFAOYSA-N 427.570 2.738 0 50 IFAA COC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 14747031 MGKDKRXIEXDZKB-FQEVSTJZSA-N 436.556 2.958 0 50 IFAA CC1=C(C(=O)N2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)OCCO1 14978580 WHHDSOSBXNHAIV-UHFFFAOYSA-N 428.514 2.969 0 50 IFAA CCCN1C(=O)/C(=c2\sc3nc(-c4ccc(OCC)cc4)nn3c2=O)c2ccccc21 16805304 LZJSUFFEQZHNLY-HNENSFHCSA-N 432.505 2.891 0 50 IFAA CCc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc4c(c3)OCO4)CC2)cc1 17098517 MAHPDVRKQPWXLJ-UHFFFAOYSA-N 433.555 2.681 0 50 IFAA Cc1c(I)c(=O)[nH]c(=O)n1Cc1c(F)cccc1C(F)(F)F 35653305 TZBUKGISILNJCR-UHFFFAOYSA-N 428.123 2.656 0 50 IFAA in-vitro CCc1nnc(SCC(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)o1 55310106 JHDMSSUAWNMINF-GOSISDBHSA-N 429.590 2.846 0 50 IFAA CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc23)c1 1309670625 JGLBEROJFOYVBG-GOSISDBHSA-N 439.942 2.909 0 50 IFAA NC(=O)CNC(=O)Nc1cccc(NC(=O)c2cc3sc(Br)cc3[nH]2)c1 1875320746 WYFOUGMZRMUOJY-UHFFFAOYSA-N 436.291 2.851 0 50 IFAA O=C(Cc1cccnc1)N1CC[C@@H]([C@H]2CCCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)C2)C1 2325817953 JAWMAOYMMZBQOB-FCHUYYIVSA-N 444.539 2.810 0 50 IFAA Cc1nccc2c(S(=O)(=O)NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cccc12 2325819512 HPURNXSTQDAYSV-AEFFLSMTSA-N 437.521 2.958 0 50 IFAA Cc1ccc(-n2nnnc2SCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C 1126834 GORBDCQUDGBBIL-UHFFFAOYSA-N 426.521 2.859 0 50 IFAA CCOc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)noc2C)cc1 6577303 LUPAZAFRDZAWAD-UHFFFAOYSA-N 436.515 2.981 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCCCn1cccn1 11814767 AVVATOINNAYQNT-QHCPKHFHSA-N 447.539 2.572 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CN3CCc4ccccc4C3)cc2OC)CC1 20363613 UFSDDDXYPSTTHO-XMMPIXPASA-N 439.600 2.631 0 50 IFAA Cn1ccnc1CN1CCN(C(=O)CN2Cc3ccccc3O[C@@H](c3ccccc3)C2)CC1 23128989 OTNXUXNIJSXGLB-XMMPIXPASA-N 445.567 2.700 0 50 IFAA COCCNC(=O)[C@@H]1C[C@H](NCc2cccc(OC)c2)CN1Cc1ccc(Cl)cc1 32541168 FKFPXODAOJSAQP-UNMCSNQZSA-N 431.964 2.844 0 50 IFAA COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3N3CCCN23)cc1 101863763 ALKCFVQKXGUQPN-GUDVDZBRSA-N 442.313 2.993 0 50 IFAA CCOc1ccccc1C=c1sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OC)=C(C)N=2 254845209 JVLBSOGCQNTBQF-LJQANCHMSA-N 440.546 2.868 0 50 IFAA O=C(CC1CCCC1)N1CCN(Cc2nnn3c2CO[C@H](c2cccc(F)c2)C3)CC1 263616283 HWXWGKQSECHYEY-QFIPXVFZSA-N 427.524 2.913 0 50 IFAA Cc1cc(C)nc(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 334160816 MXKRWDIHDODKDL-IBGZPJMESA-N 442.566 2.891 0 50 IFAA COc1ccc(NC(=O)CC2(n3cccc3)CCOCC2)cc1N1CCCCS1(=O)=O 409414489 SMASVLOVPRNVLO-UHFFFAOYSA-N 447.557 2.961 0 50 IFAA CC(C)Sc1nnc(NC(=O)C[C@H]2COc3ccc(C(=O)N(C)C)cc3N2C)s1 1506408323 XHOXNCYWEUSBHU-ZDUSSCGKSA-N 435.575 2.966 0 50 IFAA Cn1nccc1CCC(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857702984 LBIKMUAUUYILER-JOCHJYFZSA-N 438.572 2.978 0 50 IFAA CC[C@@H]1C[C@H](CC(=O)N=[S@@]2(=O)CCCN(C(=O)c3cc(Cl)n(C)n3)CC2)CCO1 2332238431 VABSDCZWHIDLDZ-MJSDIWTKSA-N 444.985 2.509 0 50 IFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc(Br)c1O 4113596 DDFHHBJHPJDSKX-OAHLLOKOSA-N 443.294 2.759 0 50 IFAA biogenic,in-vitro COCCc1ccc(-n2c(-c3ccc(C)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 12461994 FZKJXDQYGJDNDW-UHFFFAOYSA-N 443.507 2.840 0 50 IFAA COc1cccc(CN[C@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c1OC 14740795 PDXDYMJDGDVPRA-KRWDZBQOSA-N 438.528 2.950 0 50 IFAA COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)N4CC[C@@H](N(C)C)C4)c3C)nc1-2 14951574 ZDWAFSVEEUPJOH-GOSISDBHSA-N 432.528 2.521 0 50 IFAA Cn1ccnc1SCCNC1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1 14993965 FEJASQQKCAHOFD-UHFFFAOYSA-N 437.573 2.813 0 50 IFAA CCC[C@@]1(C2CCN(C(=O)c3ccoc3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 15007326 UYAIGIUKVULALP-CVDCTZTESA-N 430.549 2.707 0 50 IFAA CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(S(=O)(=O)c2c(C)nn(C)c2Cl)C1 15070067 CNMOOTOEQRAOAL-HXUWFJFHSA-N 439.965 2.959 0 50 IFAA COc1ccc(/C=C2\SC(=N)NC2=O)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 15277334 CFVTUIUBHDHEKD-YVLHZVERSA-N 447.494 2.560 0 50 IFAA Cc1ccc(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)cc1N1CCCS1(=O)=O 170636766 XQPVMSXXYVKQIW-LJQANCHMSA-N 435.452 2.945 0 50 IFAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)OCC(=O)c1ccc(Cl)cc1Cl 239274650 AMXSMFQLGWWOJK-FYABNWFJSA-N 434.275 2.772 0 50 IFAA c1ccc(N2CCN(Cc3ccncc3CN3CCN(c4ccccn4)CC3)CC2)nc1 242178850 XBKUVPCCKHYNDN-UHFFFAOYSA-N 429.572 2.516 0 50 IFAA O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H](c1ccccc1)N1CCc2ccccc21 446329202 GCCMANBCTLDTHI-WFYLZJEKSA-N 441.531 2.714 0 50 IFAA Cc1ccc(N2CCN(C(=O)N[C@@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)CC2=O)cc1 807092904 YIHLJOPBIYZEFK-LJQANCHMSA-N 448.502 2.766 0 50 IFAA CC(C)(C)OC(=O)N1CC2(CCC2)CC[C@H]1C(=O)N1CCC[C@H](c2cc(C(N)=O)n[nH]2)C1 1875325646 RFWLJHKZQUBDEX-YJBOKZPZSA-N 445.564 2.784 0 50 IFAA CC(=O)N1CCN(c2cc(N3CCN(C(C)=O)C(C)(C)C3)nc(C(C)(C)C)n2)CC1(C)C 2325724052 IDIYIVDOSIBPLC-UHFFFAOYSA-N 444.624 2.668 0 50 IFAA CC1(COC(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)CC2(CCC2)C1 2325900946 OPNNMWDHEMJQAS-GOSISDBHSA-N 439.512 2.644 0 50 IFAA NS(=O)(=O)c1ccc(CCNc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 2694929 FMPCHKMCZQCZOY-UHFFFAOYSA-N 428.905 2.771 0 50 IFAA O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697735 WFCOUVJGWOXLKN-UHFFFAOYSA-N 430.921 2.780 0 50 IFAA CC(C)CC[C@]1(C2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)NC(=O)N(CCN(C)C)C1=O 12157989 BNXIJKJZHNSJKR-XDSPWSPCSA-N 444.620 2.726 0 50 IFAA O=C(CCCn1nnnc1CN1CCOCC1)NCCC(c1ccccc1)c1ccccc1 14952849 VKQIKFNMFGVNAV-UHFFFAOYSA-N 448.571 2.624 0 50 IFAA COc1ccccc1CCC(=O)N1CCCC[C@@H]1CCn1cc(C(=O)NC2CC2)nn1 19790248 CLRYDPQLAIMGEW-LJQANCHMSA-N 425.533 2.583 0 50 IFAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N(C)c4ccccc4)CC3)c2c1 22752875 NFPWBQWRWFYDFH-UHFFFAOYSA-N 435.524 2.972 0 50 IFAA biogenic,in-vitro O=S(=O)(c1ccccc1)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 239882111 DAHMFNHNRAWEOS-UHFFFAOYSA-N 433.331 2.836 0 50 IFAA CC(=O)O[C@H]1CC[C@]23[C@@H](O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@]1(C)CC[C@H]43 254415707 XLUGVKZDVVAUBL-UJJXKLMESA-N 446.540 2.626 0 50 IFAA COc1ccc(NC(=O)Cn2cc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)N4C)cn2)cc1 495136454 DUJOUZIWFMJCSV-AWEZNQCLSA-N 448.483 2.560 0 50 IFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 495246557 GEUCVVNFQNJCCY-QHKNSIOISA-N 445.510 2.675 0 50 IFAA CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 622527 DDKWDZYKZQISSS-UHFFFAOYSA-N 437.931 2.767 0 50 IFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(=O)c3ccccc3)cc2)n1 754527 PUXDPYQDLGIVCK-UHFFFAOYSA-N 425.470 2.856 0 50 IFAA O=C(Cc1ccc(F)cc1)N1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1 11999661 GQVVSXMTWVWRPK-UHFFFAOYSA-N 426.488 2.911 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3c(F)cccc3F)cc2OC)CC1 20993808 FEAVHRADHHWUNP-IBGZPJMESA-N 449.542 2.640 0 50 IFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4ccn(C)c4c3)C2=O)cc1OC 206229834 YTCMLVSXNCRWGA-QGZVFWFLSA-N 436.468 2.645 0 50 IFAA CC1CCC2(CC1)N=C(O)N(CC(=O)N(CCc1ccccn1)Cc1ccncc1)C2=O 328591386 YIOXMCQFXZZONO-UHFFFAOYSA-N 435.528 2.753 0 50 IFAA CC(=O)NCc1cccc(CNC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)c1 1875261004 ABTGZWLMVNGSCR-UHFFFAOYSA-N 429.565 2.629 0 50 IFAA Cc1c(C(=O)N2CC[C@@H](N(C)C(=O)OCc3ccccc3)C2)sc2[nH]cnc(=O)c12 1875342237 GBZJTFBDNQGFLD-OAHLLOKOSA-N 426.498 2.776 0 50 IFAA CC1(C)CCC[C@@H](OC(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)C1 2325887163 WRCGRDFQEXUIEP-SJLPKXTDSA-N 427.501 2.643 0 50 IFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4CCC[C@H]4c4ccccc4)ccc3C2=O)C(=O)N1 2325896891 JTEAVNJBVKIXOH-PMACEKPBSA-N 432.480 2.817 0 50 IFAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2cnsn2)CC1 11702457 UBMVJGLPTVUKSG-UHFFFAOYSA-N 426.502 2.620 0 50 IFAA Cn1cc(CN2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3Cc2ccccc2)cn1 14746512 UFRYZUVGBOIJHB-UHFFFAOYSA-N 444.539 2.814 0 50 IFAA CSc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1C(=O)N1CCOCC1 16625224 JMAUVZHBGNUYKZ-UHFFFAOYSA-N 449.554 2.640 0 50 IFAA O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 100603506 HMOOHAJODBTTHZ-PTLNGURQSA-N 429.472 2.831 0 50 IFAA COc1cc2nc(NC3CCN(CC(=O)Nc4ccccc4)CC3)nc(N)c2cc1OC 110792712 ZMYLPCCYUHWPOU-UHFFFAOYSA-N 436.516 2.744 0 50 IFAA O=C(Nc1ccccc1)c1ccc(N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)nn1 170634089 NZEHLJUUBWPOMB-JOCHJYFZSA-N 442.523 2.656 0 50 IFAA Cc1ccccc1[C@H]1CCN(C(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1 468853096 FMYIZXZBYIORKA-AVRDEDQJSA-N 432.524 2.861 0 50 IFAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4cccc(Br)c4)nn23)C1 820312982 NWXNLBZFHKLVKJ-LLVKDONJSA-N 442.364 2.754 0 50 IFAA COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1 814590 VMEOMLASMUENSD-UHFFFAOYSA-N 444.553 2.689 0 50 IFAA COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 899721 VSIFJRXNBNBEOV-UHFFFAOYSA-N 440.521 2.760 0 50 IFAA Cc1nn(CC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)cc1Br 2780195 AYXQQPWAGWKDOJ-UHFFFAOYSA-N 436.335 2.683 0 50 IFAA O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCN(c2ccccc2)CC1 8587346 HFSJYDYHMAKRCQ-UHFFFAOYSA-N 427.570 2.577 0 50 IFAA CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 11873228 CHBLDAAMDQWDOR-FQEVSTJZSA-N 433.512 2.961 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)NCCc2cccc(F)c2)(c2ccccc2)C1=O 11881407 NYMVSWZPYHIQSY-XMMPIXPASA-N 426.488 2.608 0 50 IFAA COCCCC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)c(C)c2C)CC1 12049970 XXXKJQXEWPXNGP-JOCHJYFZSA-N 445.604 2.668 0 50 IFAA COc1cc(CNCCc2cccc(C)n2)ccc1OC[C@@H](O)CN1CCSCC1 12305555 KFXRSALAIUALFZ-NRFANRHFSA-N 431.602 2.519 0 50 IFAA CCN(CC)[C@H]1CCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1 12716205 HFTXHZCDZWRPSH-FQEVSTJZSA-N 431.577 2.649 0 50 IFAA COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1nccs1)CC2 14536330 NVTKPGNBCUYIFL-UHFFFAOYSA-N 440.569 2.556 0 50 IFAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)N2CCN(C(C)C)CC2)c1=O 64152544 LKMJECRGQRVINT-UHFFFAOYSA-N 430.593 2.733 0 50 IFAA O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 170629080 OXPLPESWJYPFFV-IUODEOHRSA-N 435.224 2.996 0 50 IFAA COc1ccsc1S(=O)(=O)NC(C)(C)CC(=O)N1CCN(c2ccccc2)CC1 225829131 DKPGPRHVYXGYIM-UHFFFAOYSA-N 437.587 2.553 0 50 IFAA COc1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)ccc1Br 230517234 FMZVNUYTEMELOB-UHFFFAOYSA-N 430.320 2.996 0 50 IFAA C[C@@]1(c2cccc(NC(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)c2)NC(=O)NC1=O 431633381 CNBGFTAYWYIVHP-DEOSSOPVSA-N 428.448 2.990 0 50 IFAA Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)Cc2c(C)[nH]c3ccnn3c2=O)c1 768360149 ONDBIQWQFXGZEZ-JOCHJYFZSA-N 430.508 2.944 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCOc2ccccc2)C1 1857689188 IEZAUJUJYDBRHN-OTNCWRBYSA-N 429.605 2.785 0 50 IFAA CN(C(=O)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)C1CCS(=O)(=O)CC1 1857705974 DGHJFKOCAAFDAU-ZDUSSCGKSA-N 425.938 2.733 0 50 IFAA O=C(c1nnc2n1CCCC2)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1875240449 DAPGVMCUGXJLLX-UHFFFAOYSA-N 430.512 2.897 0 50 IFAA O=C(O)[C@@H]1CC[C@H]2CCN(S(=O)(=O)c3ccc(OC4CCOCC4)c(F)c3)[C@@H]2C1 1875260356 RHNHCVQSZRJDKY-PMUMKWKESA-N 427.494 2.647 0 50 IFAA O=C(C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819832 RIRRHQWHGLKWEI-SFHVURJKSA-N 443.906 2.780 0 50 IFAA C[C@@H]1Cc2ccccc2N(C(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325901470 HNCSPVMRHNTKTR-VLIAUNLRSA-N 432.480 2.678 0 50 IFAA CCc1c(-c2ccccc2)n(-c2ccc3c(c2)OCO3)c2nc3c(c(=O)n(C)c(=O)n3C)n12 1078394 LZLJZFCNLCMMGP-UHFFFAOYSA-N 443.463 2.634 0 50 IFAA O=C(c1ccco1)N1CCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1 1926029 GHWQWNGQEJZYDG-UHFFFAOYSA-N 431.242 2.747 0 50 IFAA COc1cc(CNCc2cc(F)ccc2C)ccc1OC[C@H](O)CN1CCC(O)CC1 11774139 ULGQKIWZCPLZAS-JOCHJYFZSA-N 432.536 2.629 0 50 IFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCC[C@@H]3CCCO)cc2)CC1 12570636 VEKFXWKRNPFKSV-HXUWFJFHSA-N 432.561 2.860 0 50 IFAA COc1cccc(-n2c(CNC(=O)c3ccc(F)cc3)nnc2SCCN(C)C)c1 14971901 LUUZFSUQTANUOB-UHFFFAOYSA-N 429.521 2.999 0 50 IFAA COc1ccc(CN2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)c(OC)c1OC 15004635 DTCMBSCJHHPIPX-GOSISDBHSA-N 445.564 2.887 0 50 IFAA CN(Cc1ccn[nH]1)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12 19791325 KNYOBVARHUUFIG-UHFFFAOYSA-N 435.576 2.780 0 50 IFAA Cc1nc2ccc(Cl)cn2c1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1301562198 UEZVAMBNRNZSSW-NVXWUHKLSA-N 430.867 2.578 0 50 IFAA O=C(NC[C@H]1CCC[C@@H]1N1CCCS1(=O)=O)c1cc(C2CC2)nc(C(F)(F)F)c1 1875330801 ZXUOXLOIFUIYLC-CJNGLKHVSA-N 431.480 2.912 0 50 IFAA COc1cc(/C=c2/sc3nc(-c4ccccc4Cl)nn3c2=O)ccc1OC(C)=O 628982 UIDVGXJTHBTFSX-LICLKQGHSA-N 427.869 2.953 0 50 IFAA Cc1ccc(C(=O)NC[C@@H]2Cc3cccc(-c4cncnc4)c3O2)cc1N1CCNC1=O 12127005 ATLOYQBYKJJECY-IBGZPJMESA-N 429.480 2.715 0 50 IFAA CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)Cc2ccccc2F)C3)n(C)n1 12159467 UHHNYEOFNJLXBO-UHFFFAOYSA-N 449.530 2.882 0 50 IFAA COc1cccc(CNCC[C@H]2CCC(=O)N2C[C@@H](c2ccncc2)N2CCOCC2)c1 14882458 LTEFRYWIEIWAPK-VWNXMTODSA-N 438.572 2.634 0 50 IFAA CCNC(=S)N(CCc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100577971 VIFBAFNXCRRFSW-LJQANCHMSA-N 429.517 2.905 0 50 IFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 110685186 VESPKESDBHDBOL-INIZCTEOSA-N 426.542 2.899 0 50 IFAA O=C(CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1COC2=O)NCc1ccc(F)cc1 169757878 IJTMTPPXYPWRCY-IBGZPJMESA-N 429.835 2.673 0 50 IFAA O=C(NCc1ccncc1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 169758736 GSYRBEHKTCFQDT-QFIPXVFZSA-N 445.523 2.718 0 50 IFAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(C)cc4C)c2=O)CCCCC3)no1 169763960 MQZXSTNJDMRCSS-UHFFFAOYSA-N 437.500 2.604 0 50 IFAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4cccc(Cl)c4)c2=O)CCCCC3)no1 169765352 WHDZFZNNJDNPSH-UHFFFAOYSA-N 443.891 2.641 0 50 IFAA CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2cccc(Br)c2)CC1 823117509 DSWJCVDPBOVFFA-CQSZACIVSA-N 432.322 2.561 0 50 IFAA Cc1ccccc1[C@@H](CC(=O)N1CCN(c2cccc3cnccc23)C(=O)C1)NC(N)=O 1875259572 OMMLKERHCDMHKE-HXUWFJFHSA-N 431.496 2.518 0 50 IFAA COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 972138 OYOIRTNHFJLWHI-UHFFFAOYSA-N 429.878 2.734 0 50 IFAA O=C(Nc1ccccc1)c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)N2CCOCC2)c1 4058327 HGTFQSKSNLDZPB-IBGZPJMESA-N 445.541 2.551 0 50 IFAA O=C(NCCN1CCCC1)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 12041777 VJYHFALNMUJSEG-UHFFFAOYSA-N 446.511 2.761 0 50 IFAA O=C1CC[C@@H](C(=O)N2CCN(c3ncnc4ccccc34)CC2)CN1Cc1ccccc1F 12056617 NICGOKPXYPNOMB-LJQANCHMSA-N 447.514 2.856 0 50 IFAA CCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 12412067 HINYQIHSFLXHJX-UHFFFAOYSA-N 435.977 2.920 0 50 IFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 12701604 FOIBUVMTMRDTRU-JOCHJYFZSA-N 445.422 2.768 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccccc1F 13590989 JISMPRASKKKLGF-FYXHJSOBSA-N 428.510 2.999 0 50 IFAA O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H](NCc3cc4ccccc4s3)C[C@@H]12 14534543 NRVARCDNVOIUTA-JBACZVJFSA-N 435.549 2.676 0 50 IFAA COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cccc3cccnc13)CC2 14884875 KQNNUVJIKMXBQR-FQEVSTJZSA-N 436.560 2.734 0 50 IFAA O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@@H](n2cnnn2)CN1C1C2CC3CC(C2)CC1C3 15070596 VHEOJWVVZUEPJH-NLFMHIACSA-N 438.551 2.611 0 50 IFAA Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)n1 15838322 ZJORLTZWKVGZGZ-UHFFFAOYSA-N 433.512 2.844 0 50 IFAA O=C(NCCc1ccccc1)[C@H]1CCCN(C2CCN(c3ncnc4[nH]ccc34)CC2)C1 71614947 JIQVPHZHTUUHPS-FQEVSTJZSA-N 432.572 2.998 0 50 IFAA CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C1 222093661 AOOXNQLKPZNDID-WBLNKCRKSA-N 433.412 2.508 0 50 IFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](n2cc(C(=O)NCCO)nn2)CC1 257372114 XYHQDTKDOWPZQI-JCGIZDLHSA-N 439.482 2.724 0 50 IFAA CCOCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 263617185 MNWFGTSVBIMOQL-OAQYLSRUSA-N 440.544 2.550 0 50 IFAA O=C(O)COc1ccc(-c2cnccn2)cc1CN1CCN(c2ncccc2Cl)CC1 1506406973 SMTMMYPFDOHDHU-UHFFFAOYSA-N 439.903 2.978 0 50 IFAA CCOC(=O)[C@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 1848444170 RUXFQLATLCPIFX-RXVVDRJESA-N 431.441 2.681 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1CCc2nc[nH]c2C1 1875287844 CDNYSRXOAJCICC-GJZGRUSLSA-N 428.500 2.623 0 50 IFAA Brc1cccc(-c2cnc(CN[C@H]3CCN(c4ccc5nncn5n4)C3)[nH]2)c1 1875358663 DQYFQAAVYOXZTF-HNNXBMFYSA-N 439.321 2.645 0 50 IFAA O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 1165659 AHIUQXWKMYPOGT-UHFFFAOYSA-N 425.304 2.722 0 50 IFAA CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2n[nH]c4c2CCC4)C3)cc1 11839189 HUHHMZYANNYAIM-MRXNPFEDSA-N 437.521 2.702 0 50 IFAA CN(Cc1ccon1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 11878862 QXNIIQJGNNXIHY-QFIPXVFZSA-N 434.496 2.816 0 50 IFAA COc1cc(CN2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc2c1OCO2 12080310 IKZRJCLGCBJLJF-QGZVFWFLSA-N 427.505 2.525 0 50 IFAA CN(Cc1cc(-c2ccccc2)[nH]n1)C(=O)c1cn(C[C@H]2COc3ccccc3O2)nn1 12305519 JUVHHPDCRVLVKG-SFHVURJKSA-N 430.468 2.780 0 50 IFAA CN1CCN(C(=O)C[C@]2(c3ccc(-c4ccccc4)cc3)CC(=O)N(C3CC3)C2=O)CC1 14887695 AVQPYUQMBKOZLA-AREMUKBSSA-N 431.536 2.677 0 50 IFAA COc1ccccc1N1CCC(N2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)CC1 104638908 HMLKNXUOYRMQSQ-XMMPIXPASA-N 444.664 2.905 0 50 IFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccc(OC)c4)ccn3n2)cc1 169775831 CQTHVDHITIJRAT-UHFFFAOYSA-N 432.480 2.539 0 50 IFAA CCCCN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2I)CC1 428245218 FMIYQOVSICIYOB-UHFFFAOYSA-N 447.292 2.750 0 50 IFAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1875239795 NDSLDHYCJDMMTA-XUZZJYLKSA-N 427.545 2.657 0 50 IFAA NC(=O)[C@H](OC(=O)c1cnnn1Cc1ccccc1)c1ccc(Br)cc1F 1875256081 HBRBDEAOSNABAM-MRXNPFEDSA-N 433.237 2.611 0 50 IFAA Cn1c(=O)n(Cc2cccc(Br)c2)c(=O)c2c1ncn2Cc1ccccc1 720769 WKCMBVFCZGPMPT-UHFFFAOYSA-N 425.286 2.756 0 50 IFAA biogenic CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17100608 OQSZMBDQTJERRX-OALUTQOASA-N 436.574 2.708 0 50 IFAA Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCCN4CCOCC4)c3N2)cc1 19791148 VASYITXAUZGJNA-MSOLQXFVSA-N 437.466 2.914 0 50 IFAA Cc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1C 20775071 STJYJDIHYUHFIX-IFMALSPDSA-N 425.577 2.803 0 50 IFAA Cc1ccccc1N1CCCN(C(=O)C[C@H]2C(=O)NCCN2CC2CCCCC2)CC1 20997048 IKFMJOHUPOMEES-QHCPKHFHSA-N 426.605 2.805 0 50 IFAA COc1cccc(CCC(=O)NCCn2ccn3nc(-c4cccc(OC)c4)cc3c2=O)c1 169777078 SEFJTUUUQRYADH-UHFFFAOYSA-N 446.507 2.929 0 50 IFAA COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cccc(F)c4N4CCSC[C@H]43)C2=O)cc1 248121407 DXQGJFBWXYNNQA-HTAPYJJXSA-N 441.484 2.582 0 50 IFAA Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1ccc(CN2CCN(C)CC2)cc1F 1875262718 WKYHEGRCAAIYSR-UHFFFAOYSA-N 438.551 2.961 0 50 IFAA CN1CC[C@@H](NC(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)[C@@H]1c1ccccc1 1875331531 LTVCEPKMVNQCMR-KLNOSBNDSA-N 434.540 2.650 0 50 IFAA C[C@H](OC(=O)Cc1csc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 1875362508 HYNSAMABXRIWQJ-NSHDSACASA-N 430.935 2.765 0 50 IFAA Cc1cc(C(=O)N[C@H]2CCOC3(CCS(=O)(=NC(=O)[C@@H]4[C@H]5CCC[C@H]54)CC3)C2)ccn1 2332238247 JAEXKGSNCUWWRT-AQSKJEFMSA-N 445.585 2.872 0 50 IFAA COc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c(OC)c1 647820 QXQFRFQBUJDHLB-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA O=C(COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(Cl)cc1 834841 BSZHENVBFWUMKI-QGZVFWFLSA-N 437.901 2.837 0 50 IFAA Cc1ncc2c(c1CNC(=O)Cn1ccnc1)CCN(C(=O)c1c(F)ccc(F)c1F)C2 11882516 NPAVZDBWGYXIEX-UHFFFAOYSA-N 443.429 2.519 0 50 IFAA O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 12301551 XNCHJZUZKMOMCV-HXUWFJFHSA-N 438.553 2.844 0 50 IFAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 12379825 MEQUQAJVQWRJRK-QDMVCWPOSA-N 447.443 2.619 0 50 IFAA CCOC(=O)[C@@H]1CCCN(C2CCN(Cc3nc(COc4ccccc4)no3)CC2)C1 12432417 BXFVTMLEAUOOBB-GOSISDBHSA-N 428.533 2.888 0 50 IFAA O=C1CC[C@@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)CN1CCc1ccc(Cl)cc1 12749388 XWDAOAPGOPQLLZ-LJQANCHMSA-N 439.943 2.997 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccc(F)cc1F)C2 14536984 BDXOUJCTLYYZHN-GOSISDBHSA-N 432.515 2.937 0 50 IFAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)C[C@H]12 14740817 YYOTYTOXEXPGNI-BJKOFHAPSA-N 439.515 2.748 0 50 IFAA O=C(NC[C@@H]1CCCO1)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccncc2)C1 14749651 ASRYGAOPAFTPJJ-JQVVWYNYSA-N 440.519 2.593 0 50 IFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CCNC(C)=O)O3)c1 14984265 DYAAWWOXVSNMCN-QGZVFWFLSA-N 432.904 2.970 0 50 IFAA COc1cc(C[C@]2(CCC(=O)N(C)CCc3c(C)n[nH]c3C)CCC(=O)N2)ccc1F 14994526 JHLDKBGITFQBNI-HSZRJFAPSA-N 430.524 2.847 0 50 IFAA Cc1cc(C)cc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)c1 15000886 ZSZILEPDVAVCJX-RBBKRZOGSA-N 425.577 2.803 0 50 IFAA COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(OC)cc2)CN1Cc1ccccc1Cl 20916965 QEWAZVSMRKHDET-UGKGYDQZSA-N 431.964 2.844 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1)NCC1(N2CCCCC2)CCCCC1 55183153 OMLQNGLWWCWNDA-JOCHJYFZSA-N 444.595 2.821 0 50 IFAA O=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)N1CCO[C@@]2(CCOC2)C1 170597567 RKPMVCORLJITEW-FQEVSTJZSA-N 436.917 2.772 0 50 IFAA CC(C)(C)c1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc(C(C)(C)C)c1O 215857777 NUCXJUKSSHSZOQ-QGZVFWFLSA-N 436.618 2.932 0 50 IFAA Cc1ccc(-c2ccc(O)nn2)cc1NC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 952977447 JXPHDKACOGJRSQ-OAQYLSRUSA-N 449.486 2.626 0 50 IFAA C=CC(=O)N1CCCc2cc(C(=O)N[C@@H]3COCCN(C(=O)OC(C)(C)C)C3)ccc21 1875371640 HTVKHWGTOSSOJN-SFHVURJKSA-N 429.517 2.518 0 50 IFAA CCCc1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)[C@@H](OCC)C3CCOCC3)[C@@H]2C)s1 2325839369 QWYDXFYPPWXPPV-SUMDDJOVSA-N 437.606 2.955 0 50 IFAA C[C@H](C(=O)N1CCC([S@@](C)(=O)=NC(=O)[C@H]2CC23CCC3)CC1)N(C)CC(F)(F)F 2332239180 ZONGZKBTQACHKQ-KXVNXVSASA-N 437.528 2.675 0 50 IFAA CN(Cc1nc(-c2ccccc2)no1)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C)C1=O 11910751 ZHPBWFDVVKZVGI-HSZRJFAPSA-N 436.443 2.551 0 50 IFAA O=C(c1ccccc1F)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 12162740 XAVINHKZRPDTLH-UHFFFAOYSA-N 444.466 2.979 0 50 IFAA O=C(NCCc1cnccn1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 12387698 DXIPOWQZMXKCBN-LJQANCHMSA-N 428.540 2.998 0 50 IFAA CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)O)CC2)cc1 17099012 BITXEBFLCLSHDA-VQTJNVASSA-N 434.558 2.529 0 50 IFAA CCc1nc(C(C)(C)NC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)no1 225661756 XFJKZRFGJNHZHA-UHFFFAOYSA-N 433.553 2.900 0 50 IFAA COC(=O)c1c(OCc2ccncc2)cc(=O)n2c1CCN(CCCC(F)(F)F)CC2 299765276 LNPLZVHEQSKNLP-UHFFFAOYSA-N 439.434 2.810 0 50 IFAA CCOC(=O)c1c[nH]c2cc3c(cc2c1=NC1CCN(C(=O)c2ccncc2)CC1)OCO3 481671866 QTVDENXLOFKNCW-UHFFFAOYSA-N 448.479 2.674 0 50 IFAA Cc1cc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)ccc1F 1857713318 UZSZMNSRNRHTBA-UHFFFAOYSA-N 426.492 2.587 0 50 IFAA COC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 786448 VZVUJRYNHGMKCD-UHFFFAOYSA-N 426.878 2.540 0 50 IFAA COc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccc(OC)c(OC)c2)cc1 1133198 IPQUPNAASOMRAQ-QGZVFWFLSA-N 443.525 2.669 0 50 IFAA CC[C@@H](Sc1nnc(N)s1)C(=O)N[C@H](CSCc1ccccc1)C(=O)OC 2876788 LJAWLFODFCTBQI-CHWSQXEVSA-N 426.589 2.582 0 50 IFAA COc1cc(CN2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc(OC)c1OC 19855160 WWTZYHVVHYAOIG-UHFFFAOYSA-N 430.501 2.688 0 50 IFAA CC[C@H](C)C(=O)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1 23129650 CYHWKDZTWLHOEJ-RXVVDRJESA-N 443.563 2.714 0 50 IFAA Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3Cc4ccccc4C(=O)O3)C2=O)cc1 169975432 HXVYMOWPIUBYBR-LPGQDOADSA-N 436.489 2.929 0 50 IFAA COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]3[C@H](C)C(=O)C[C@H](c5ccco5)N3C(=O)[C@H]24)c1 252694978 SOLPERFSTZHDQZ-KOSBZDRTSA-N 448.475 2.728 0 50 IFAA COCCN1C[C@H](C(=O)N(Cc2ccc(F)cc2)Cc2ccc3c(c2)OCO3)CC1=O 824411967 RLPDIJOMYINDDL-GOSISDBHSA-N 428.460 2.578 0 50 IFAA COC(=O)Nc1ccc(NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 917751074 QLBJWPPGICNQTD-UHFFFAOYSA-N 442.471 2.609 0 50 IFAA COc1ccnc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)c1 1857704815 HBBMPDYYJPTSHH-QFIPXVFZSA-N 429.492 2.500 0 50 IFAA CCC(=O)N[C@H](c1nnc2n1CCN(Cc1cc(OC)c(OC)c(OC)c1)CC2)C(C)C 12126527 WVQZCPATJDSBNO-NRFANRHFSA-N 445.564 2.586 0 50 IFAA CN(C(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)C(C1CC1)C1CC1 12836218 HZPWTXUAXINMPU-UHFFFAOYSA-N 435.590 2.597 0 50 IFAA Cn1cc(CN2CCc3c(c(C(=O)NCc4nccs4)nn3Cc3ccccc3)C2)cn1 14533722 MNBOLWJMJAFZFY-UHFFFAOYSA-N 447.568 2.610 0 50 IFAA CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(OC)c(OC)c1OC)CC2)C(C)C 14885265 JGHUSCWXRYEAAE-FQEVSTJZSA-N 445.564 2.586 0 50 IFAA Cc1ccccc1C[C@@]1(C2CCN(C(=O)C(C)C)CC2)NC(=O)N(CCCN(C)C)C1=O 14988729 IXGNAYCBZJMPJQ-VWLOTQADSA-N 442.604 2.674 0 50 IFAA COC(=O)COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1OC 16448185 RVSYMWZYRUKDNL-FQEVSTJZSA-N 425.441 2.514 0 50 IFAA Cc1cnc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)cn1 19939892 SBFWDKGZCKZKCL-QHCPKHFHSA-N 445.523 2.584 0 50 IFAA CCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@H](C(F)(F)F)C[C@@H]2C)n(C)n1 20606133 ZLAIFHKHIZJRST-WFASDCNBSA-N 426.443 2.949 0 50 IFAA CCCc1noc(-c2cn(C3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)nn2)n1 169777404 JTFULQPRSGMKFU-UHFFFAOYSA-N 426.477 2.775 0 50 IFAA CC(=O)O[C@H]1CC[C@@]23[C@@H]4CC[C@]5(C)[C@H](CC[C@H]5C5=CC(=O)OC5)[C@]4(CC[C@@]2(O)C1)O[C@H]3O 254415702 XLUGVKZDVVAUBL-RIRLLWDZSA-N 446.540 2.626 0 50 IFAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)C1 494890799 GMBIMDSAUGFGCG-DGFYSVAWSA-N 443.975 2.735 0 50 IFAA O=C(O)CC[C@@]12CN(CCn3cc(Cl)cn3)C[C@@H]1CN(Cc1ccncc1Cl)C2 1772813991 DQUCRBLZJUGTAK-UZLBHIALSA-N 438.359 2.884 0 50 IFAA CCCOc1ccc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1OCC 2366781 VYLSZUNHMIBHHM-RGEXLXHISA-N 435.505 2.913 0 50 IFAA COc1cc(C(=O)N(Cc2cnn(C)c2)C(C)C)ccc1OC1CCN(C(C)=O)CC1 11951235 AMCNJVNCOTUNJZ-UHFFFAOYSA-N 428.533 2.869 0 50 IFAA CC(C)NC(=O)c1cn(CC[C@H]2CCCCN2C(=O)CCc2ccc3c(c2)OCO3)nn1 11975625 ZDTJEXXQEJCXPS-GOSISDBHSA-N 441.532 2.549 0 50 IFAA O=C(NCc1cc(F)ccc1F)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 12191394 PQODWUPOSVHDAB-UHFFFAOYSA-N 437.446 2.997 0 50 IFAA O=C(CC1=CSC2=NCCN12)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 12433181 VZDFCJZUDDRTDF-KRWDZBQOSA-N 429.565 2.589 0 50 IFAA COc1cccc(CO[C@@H]2CN(Cc3cn(C)nc3C)CC(=O)N(Cc3ccccn3)C2)c1 14537273 FPWIDMFBJBDOAK-XMMPIXPASA-N 449.555 2.562 0 50 IFAA Cc1nc(CN(C)[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cs1 14746217 XVXBKHLSTLIZPC-GOSISDBHSA-N 431.606 2.766 0 50 IFAA O=C(Nc1ccnn1C1CCN(Cc2cccn2-c2nccs2)CC1)[C@@H]1CCOC1 14964979 GQPUGGDKAYTBLB-MRXNPFEDSA-N 426.546 2.942 0 50 IFAA O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 15065400 ZHTJPQNLMIBDHB-YVSHKSEASA-N 425.573 2.698 0 50 IFAA Cc1c(S(=O)(=O)N(CCc2ccc(F)cc2)Cc2ccnn2C)cnn1C(F)F 20614451 GTPQDJTYPXBFHO-UHFFFAOYSA-N 427.452 2.893 0 50 IFAA Cc1ccc([C@H]2NC(=O)N(CC(=O)NCc3ccccc3Cl)C3=C2C(=O)OC3)cc1 169758078 CVPIVLDNZDSVAP-HXUWFJFHSA-N 425.872 2.842 0 50 IFAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4c(C)cccc4C)c2=O)CCCCC3)no1 169763961 XEEWQHUIPGDYHD-UHFFFAOYSA-N 437.500 2.604 0 50 IFAA C[C@H](SCc1ccc(Cl)cc1)C(=O)N1CCC(N2CCN(CCO)CC2)CC1 952870241 UNDIKHSYNDBSRY-KRWDZBQOSA-N 426.026 2.563 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc(C(C)(C)C)n[nH]2)C1 1857691642 UBNRNENTOPAOGA-LJFZDNNRSA-N 431.625 2.536 0 50 IFAA O=C(NC[C@H]1CCCCN1)c1sccc1S(=O)(=O)N1CCCc2ccccc2C1 1875305167 JMQLJLSLKSGRSB-GOSISDBHSA-N 433.599 2.757 0 50 IFAA CCOc1ccc(CCNC(=O)Cn2nnc(-c3ccc(OC)cc3)n2)cc1OCC 720459 NDCYRASIQZFOQI-UHFFFAOYSA-N 425.489 2.505 0 50 IFAA biogenic Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 1127352 LBIPPCFEDCHBOY-UHFFFAOYSA-N 434.283 2.994 0 50 IFAA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)c(O)c(OC)c1 2074770 GKCGIIOGLCMILN-OAHLLOKOSA-N 443.294 2.713 0 50 IFAA C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H]3CN(CCCc4ccccc4)CC[C@@H]32)NC(=S)N1 11966021 RVZQUQBVFJDXBU-YJMBLLCNSA-N 428.646 2.947 0 50 IFAA CSCC[C@H](NC(C)=O)C(=O)NC[C@H]1CCC2(CCN(Cc3ccccc3C)CC2)O1 12450783 NLVRGSLVFZHXBS-YADHBBJMSA-N 447.645 2.883 0 50 IFAA COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(=O)c3cc(C)n(C)n3)CC2)c1 15068601 KNAFSURDHQGPBU-UHFFFAOYSA-N 426.517 2.657 0 50 IFAA COc1cc(CNCc2ccccc2Cl)ccc1OC[C@H](O)CN1CCC(O)CC1 15068914 RLIKGLIVDRVTAP-HXUWFJFHSA-N 434.964 2.835 0 50 IFAA O=C(C[C@@H](CNC(=O)[C@@H]1CCCN1)c1ccc(Cl)cc1)NC[C@H]1CC[C@H](C(=O)O)CC1 253390510 OBTFEBVMTLNXEZ-CAIZAGQASA-N 449.979 2.689 0 50 IFAA Cc1c(CN2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C 1857679688 QJWZCZJHBWCZSE-VWLOTQADSA-N 432.524 2.734 0 50 IFAA COc1ccc(CN(Cc2ccccc2)C(=O)CCc2c(C)nc3nc[nH]n3c2=O)cc1 1875254719 FFKZPQIEUBAPIZ-UHFFFAOYSA-N 431.496 2.896 0 50 IFAA O=C(Cn1cnnn1)Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1 2325699545 INQINIGHFWSOMQ-UHFFFAOYSA-N 441.447 2.900 0 50 IFAA COC(=O)c1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 676736 CSFLNCKSVAFROK-UHFFFAOYSA-N 430.404 2.897 0 50 IFAA Nc1nnnn1CC(=O)N(Cc1ccccc1)C1(C(=O)Nc2ccccc2)CCCCC1 718797 SMLYQEAVAVKXKD-UHFFFAOYSA-N 433.516 2.626 0 50 IFAA CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 2961994 MVJZAMMYJFNBNC-HNNXBMFYSA-N 433.530 2.764 0 50 IFAA COc1ccc(C(=O)N(C)C[C@@H](O)c2ccccc2)cc1OC1CCN(C(C)=O)CC1 11754174 BDMPTTGXGYAQDR-OAQYLSRUSA-N 426.513 2.891 0 50 IFAA Cc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)nn1C 11841329 PDWKSARSWQDQET-HSZRJFAPSA-N 447.539 2.528 0 50 IFAA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 14752661 DIIZYHICJUGFAU-UHFFFAOYSA-N 435.524 2.929 0 50 IFAA CCOC(=O)c1c(NC(=O)[C@H](CC)Sc2nc(N)cc(=O)[nH]2)sc2c1CCCC2 18094085 BCJNBDYXAOFBPN-NSHDSACASA-N 436.559 2.979 0 50 IFAA COc1ccc(CN(C)Cc2cccc(Cl)c2)cc1OC[C@H](O)CN1CCN(C)CC1 20449012 LYZZHLVGLYYURV-JOCHJYFZSA-N 448.007 2.968 0 50 IFAA Cn1cc(Oc2ccccc2C(=O)NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cn1 802128285 OCKQNYDWIIOGAJ-UHFFFAOYSA-N 449.872 2.756 0 50 IFAA Cc1ccc([C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c2ccccc2Cl)cc1 2325749857 BZZXXBDQLJVJDN-MGPUTAFESA-N 446.960 2.955 0 50 IFAA CCCCN(C)C(=O)c1cn(CCOC)cc(C(=O)NCCc2cccc(Cl)c2)c1=O 12132879 PHSJFTOWQZYHSO-UHFFFAOYSA-N 447.963 2.993 0 50 IFAA Cc1n[nH]c(C)c1CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 12386218 FSRCIPLTTQRCQC-HSZRJFAPSA-N 433.556 2.571 0 50 IFAA COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cnn(-c3ccccc3)c2)CC1 14959780 ZXODDXABYXYBLA-QHCPKHFHSA-N 426.561 2.852 0 50 IFAA CN(CCOc1ccccc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55575340 FDLVMZARXBXHRS-FQEVSTJZSA-N 449.473 2.933 0 50 IFAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1cc(F)cc(F)c1 169752472 UTNCOJUVPYVEEK-UHFFFAOYSA-N 428.370 2.711 0 50 IFAA COc1ccc(Cc2nc(NC(=O)CC[C@H]3NC(=O)c4ccccc4N=C3O)n[nH]2)cc1 252550161 SBTBFSBIEXZWNX-QGZVFWFLSA-N 434.456 2.523 0 50 IFAA CCN1CCN(CCOc2ccccc2CN2CCC[C@@]3(CCC(=O)N(C)C3)C2)CC1 952965251 FZBMUFRQNSWMFG-VWLOTQADSA-N 428.621 2.537 0 50 IFAA Cc1csc(SCc2ccccc2C(=O)OCC(=O)N[C@@H]2CCCCNC2=O)n1 1875258678 PHQNNHSUZJIJQA-MRXNPFEDSA-N 433.555 2.686 0 50 IFAA NC(=O)c1nn(CC(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)c(=O)c2ccccc12 1875265428 NUSGOTMDXHBYST-UHFFFAOYSA-N 439.884 2.911 0 50 IFAA O=C(N[C@@H]1CCCN(C(=O)COC2CCCCC2)C1)c1nnn(C2CC2)c1C(F)F 2325828027 WSSZDICONNBYFO-CYBMUJFWSA-N 425.480 2.621 0 50 IFAA C[C@@H]1CCCC[C@H]1CC(=O)N1C[C@@H]2C[C@H](C1)CS(=O)(=NC(=O)[C@]1(F)CCOC1)C2 2332238324 LDNSQROSRBCTOV-VARIRZFWSA-N 428.570 2.804 0 50 IFAA C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccn2)cc1)c1ccccc1 802366 GUUSOCKGMLEOAC-KRWDZBQOSA-N 425.510 2.816 0 50 IFAA CCNC(=O)C[C@@H]1C(=O)N(c2cccc(OC)c2)C(=O)N1Cc1ccc(OC)c(OC)c1 8599583 PDBBHSXUEFMBLD-GOSISDBHSA-N 441.484 2.576 0 50 IFAA CN(C[C@H]1COCCO1)C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 12075639 OWQSQBVDOOEHTD-VWLOTQADSA-N 443.632 2.669 0 50 IFAA O=C(Nc1ccnn1C1CCN(C(=O)Cc2c(F)cc(F)cc2F)CC1)[C@@H]1CCOC1 12611987 BGYTYGZUAAEXMD-CYBMUJFWSA-N 436.434 2.682 0 50 IFAA CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 14531425 XDXNXLZAKHOCQT-UHFFFAOYSA-N 444.919 2.704 0 50 IFAA COC(=O)[C@@H]1CCCCN1C(=O)C1CCN(c2nc(C)c3ccc(OC)cc3n2)CC1 20270801 QCKUALGZNFVGIM-FQEVSTJZSA-N 426.517 2.717 0 50 IFAA COc1cc(CN2CCN(C3CCN(C(C)C)CC3)[C@H](CCO)C2)c(Cl)cc1O 104634319 QPTPJITTXSHPBV-LJQANCHMSA-N 426.001 2.796 0 50 IFAA COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)C(=O)Nc1ccc3c(c1)OCCO3)CC2 208202866 BHNZBBAZUZDDFY-CQSZACIVSA-N 441.484 2.570 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(c3nccc(N4CCC[C@@H](O)C4)n3)CC1)OCC2 1704336848 SCSDLHCQEHWDBB-GOSISDBHSA-N 440.544 2.523 0 50 IFAA Cc1noc([C@@H]2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)C2)n1 1857799207 RABCJVYKCKBMKE-OAHLLOKOSA-N 430.461 2.948 0 50 IFAA Cc1cn2c(n1)C[C@H](C(=O)NCC[C@@H]1CN(c3ncnc4n[nH]cc34)c3ccccc31)CC2 1875287812 AKRITRPICKZASD-IAGOWNOFSA-N 442.527 2.862 0 50 IFAA COc1ccc(C[S@@](=O)Cc2c(CO)cnc(C)c2O)c(Br)c1OC 1875322898 MPNBDOVSHADABI-RUZDIDTESA-N 430.320 2.817 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)Cc2cccc3cccnc23)CC1=O 2325819476 GBXANQJQGWMXHM-OXJNMPFZSA-N 437.521 2.791 0 50 IFAA CCOC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)s2)c2ccccc21 990094 JHFJNRRLJVDLBD-GOSISDBHSA-N 438.299 2.881 0 50 IFAA COc1ccc(N(CC(=O)NC(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 2064616 LSAZRJXVDUHCJY-UHFFFAOYSA-N 436.530 2.822 0 50 IFAA Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3c(=O)[nH]cnc32)cc1 20394342 ACJJRLCUUOTOMX-UHFFFAOYSA-N 449.492 2.919 0 50 IFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(F)cc2F)C2=C1C(=O)OC2 169758138 LEQNFJCMMYPRQW-HXUWFJFHSA-N 443.406 2.879 0 50 IFAA C[C@H](C(=O)N1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@H]21)N1C(=O)NC2(CCCC2)C1=O 252516341 SCZFTINAQACSSV-TWMKSMIVSA-N 433.549 2.741 0 50 IFAA Cn1nc(CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)c2ccccc2c1=O 299754381 FRVAKXNDVPTLIH-ILWHBRQTSA-N 432.568 2.898 0 50 IFAA biogenic COc1ccc([C@H](CC(=O)NC2CCN(C(C)=O)CC2)c2cc3c(cc2O)OCO3)cc1 824654625 OFMYOUOYXCDRRR-IBGZPJMESA-N 440.496 2.779 0 50 IFAA biogenic C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)c1nc(C(F)(F)F)cs1 1467522730 ALFZZZFQZCEKDV-ZKYQVNSYSA-N 445.438 2.683 0 50 IFAA COc1ccc2cc([C@@H](C(=O)O)N3CCC(C(N)=O)(N4CCCCC4)CC3)ccc2c1 1506395829 NRJZIXHOELRUNW-NRFANRHFSA-N 425.529 2.780 0 50 IFAA COc1ccc(NC(=O)CC[C@@]23CCC(=O)N2c2ccccc2-c2nc(=O)c(C)nn23)cc1 1857532526 MYBGUGZFIJEJNC-XMMPIXPASA-N 445.479 2.834 0 50 IFAA COCCNC(=O)c1cn(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nn1 1857668699 UNILIXQMWNCBTI-UHFFFAOYSA-N 433.512 2.799 0 50 IFAA CCOc1ccc(OCC(=O)N2CCCC[C@H]2c2cn(Cc3nnc(C)o3)nn2)cc1 1875361498 TXIGUFLLDUKZOL-IBGZPJMESA-N 426.477 2.549 0 50 IFAA CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 1123412 PAIKGWIYUGPDOR-UHFFFAOYSA-N 427.507 2.791 0 50 IFAA NC(=O)CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 1204980 QFEGYMZILKUEEW-UHFFFAOYSA-N 425.539 2.610 0 50 IFAA CCN(C[C@@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 11786354 MXVSVYBLWLOAPC-NVQXNPDNSA-N 449.551 2.739 0 50 IFAA COc1ccc([C@]2(CC(=O)N(C)C3CCOCC3)CC(=O)N(C3CCCC3)C2=O)cc1 12470647 PVCUUEZCEXVVPK-DEOSSOPVSA-N 428.529 2.662 0 50 IFAA Cc1nnc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)o1 19334027 WGRJQBQFDJDUEK-OAQYLSRUSA-N 449.511 2.519 0 50 IFAA c1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c2c(c1)OCO2 20601144 AAPAEUQGIOSHDO-NRFANRHFSA-N 437.540 2.926 0 50 IFAA CC[C@H](C)C(=O)Nc1c(C(=O)OC)n(C[C@@H]2CCCO2)c2ncc(N[C@H](C)CO)cc12 104496788 VEEDIMUKVLRSTN-LZWOXQAQSA-N 432.521 2.779 0 50 IFAA C[C@H]1CN(Cc2ccccn2)CCN1C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 225384562 ROKYRQWCOLNOME-SFHVURJKSA-N 442.585 2.649 0 50 IFAA COCCn1cc([C@@H]2[C@H](C(=O)Nc3cnc(C4CC4)nc3)CC(=O)N2C(C)(C)C)cn1 225455496 GOHXDNLGRBIDMB-IEBWSBKVSA-N 426.521 2.524 0 50 IFAA CC(C)CC[C@@]1(C2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)NC(=O)NC1=O 299767018 AHWZCFZFKMIYOX-QHCPKHFHSA-N 425.485 2.660 0 50 IFAA O=C(NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H](c1ccccc1)N1CCc2ccccc21 446329197 GCCMANBCTLDTHI-KVFBUXGHSA-N 441.531 2.714 0 50 IFAA Cc1cc(Oc2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)n[nH]1 469960279 WYNSCOQYJWSDEC-UHFFFAOYSA-N 440.525 2.993 0 50 IFAA C[C@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1(c2ccccc2)CCCC1 476791670 KFZMUXCGGBRIJK-JTSKRJEESA-N 427.545 2.619 0 50 IFAA COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)OCCN1CCOCC1)C(=O)OC2 1857524302 RTGDFNSFWBGLEC-UHFFFAOYSA-N 433.501 2.524 0 50 IFAA C[C@@H](CCS(=O)(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 1857533481 IFQRFKVUXUJKEV-LIRXXZQZSA-N 444.634 2.862 0 50 IFAA CCN1CCN(C[C@@H](O)COc2cccc(CNCCCc3scnc3C)c2)CC1 19224691 MOKVIXGWJZQHNS-OAQYLSRUSA-N 432.634 2.551 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 19868620 ZTCNSLGEONRNDO-UHFFFAOYSA-N 437.949 2.684 0 50 IFAA O=C(NCCc1ccccn1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 169760268 WOTNCLPPNGJLQF-UHFFFAOYSA-N 427.508 2.791 0 50 IFAA C[C@@H](NC(=O)c1cc(Br)ccc1-n1cnnn1)c1nc2ccccc2n1C 223219240 LMWWBGYZYWTBMN-LLVKDONJSA-N 426.278 2.803 0 50 IFAA C[C@]12C(=O)N(CCCCCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@@]4(C)C3=O)C(=O)[C@@H]1[C@H]1C=C[C@H]2C1 239403191 RPIRGQBOYWGCNC-XJWONOIXSA-N 436.552 2.941 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)C[C@H]2C[C@@H]2Cc2ccccc2)CC1=O 2325820032 YIBXNTFYTPIUOE-XYEHWOGUSA-N 440.565 2.921 0 50 IFAA COC(=O)c1ccccc1NC(=O)CSc1nc(=O)cc(N)n1CCc1ccccc1 1076725 CVXWRLFJNBLEAK-UHFFFAOYSA-N 438.509 2.586 0 50 IFAA COc1ccc(NC(=O)C2=C(C)Nc3nc(CCCO)nn3[C@@H]2c2ccc(O)cc2)cc1 8583686 ZUGHLDNMVMDYKT-OAQYLSRUSA-N 435.484 2.845 0 50 IFAA Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@H](C(=O)N2CCCN(C)CC2)C3)c1C 12035111 SVCMWQNBVZTMQD-MRXNPFEDSA-N 440.569 2.921 0 50 IFAA CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)CCc2nc3ccccc3[nH]2)CC1=O 14532800 WEGHFQZDGLMORT-FQEVSTJZSA-N 449.555 2.803 0 50 IFAA COc1ccccc1/C=C/CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 14957086 RXMRKNVFMAVXRO-VMPITWQZSA-N 449.530 2.856 0 50 IFAA O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1cccc(F)c1)CC2 14964037 OTOQIFZJLFQJCD-UHFFFAOYSA-N 425.483 2.516 0 50 IFAA CCn1cc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCC4)c(C(=O)NCCOC)n1 19646456 IYCJHKHRXIWPMU-UHFFFAOYSA-N 447.586 2.971 0 50 IFAA O=C(c1ccc(F)cc1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 23359271 GTJHWDBIRDXEQZ-NRFANRHFSA-N 425.504 2.977 0 50 IFAA Cc1nc(CN2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)cs1 55154700 KRBFVOBXGUBDKV-UHFFFAOYSA-N 428.547 2.774 0 50 IFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)n1 67614254 VBORMGCKCXNTRY-UHFFFAOYSA-N 443.983 2.853 0 50 IFAA NC(=O)[C@H]1CCCN1Cc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 170617478 HSEWTOPHMURUHS-QGZVFWFLSA-N 427.448 2.956 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2[S@@](=O)CC)cc1 170655818 YZMHUSFEMXWLAV-BDFPLDJBSA-N 440.631 2.926 0 50 IFAA Cn1cnnc1[C@H]1CCCN1c1cc(N2CCC[C@@H]2c2nncn2C)nc(C(C)(C)C)n1 225823204 KEOPOQPUYHRADP-HZPDHXFCSA-N 436.568 2.714 0 50 IFAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 409414512 LIIMDHOYZVIGII-CMKODMSKSA-N 427.545 2.534 0 50 IFAA biogenic CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2c[nH]c3ncc(Br)cc23)n1 792490338 BREKASXIIDYYQE-UHFFFAOYSA-N 440.323 2.517 0 50 IFAA Cc1ccc2oc(=O)n(CCC(=O)NCCc3nc(O)c4c(C)c(C)sc4n3)c2c1 827822996 BJULUOYQXFDZCX-UHFFFAOYSA-N 426.498 2.979 0 50 IFAA CN(C)C(=O)CCC(=O)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857704675 BGPAGKRIQSYKKF-OAQYLSRUSA-N 443.588 2.870 0 50 IFAA O=C(N[C@H]1CCCN(c2ccc(Br)cc2)C1=O)c1csc(=NC2CC2)[nH]1 1875319064 YGERPAPPSPKPBR-AWEZNQCLSA-N 435.347 2.827 0 50 IFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2cnc3ccsc3c2)CC1=O 2325819858 SJHDCGQDOFNLSP-HIFRSBDPSA-N 429.523 2.711 0 50 IFAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nn2)n1 11697296 MVGAWWARSLLMCX-UHFFFAOYSA-N 428.493 2.574 0 50 IFAA COc1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H](C)n2nc(C)cc2C)C3)nn1 11880459 RMXOFXGSIGHYAN-RHSMWYFYSA-N 425.464 2.786 0 50 IFAA CO[C@H]1CCCN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)C1 12150532 CKQWAJMSWBLIBI-UWJYYQICSA-N 438.446 2.892 0 50 IFAA COC[C@@H]1CCCCN1C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12579984 QXQYBQQKBYEZEN-INIZCTEOSA-N 444.981 2.784 0 50 IFAA O=CN1CCN(Cc2ccc(OCC[C@@H]3CCCCN3C(=O)c3cncs3)cc2)CC1 14962673 FIPAACYQTRSARG-FQEVSTJZSA-N 442.585 2.881 0 50 IFAA C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(Cc4cccc(F)c4)CC3)c2C(N)=O)C1 19641476 DHOZDCOTJRFQQV-OAHLLOKOSA-N 444.576 2.867 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3ccc(F)cc3)cc2OC)CC1 20206157 XVADZTKMSXNUGA-JOCHJYFZSA-N 431.552 2.501 0 50 IFAA CCc1ccc(CN(C)Cc2ccc(OC)c(OC[C@H](O)CN3CCN(C)CC3)c2)cc1 20541836 HDPHOHHHZVXYSO-XMMPIXPASA-N 441.616 2.877 0 50 IFAA CC(C)(C)OC(=O)N1CCC(CNC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)O)CC1 211383370 PMJXXYFXVGVQIV-PMACEKPBSA-N 445.560 2.583 0 50 IFAA O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(F)cc1)[C@H]1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]31 239439106 ZKXHQSHCOVDPJB-RKGSWTEASA-N 434.398 2.692 0 50 IFAA O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 257199081 RRMKGXDODDKGHU-JRINMYIISA-N 434.540 2.925 0 50 IFAA biogenic COCCCN1C(=O)C[C@@](CC(=O)N[C@H](C)c2nccs2)(c2ccccc2C)C1=O 299794445 KQRAMXMFCYDLTQ-ZHRRBRCNSA-N 429.542 2.752 0 50 IFAA CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)C1 952974650 JTWWWFSDJOMDMN-CYBMUJFWSA-N 431.436 2.816 0 50 IFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)CC1 1704337220 SWDPDIDDORPZST-HXUWFJFHSA-N 435.524 2.529 0 50 IFAA COc1ccc(F)c(CN2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c1 2100483764 MZIDIWPJEYTQJU-UHFFFAOYSA-N 428.508 2.647 0 50 IFAA COC(=O)c1cc(NS(=O)(=O)c2cc3c(Br)cccc3s2)nn1C 2325818876 BNMQMFMNBAQPMF-UHFFFAOYSA-N 430.305 2.985 0 50 IFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@H]2Cc3ccc(Br)cc3NC2=O)cc1 2325889689 JFCGPVXKYWVEQD-KRWDZBQOSA-N 428.286 2.891 0 50 IFAA Cc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1C 1058929 QHHCZPDPDPESBR-GOSISDBHSA-N 433.549 2.946 0 50 IFAA O=C(Nc1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1507475 ZHFFGWRAZQQUTL-UHFFFAOYSA-N 425.304 2.722 0 50 IFAA C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)c2C(N)=O)C1 2843141 GWKDXTYYOXCTSB-SNVBAGLBSA-N 431.539 2.870 0 50 IFAA COCCCC1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)CC1 11661586 UZXYWKDWTURGQB-NRFANRHFSA-N 439.622 2.884 0 50 IFAA COC(=O)C1CCN(Cc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)CC1 12053014 OEVIGGXVUBRPLC-QHCPKHFHSA-N 426.557 2.943 0 50 IFAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2cccc(Cl)c2)cc1 12712902 LIQBRSHMGOQHTC-NRFANRHFSA-N 429.948 2.788 0 50 IFAA Cc1ncsc1CCCNC(=O)CC[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N1 14879086 XYZSWNBRCSOAPK-QFIPXVFZSA-N 429.542 2.901 0 50 IFAA O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCc1ccc(Cl)cc1 44891580 DOBFBGPEYVDCMJ-UHFFFAOYSA-N 437.931 2.540 0 50 IFAA CCNc1cc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc(C)n1 65363716 JNWPMTZXVHAPCL-UHFFFAOYSA-N 429.468 2.747 0 50 IFAA O=C(NCc1ccco1)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 169758714 IHFBXJUTTVPDFT-NRFANRHFSA-N 434.496 2.916 0 50 IFAA O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC1 252461698 NLZQAQLBKPPACK-MXVIHJGJSA-N 431.540 2.947 0 50 IFAA O=C(Cn1cnc2ccsc2c1=O)N[C@H]1CC[C@H](CN2Cc3ccccc3C2=O)CC1 1775942474 QLIYUYKEZFASCN-JCNLHEQBSA-N 436.537 2.789 0 50 IFAA CN(C(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1)C1CCS(=O)(=O)CC1 1857705973 DGHJFKOCAAFDAU-CYBMUJFWSA-N 425.938 2.733 0 50 IFAA O=C(CNC(=O)Nc1ccccc1-c1nnnn1C1CC1)Nc1ccc(-n2cccn2)cc1 1875252663 TUIZCMZQTLEOLJ-UHFFFAOYSA-N 443.471 2.621 0 50 IFAA Nc1nccnc1C(=O)N[C@H]1CCCC[C@H]1N=c1[nH]c(Cl)nc2ccc(Cl)cc12 1875335088 RWYHMJIJIYPRRV-KGLIPLIRSA-N 432.315 2.884 0 50 IFAA COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 789521 WYWCFRRNULPDTC-UHFFFAOYSA-N 446.569 2.772 0 50 IFAA biogenic COc1ccc(S(=O)(=O)Nc2ccncc2)cc1N(C)S(=O)(=O)c1ccccc1 9969658 OTRGFZUHZPQMTJ-UHFFFAOYSA-N 433.511 2.716 0 50 IFAA CCN(Cc1ccncc1)Cc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 11821103 SLQMGYLJHFGNRB-OAQYLSRUSA-N 431.602 2.901 0 50 IFAA COc1cccc([C@@]2(CC(=O)N3CCC[C@H](C(C)=O)C3)CC(=O)N(C3CCCC3)C2=O)c1 12036712 QLSIPIGBGHBEMF-AVRWGWEMSA-N 440.540 2.852 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1ccccc1OC 13810186 DUBSORMYUKZIFB-VOMPUTFMSA-N 438.505 2.708 0 50 IFAA O=C(Nc1cccc(Cl)c1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1 14535005 FGJJVWRAEGRCGU-JQFCIGGWSA-N 447.322 2.826 0 50 IFAA CC[C@H](C)CNc1cc(C(=O)NCCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 14746792 SLCHMPZVHFKGQI-SFHVURJKSA-N 447.605 2.946 0 50 IFAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](N1CCN(c3ccccc3O)CC1)CC2 14750435 AZQLWGJKOXTVSS-SFHVURJKSA-N 449.555 2.670 0 50 IFAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)N1CCN(c3ccccc3)CC1)C=C2 253405472 IHSZILOBMDLZOI-UHFFFAOYSA-N 435.524 2.798 0 50 IFAA biogenic CCOC(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C 784819117 VIFSNOFBCPBKHF-CRAIPNDOSA-N 447.532 2.954 0 50 IFAA C[C@@H](C(=O)N1CCCN(Cc2cccc(F)c2)CC1)N(c1ccccc1)S(C)(=O)=O 1506401733 FYCBACBKYNSJFA-SFHVURJKSA-N 433.549 2.715 0 50 IFAA Cn1ccc(C2CCN(Cc3cccc(OCCCN4CCOCC4)c3)CC2)cc1=O 1772805438 KQQXPQLZALSVAI-UHFFFAOYSA-N 425.573 2.866 0 50 IFAA Cc1cccc(OCC(=O)N[C@@H](CNC(=O)C[C@@H]2CCCNC(=O)C2)C2CCCCC2)c1 1875344201 HDHJBNAOQUPMHC-KNQAVFIVSA-N 443.588 2.862 0 50 IFAA C=CC(=O)N1CCC(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)(c2ccccc2)CC1 1875369584 WYRSXJMHLUUQNV-AREMUKBSSA-N 429.520 2.855 0 50 IFAA Cc1ccc(C(=O)N2CCC([S@](C)(=O)=NC(=O)c3cc4n(n3)CCCO4)CC2)c(F)c1 2332238581 DHSHOKFCPUBORX-HKBQPEDESA-N 448.520 2.656 0 50 IFAA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](CCSC)C(=O)O)cc1 9043685 GRNDOVALYPVDSF-XWALVKJWSA-N 428.510 2.789 0 50 IFAA biogenic COc1cc(=O)n2c(c1C(=O)N[C@@H](C)c1ccco1)CCN(C(=O)c1ccccc1)CC2 11788750 BOAGTLZXYUBXFB-INIZCTEOSA-N 435.480 2.639 0 50 IFAA COc1cccc([C@]2(CC(=O)N3CCC[C@@H](C(C)=O)C3)CC(=O)N(C3CCCC3)C2=O)c1 12036708 QLSIPIGBGHBEMF-CJAUYULYSA-N 440.540 2.852 0 50 IFAA COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCN(C(=O)CCC(C)C)CC2)C1=O 14880518 QKSIRXCXXVRPST-DEOSSOPVSA-N 447.551 2.980 0 50 IFAA CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 19637573 KOXZWVNLEZMGJB-UHFFFAOYSA-N 442.990 2.988 0 50 IFAA COCCCn1c(CN(C)C[C@H]2CCCCN2C)cnc1S(=O)(=O)C1CCCC1 20256116 SJOXLSYDRHQVRM-GOSISDBHSA-N 426.627 2.552 0 50 IFAA CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)[C@H]1OC 252513396 ZNELTWSJFPPVIB-MISXGVKJSA-N 428.732 2.582 0 50 IFAA CCN(Cc1ccccc1)C(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 263615196 BBYALCJWCHOLNZ-UHFFFAOYSA-N 434.471 2.843 0 50 IFAA CC(=O)Nc1cc(NC(=O)C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)ccc1F 441933838 MPAFAOVUNXKEDS-IFXJQAMLSA-N 432.521 2.983 0 50 IFAA CN(C)S(=O)(=O)c1cccc(N2C(=O)N[C@H](C[C@H]3CCCc4ccccc43)C2=O)c1 445865237 ADJYZNDIGYDXND-OXQOHEQNSA-N 427.526 2.872 0 50 IFAA CCOc1ccc2nc(N3C[C@@H](C(=O)N4CCc5nc(C)[nH]c5C4)CC3=O)sc2c1 1857726876 HHNYYWBICOCQGJ-ZDUSSCGKSA-N 425.514 2.664 0 50 IFAA Cc1cccn2cc(CC(=O)NCCCCCNC(=O)Cc3cn4cccc(C)c4n3)nc12 2325749591 YNGPLQDXEIDHOL-UHFFFAOYSA-N 446.555 2.787 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1C 1076870 HJFUDHZGWUYEQA-UHFFFAOYSA-N 428.554 2.989 0 50 IFAA CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(C1Cc3ccccc3C1)CC2 14536255 WPAVQMQAWGEBFA-UHFFFAOYSA-N 426.605 2.860 0 50 IFAA Cc1nonc1C(=O)N1CCc2c(cnc(C)c2CNC(=O)CSc2ccccc2)C1 299765431 GQQBZHMJMRDUQP-UHFFFAOYSA-N 437.525 2.688 0 50 IFAA O=C(NCCc1ccc(F)cc1)[C@H]1Cc2ccccc2CN1C(=O)CCCn1cncn1 746848253 TVXNXKPKOFKFQZ-JOCHJYFZSA-N 435.503 2.510 0 50 IFAA CC[C@H](C)[C@H](NC(=O)C[C@@H](c1ccc(OC)cc1)c1cc2c(cc1O)OCO2)C(N)=O 823491160 IURPNHTULASFDG-ODIUBACGSA-N 428.485 2.668 0 50 IFAA biogenic CC(=O)N1CCN(c2cccc(NC(=O)N[C@@H](C)[C@H](O)c3ccc(F)c(F)c3)c2)CC1 1875265089 MHQPXSLYKCNVPB-QKKBWIMNSA-N 432.471 2.877 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)c1ccc2nc(O)[nH]c2c1 1875288277 VJDRXLVAIVXKBO-AWEZNQCLSA-N 440.467 2.990 0 50 IFAA Cc1cc(C)nc(N2CCC[S@@](=O)(=NC(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)CC2)n1 2332238651 GXVNUALAYSKVEA-DRKIFQHWSA-N 449.621 2.725 0 50 IFAA CC(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 2859074 QKWCINLKZOOXFS-NSHDSACASA-N 425.304 2.957 0 50 IFAA CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 4537228 VXEXZNQIPZLQBX-OALUTQOASA-N 430.526 2.847 0 50 IFAA in-vitro O=C(O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@@H]3C2=O)cc1 8694870 JNFXIHPHMSORHL-UBFBPUDLSA-N 425.440 2.928 0 50 IFAA CCOC(=O)C[C@@H]1COCCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 11874866 WBQAXPIRNJUNHU-HXUWFJFHSA-N 434.496 2.710 0 50 IFAA O=C1CCC(=O)N1CCOc1ccc(CN(C(=O)c2[nH]nc3c2CCCC3)C2CC2)cc1 12246365 RTRVHVKGARPZQP-UHFFFAOYSA-N 436.512 2.621 0 50 IFAA COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(Cc4cnn(C)c4)CC3)C2=O)cc1 14541555 XMUOFIMELOCHCH-UHFFFAOYSA-N 439.560 2.884 0 50 IFAA COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)c1 19831600 YANOOLOLMCHGCC-UHFFFAOYSA-N 430.501 2.688 0 50 IFAA O=C(O)CCc1ccc(S(=O)(=O)NCCc2ccc(OCC(F)(F)F)nc2)cc1 478259945 QDGONASYURHWEB-UHFFFAOYSA-N 432.420 2.561 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCOc2ccccc2F)C1 1857698685 DGWDVJRNEWGZOA-JXALWOEJSA-N 433.568 2.534 0 50 IFAA CNC(=O)[C@H]1CCCC[C@@H]1NC(=O)N=c1[nH]nc(-c2cccc(Br)c2)s1 2325742322 LNEDLJAMMIOJGD-STQMWFEESA-N 438.351 2.816 0 50 IFAA Cc1c(Br)cccc1CS(=O)(=O)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C 2325877572 UYBMSPGUOJVPOP-QGZVFWFLSA-N 447.395 2.890 0 50 IFAA CCCc1c(C(=O)NCCCn2ccnc2)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 11789764 XZSXCVFMEWBIGR-UHFFFAOYSA-N 436.512 2.903 0 50 IFAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cnc(-c3ccccc3)s1)CC2 11882331 QMTYMBCWQGKURV-INIZCTEOSA-N 440.573 2.674 0 50 IFAA COc1cc(OC)c(OC)cc1CN1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1 12190289 OTJLIYQDVVVOQG-GOSISDBHSA-N 445.564 2.887 0 50 IFAA COc1ccc(C(=O)N(C)Cc2n[nH]c3c2CCCC3)cc1OC1CCN(C(C)=O)CC1 12444352 PIHVVSMSAGVKPO-UHFFFAOYSA-N 440.544 2.959 0 50 IFAA O=C1CCCN1CCCN1C[C@@H](OCC2CC2)CN(Cc2cc3ccccc3o2)CC1=O 14530360 SXPJPTMYHYCGCE-QFIPXVFZSA-N 439.556 2.885 0 50 IFAA COc1cccc(CCC(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)c1 14980190 IREZSFFEOATLLE-IBGZPJMESA-N 427.549 2.829 0 50 IFAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 17099008 ZBSUUIFDHLECNH-RBUKOAKNSA-N 434.558 2.584 0 50 IFAA CCOC(=O)c1cc(N2CCC(NS(=O)(=O)c3cccs3)CC2)ncc1Cl 170601981 YIJIVFFZGJIBFP-UHFFFAOYSA-N 429.951 2.921 0 50 IFAA CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@@H](c1ccccc1OCC(=O)O)CC(=O)O2 218088997 MBZPLSHHTKFPOH-CYBMUJFWSA-N 438.388 2.914 0 50 IFAA biogenic C[C@H](OC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)C(=O)c1cccc(Cl)c1 239339002 LOQBAPSGARVXSQ-HJIAOOCYSA-N 427.884 2.898 0 50 IFAA COc1ccc(-c2nn3c(C4CCN(S(C)(=O)=O)CC4)nnc3s2)cc1Cl 951726674 ILGVAWDFIMEPOV-UHFFFAOYSA-N 427.939 2.654 0 50 IFAA CCN1CCN(CCOc2ccccc2CN2CCC[C@]3(CCC(=O)N(C)C3)C2)CC1 952965234 FZBMUFRQNSWMFG-RUZDIDTESA-N 428.621 2.537 0 50 IFAA Cc1cc(C[C@@H]2CN(Cc3ccc(OCC(=O)N4CCC(C)CC4)cc3)C[C@H]2O)on1 1529191374 XQISHHCTOUGJEW-NFBKMPQASA-N 427.545 2.656 0 50 IFAA O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(c2cc(C3CC3)ncn2)CC1 1857682130 ITVBPEZIEQFESU-HXUWFJFHSA-N 426.492 2.768 0 50 IFAA NC(=O)[C@@H](OC(=O)c1cnnn1Cc1ccccc1)c1ccc(Br)cc1F 1875256080 HBRBDEAOSNABAM-INIZCTEOSA-N 433.237 2.611 0 50 IFAA COc1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 2332239434 TZBNVUJRGVALPF-JMUQELJHSA-N 449.551 2.912 0 50 IFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(Br)c(O)c(OC)c1 627019 LRPIPPKHANEPPJ-UHFFFAOYSA-N 426.263 2.744 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cc(F)ccc2C)c(C)c1C 12571179 XSLXVMCGLHNQMN-OAQYLSRUSA-N 427.520 2.766 0 50 IFAA COCCN1C(=O)C[C@](CC(=O)NC2C3CC4CC(C3)CC2C4)(c2ccccc2C)C1=O 14990325 DZYVFUAIUJVSPG-BPPFZBJHSA-N 438.568 2.969 0 50 IFAA C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(c4ccccc4F)CC3)c2C(N)=O)C1 17097048 DPOQLFRWIPDREJ-CQSZACIVSA-N 430.549 2.872 0 50 IFAA COc1ccc(CN(C)Cc2ccccc2Cl)c(OC[C@@H](O)CN2CCN(C)CC2)c1 20600295 SJBCXGHCQUJWAP-NRFANRHFSA-N 448.007 2.968 0 50 IFAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3ccnc3)nc(C)n2)CC1 65364913 VDCLNOLQVMYPBX-UHFFFAOYSA-N 427.896 2.987 0 50 IFAA COc1ccc(CN2CCN(Cc3cnc(N4CCCC4)s3)C[C@H]2CCO)c(F)c1 104524884 RIKMDOISFCLXKS-GOSISDBHSA-N 434.581 2.960 0 50 IFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 263585424 IJUXQFRPWFPVRR-YCSHWKNNSA-N 427.589 2.946 0 50 IFAA biogenic O=C([C@@H](O)c1ccc(Cl)cc1F)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 813368860 RZNSHPQIBOKZAY-KRWDZBQOSA-N 447.315 2.699 0 50 IFAA O=C([C@@H](O)[C@H](O)c1nc2ccccc2s1)N1CCC2(CC1)OCCc1ccsc12 1319922894 ZUDFDOLKFYUQHH-IRXDYDNUSA-N 430.551 2.843 0 50 IFAA COc1ccccc1CCNC(=O)[C@H]1CC[C@@H](O)[C@H](Nc2nccc(C(F)(F)F)n2)C1 1857688016 PEWBKPWIYUPFSU-ARFHVFGLSA-N 438.450 2.804 0 50 IFAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1CN2CCCC[C@@]2(C(=O)NC2CCC2)C1 1857690353 IBZAWYIPFKXBKH-CPJSRVTESA-N 436.556 2.974 0 50 IFAA O=C(Nc1cccc(N2CCO[C@H](CO)C2)c1)c1nn(-c2ccccc2F)c2c1CCC2 1875252173 UYQMRGZCWZLRRU-SFHVURJKSA-N 436.487 2.950 0 50 IFAA O=C(NCCn1ncc2ccccc21)c1ccc2[nH]nc(I)c2c1 2325853913 HDIYNZQBQGHFAK-UHFFFAOYSA-N 431.237 2.947 0 50 IFAA COc1ccc(S(=O)(=O)NCCCN2CCc3ccccc32)cc1C(=O)N1CCCC1 13676143 MWQJHPFMENJYQH-UHFFFAOYSA-N 443.569 2.662 0 50 IFAA CC(C)CNc1cc(C(=O)NC[C@@H]2CCCN(C)C2)cc(S(=O)(=O)NC(C)(C)C)c1 14732273 UGXNBVNMMOLQDX-KRWDZBQOSA-N 438.638 2.903 0 50 IFAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCC(n2cc(C(=O)N(C)CCO)nn2)CC1 14997302 IILHUBFUUWCGPL-HNNXBMFYSA-N 439.482 2.629 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 15821781 VRZFISOTTXGICD-UHFFFAOYSA-N 441.475 2.820 0 50 IFAA CCOc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 19909384 OFWGTRDWMCCOTI-UHFFFAOYSA-N 432.542 2.937 0 50 IFAA COc1ccccc1CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 55109164 HAKWKRXUJOFICD-HXUWFJFHSA-N 433.574 2.886 0 50 IFAA CN1CCC(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 67338799 GIMAIVRSKUMWFS-UHFFFAOYSA-N 435.977 2.985 0 50 IFAA COc1cc(C[C@@]2(CCC(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)CCC(=O)N2)ccc1F 244852980 VDALONAHNOXBOR-ZTWIHRJBSA-N 444.547 2.862 0 50 IFAA COc1ccc([C@H]2Cn3cnc(C(=O)N4CCC(C(=O)N5CCCC5)CC4)c3CO2)cc1 263618274 SAQFQLDKMCZJMD-OAQYLSRUSA-N 438.528 2.638 0 50 IFAA O=C1CC[C@H](N2Cc3cc(-n4cc(-c5cccc(C6CCC6)c5)nn4)ccc3C2=O)C(=O)N1 1875355351 HNPRSUIIWMSPOQ-QFIPXVFZSA-N 441.491 2.963 0 50 IFAA CCc1ccc(-c2ccc(C(=O)N(CC(=O)NC)Cc3nc([C@@H]4CCOC4)n[nH]3)o2)cc1 1875380768 ZDQAHEGWPZCBTM-QGZVFWFLSA-N 437.500 2.519 0 50 IFAA Cn1ccc2cc(CN3CCC4(CCc5c(O)nc(N6CCOCC6)nc54)CC3)ccc21 2356136406 STHULJYDDCYCDX-UHFFFAOYSA-N 433.556 2.991 0 50 IFAA CCOc1cc(CN2CCC3(CC[C@H](CNC(=O)c4ccnn4C)O3)CC2)ccc1OC 11813987 OTFGAIVWYFUFMR-LJQANCHMSA-N 442.560 2.771 0 50 IFAA O=C(NCc1nnc2n1CCN(Cc1ccc3ncccc3c1)CC2)c1cccc(F)c1 11909099 NPBZYZGAAWSADP-UHFFFAOYSA-N 430.487 2.954 0 50 IFAA COc1cc(CNCCc2ccc(F)cc2)ccc1OC[C@@H](O)CN1CCSCC1 12465279 ATRAQXCIXNMFEK-NRFANRHFSA-N 434.577 2.955 0 50 IFAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)[C@@H]1COc3ccccc3C1)CC2 14751314 JUZQGLOQKBANJQ-SFHVURJKSA-N 446.507 2.639 0 50 IFAA Cc1ccn(CCC(=O)NC[C@H]2Cc3cccc(-c4ccc(S(C)(=O)=O)cc4)c3O2)n1 14881725 CJVXDEPJALRZAW-LJQANCHMSA-N 439.537 2.772 0 50 IFAA O=C([C@H]1CCCO1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 14993697 KRCUNLWBPDWBSI-SONYQCCOSA-N 437.584 2.652 0 50 IFAA CC(=O)N1CCN(C[C@@H](O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)CC1 35686223 LOIQEFIYYSGUOG-HXUWFJFHSA-N 436.508 2.672 0 50 IFAA C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 239297274 DWPYLYPPXJXUCQ-KISWYBERSA-N 443.503 2.923 0 50 IFAA COc1ccccc1C(=O)Cn1cnc(CC(C)C)c(I)c1=O 253417791 ICXPKHSAXYOGDR-UHFFFAOYSA-N 426.254 2.938 0 50 IFAA O=C(NCCc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253425246 BXPYSODVYVSYGT-KRWDZBQOSA-N 443.352 2.742 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)N[C@@H](C)c2nccs2)(c2ccccc2C)C1=O 299794424 KQRAMXMFCYDLTQ-KSFYIVLOSA-N 429.542 2.752 0 50 IFAA COc1ccc(NC(C)=O)cc1NC(=O)c1cc(F)ccc1NC(=O)N1CCN(C)CC1 886024591 KSGUDVLKQKWZAV-UHFFFAOYSA-N 443.479 2.824 0 50 IFAA CC(=O)c1ccnc(N2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)c1 1857700862 NGOWTHUUYDNPGX-OAQYLSRUSA-N 427.476 2.699 0 50 IFAA Cc1cc(O)n2nc(CNC(=O)[C@@H]3CCCC[C@@H]3C(=O)N3c4ccccc4C[C@H]3C)nc2n1 1875262204 UPDPUBAVLAKPFT-NXHRZFHOSA-N 448.527 2.539 0 50 IFAA NC(=O)c1ccc(N2CCC(C(=O)N[C@H](Cc3ccccc3)c3ccncc3)CC2)nc1 2325822214 JZJXIOYEOZCEQJ-JOCHJYFZSA-N 429.524 2.892 0 50 IFAA COc1ccc2c(c1)O[C@@H](C)CN(CCC(=O)NCCc1n[nH]c(-c3ccccc3)n1)C2 15006173 BTCXWBBBPAQBMW-KRWDZBQOSA-N 435.528 2.812 0 50 IFAA COc1ccc(Cn2c(C3CCN(C(=O)c4ccc(OC)c(F)c4)CC3)n[nH]c2=O)cc1 169770606 BHITUJWRQGBSAP-UHFFFAOYSA-N 440.475 2.796 0 50 IFAA O=c1nc2n(nc1-c1ccccc1)[C@]1(CCCS(=O)(=O)C1)Nc1ccc(Cl)cc1-2 170620091 FVJFHWGJBCPOLL-FQEVSTJZSA-N 428.901 2.913 0 50 IFAA Cc1cc(NC(=O)CCN2CCn3c(Cc4cccc(Br)c4)nnc3C2)no1 225675080 XWMAVNBWWHIQAM-UHFFFAOYSA-N 445.321 2.772 0 50 IFAA COc1ccc(C2=NN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)[C@@H](c3ccco3)C2)cc1 229384507 SEMNONKIKNRDCV-QWFCFKBJSA-N 433.464 2.917 0 50 IFAA Cc1ccc(NC(=O)CNC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)cc1 245309694 FMAFIYBPJAVWCZ-WGSAOQKQSA-N 443.569 2.835 0 50 IFAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3C[C@H](O)[C@H](Cc4ccncc4)C3)cs2)n1 1704355877 WZHDICVFNSVHFL-HIFRSBDPSA-N 437.447 2.727 0 50 IFAA O=C(CN1CC[C@H](COCc2ccccc2)C1)Nc1cc(Cl)ccc1-c1nn[nH]n1 1875341020 CNUYWZLANJBNFF-INIZCTEOSA-N 426.908 2.997 0 50 IFAA Cc1cc(C)nc(C(=O)N=[S@@](C)(=O)C2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)c1 1875392456 CQCZWOUCSLBNCR-RVUYGOLISA-N 433.574 2.743 0 50 IFAA Cc1c(C(=O)NC2CC(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)C2)[nH]c2c1C(=O)CCC2 2325715866 IHGTZJTWIYHOBS-UHFFFAOYSA-N 436.512 2.688 0 50 IFAA CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1csc(S(N)(=O)=O)c1 2325877221 MQMCWLWLOVQHLX-UHFFFAOYSA-N 429.567 2.733 0 50 IFAA CCOC(=O)c1cnn(-c2cc(C)ccc2C)c1CNCc1ccc(S(N)(=O)=O)cc1 11967427 WCAADFBHVVULAC-UHFFFAOYSA-N 442.541 2.603 0 50 IFAA Cc1nc(N2CCC(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)nc2ccc(C(C)C)cc12 12051556 NVIMNNWLTOLIBK-KRWDZBQOSA-N 444.601 2.829 0 50 IFAA CC(=O)c1ccc(C(=O)N2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 12201065 RLUSOUKSTFGHRO-VWLOTQADSA-N 433.508 2.952 0 50 IFAA CSCC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCC2(CCN(Cc3ccccc3C)CC2)O1 12450781 NLVRGSLVFZHXBS-VXKWHMMOSA-N 447.645 2.883 0 50 IFAA COc1ccccc1/C=C/CN1CCc2nnc([C@@H](C)NC(=O)c3cccnc3)n2CC1 12457488 ZFNLVUWQZQERTH-AHKGRUIUSA-N 432.528 2.744 0 50 IFAA COc1cc(CNCCc2ccc(F)cc2)ccc1OC[C@H](O)CN1CCSCC1 12465282 ATRAQXCIXNMFEK-OAQYLSRUSA-N 434.577 2.955 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3ccccc3C)cc2OC)CC1 20207943 LZOQCDMFZFGXEC-HSZRJFAPSA-N 427.589 2.671 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2-c1ccccc1OC 20345213 SXGIZKCLOSYOEM-UHFFFAOYSA-N 449.438 2.838 0 50 IFAA O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)Nc1cccc(Cl)c1 44918490 XCANJGBYPOARDQ-UHFFFAOYSA-N 437.931 2.858 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccs1)NCc1ccccc1OC(F)(F)F 55360599 GVHVNUDJRIINER-HNNXBMFYSA-N 427.448 2.654 0 50 IFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C2=C1C(=O)OC2 169758162 OUYGAEGURRQLFI-HXUWFJFHSA-N 443.406 2.879 0 50 IFAA CC[C@@](C)(O)c1cn(Cc2cccc(C(=O)N[C@H](C(=O)O)c3ccc(F)c(C)c3)c2)nn1 1875354007 OAQMJBWQALXXHN-NZQKXSOJSA-N 440.475 2.947 0 50 IFAA CCOc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=O)CCC(=O)O)C2=O)cc1 13615934 IRRMAWSNUHVWQN-FQEVSTJZSA-N 438.480 2.653 0 50 IFAA COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CCN(C2CCOCC2)CC3)cc1 14745303 XHUXHCRQFLKUBW-UHFFFAOYSA-N 429.561 2.924 0 50 IFAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(I)cc1 100394908 OWNWGISRDQJPBF-GREKMHCPSA-N 438.265 2.651 0 50 IFAA CCCC(=O)N1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N(C[C@H]3CCCO3)C2=O)CC1 299770138 QPVRMAMCLDXARE-HYBUGGRVSA-N 445.535 2.877 0 50 IFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 746335438 NOGNESRKYKAWQQ-ZDUSSCGKSA-N 442.497 2.741 0 50 IFAA CCc1cccc2c(C(C)=O)cn(CC(=O)N3CC[C@@]4(C(=O)O)CCCN(C)[C@@H]4C3)c12 1704298423 FMSXYVVREGZYKI-YKSBVNFPSA-N 425.529 2.804 0 50 IFAA CSc1ncc(CN2CCCNC(=O)CC[C@H](c3ccccc3)CCNC(=O)C2)cn1 1875239972 BRHKKRGAAGQJMZ-FQEVSTJZSA-N 441.601 2.591 0 50 IFAA O=C(NCCCn1ccc(O)nc1=O)c1c(NC(=O)C2CCCCC2)sc2c1CCC2 2325861366 NVCALWNOFUQHNT-UHFFFAOYSA-N 444.557 2.838 0 50 IFAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)c4c(Cl)cccc4Cl)cc3C2=O)C(=O)N1 2325886629 CXWRGVBYNAYYOI-INIZCTEOSA-N 446.290 2.684 0 50 IFAA Cc1noc(C)c1[C@H](C)C(=O)N=S1(=O)CCC2(CC1)C[C@H](NC(=O)C(C)C)CCO2 2332238414 RZNLFPMYYPBXSI-IRBJEANNSA-N 439.578 2.873 0 50 IFAA C[S@](=O)(=NC(=O)[C@H]1CCC[C@H](F)C1)C1CCN(C(=O)Cn2ccc(C(F)F)n2)CC1 2332239061 UXNPAMKMORBVMY-JSRFDTRYSA-N 448.511 2.964 0 50 IFAA CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 3977889 VOVIALXJUBGFJZ-ZDKSQZSNSA-N 430.541 2.717 0 50 IFAA COCCN1C(=O)C[C@](CC(=O)N2CCC(c3ccncc3)CC2)(c2ccccc2C)C1=O 11880542 LZVWLERITINFLP-AREMUKBSSA-N 449.551 2.829 0 50 IFAA COC(=O)c1cc(CNC(=O)c2cncs2)cc(NS(=O)(=O)c2ccc(F)cc2)c1 12218297 CXMMQQOJRMWCQL-UHFFFAOYSA-N 449.485 2.800 0 50 IFAA COc1ccc(C(=O)NCCCOc2cccnc2)cc1OC1CCN(C(C)=O)CC1 12318776 CXYHCCLOHGZPAF-UHFFFAOYSA-N 427.501 2.679 0 50 IFAA Cc1cc(C)n(CC(=O)N(CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)n1 12386259 YCZHCZHQLUGDBL-OAQYLSRUSA-N 429.584 2.941 0 50 IFAA CC(=O)c1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)[nH]n1 14531932 VSDVRJZDKVYKMY-FQEVSTJZSA-N 438.528 2.815 0 50 IFAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C[C@H]2CN(C)CCN2C)CC1 22892461 XYEVPSAARMLIEA-QFIPXVFZSA-N 429.605 2.817 0 50 IFAA CN(CCOc1ccccc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 55254800 YRZZKAHHNXNDTI-HXUWFJFHSA-N 433.911 2.707 0 50 IFAA Cc1cc(C)n(-c2ccc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nn2)n1 67613511 WZWYOYNJKOETMH-UHFFFAOYSA-N 426.908 2.660 0 50 IFAA COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 241969527 UXBCDFOHCFWTSB-NPPFBWRTSA-N 434.558 2.585 0 50 IFAA Cn1c(=O)oc2ccc(S(=O)(=O)N3CCCN(c4nc5ccccc5s4)CC3)cc21 952989104 CACIMXVHYIPRPG-UHFFFAOYSA-N 444.538 2.642 0 50 IFAA Cc1ccc(Cl)cc1N1CCN(c2nc([S@](C)=O)nc(N)c2Br)CC1 1875357488 JJIGIPDIUFMIRL-VWLOTQADSA-N 444.786 2.847 0 50 IFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 708977 DXLVSXMUPCSXRM-IBGZPJMESA-N 427.457 2.988 0 50 IFAA CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 785337 HFCLZBPHDUPRKQ-UHFFFAOYSA-N 448.541 2.920 0 50 IFAA Cc1ccc(C(=O)N2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)cn1 12036723 ICMGGSBZIJZPPU-RUZDIDTESA-N 432.524 2.720 0 50 IFAA Cc1c(C(=O)NCCCN2CCCC2=O)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 12132481 JENNLRRJWBXODE-UHFFFAOYSA-N 444.539 2.869 0 50 IFAA CN(CCO)C(=O)c1cn([C@@H]2CCCN(Cc3ccc4c(c3)Cc3ccccc3-4)C2)nn1 12133409 WJVUQPCCFBVKDW-OAQYLSRUSA-N 431.540 2.751 0 50 IFAA COc1cccc(C[C@]2(CCC(=O)NCCc3cn4ccsc4n3)CCC(=O)N2)c1 12240191 PTPBZOQENHUMMR-QFIPXVFZSA-N 426.542 2.735 0 50 IFAA CCOc1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3cccc(C)c3)s2)cc1O 22782108 JFKVAJHBHSFUAL-UHFFFAOYSA-N 439.497 2.896 0 50 IFAA COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)[C@H](c1ccccc1)N1CCCC1 110689401 VYCAJIJMOZKVLR-NRFANRHFSA-N 429.542 2.912 0 50 IFAA CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 170636599 MKLVKBUBLCQRRR-VUCTXSBTSA-N 427.314 2.980 0 50 IFAA O=C(CC1(n2cccc2)CCCCC1)N1CCCN(S(=O)(=O)N2CCCCC2)CC1 888103949 NMHPWQQASJMNJD-UHFFFAOYSA-N 436.622 2.803 0 50 IFAA N[C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)C2)C1 1775988977 WTOQATJRSBTDGU-PDSXEYIOSA-N 430.499 2.998 0 50 IFAA CNC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3Cl)C2)c1 1875390231 SOJXKLIDUZIFJA-MRXNPFEDSA-N 429.904 2.956 0 50 IFAA CC(C)C[C@@H](NC(=O)c1cc2cncc(Br)c2s1)C(=O)N=c1cc[nH][nH]1 2325839726 CLXYUFKARACSRT-GFCCVEGCSA-N 436.335 2.987 0 50 IFAA C[C@H]1Cc2ccccc2N(C(=O)Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325901469 HNCSPVMRHNTKTR-VBKZILBWSA-N 432.480 2.678 0 50 IFAA COC(C)(C)c1nsc(N2CCC([S@@](C)(=O)=NC(=O)C[C@H]3CCCO3)CC2)n1 2332239161 YSVKOTOXNGPCIL-DBDZUICISA-N 430.596 2.582 0 50 IFAA C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cc3c(cc1Cl)OCO3)CC2 12077908 IUJOJONQZIJUMV-CYBMUJFWSA-N 443.891 2.803 0 50 IFAA NC(=O)c1ccc(N2CCC(CCC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)nc1 12386424 ZCSLFOKWWZIWIZ-JOCHJYFZSA-N 435.572 2.568 0 50 IFAA CSc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1C(=O)N1CCOCC1 16652384 MAAJLKVQACXEQI-UHFFFAOYSA-N 428.482 2.960 0 50 IFAA Cc1ccc(OCCN(C)Cc2c(C(=O)N3CCCN(C)CC3)nc3sccn23)cc1 20540386 FNNLLWMSOWKQTD-UHFFFAOYSA-N 441.601 2.993 0 50 IFAA CCN(c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1)S(=O)(=O)CC 65364409 KSFXJUBOZKDQOV-UHFFFAOYSA-N 430.574 2.867 0 50 IFAA COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(O3)[C@@H]3[C@H](C)C(=O)C[C@@H](c5ccco5)N3C(=O)[C@H]24)c1 252694976 SOLPERFSTZHDQZ-DUYFGZQSSA-N 448.475 2.728 0 50 IFAA Cn1cccc(NC(=O)N2CC[C@](c3nc(-c4cccnc4)no3)(C(F)(F)F)C2)c1=O 1775960332 GFOQFTCMMFSPQA-SFHVURJKSA-N 434.378 2.568 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)/C=C/c1ccccc1)C2 1857702993 LRZAWNLWTFPOKW-YRJBEFHLSA-N 426.557 2.983 0 50 IFAA CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 3977890 VOVIALXJUBGFJZ-KSYPJOPYSA-N 430.541 2.717 0 50 IFAA CCn1nc(C)cc1C(=O)N1CC(=O)N(CC(C)C)C[C@@H](OCc2ccccc2F)C1 14533470 BPDXTODPSIZKIO-LJQANCHMSA-N 430.524 2.876 0 50 IFAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)Cc2cnc3ncnn3c2)C1 14958729 VNSPUNWCRROIOL-JOCHJYFZSA-N 441.919 2.735 0 50 IFAA COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 16394047 MBPPZTZQSCDOHZ-UHFFFAOYSA-N 428.554 2.989 0 50 IFAA COc1cc(CN2CCC(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)cc(OC)c1 19221210 BAKPTZCAFIXNEW-QFIPXVFZSA-N 445.604 2.675 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2cccc(Cl)c2)cc1C 19838363 KTVABPOBOJEZNR-FQEVSTJZSA-N 429.948 2.706 0 50 IFAA CN1CCC(N[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3ccccc3)C2)CC1 23362994 AHYTVHIOQLXNAD-ZCYQVOJMSA-N 438.591 2.811 0 50 IFAA CCn1cc(Cl)c(=NC(=O)N[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)[nH]1 1857530894 OQTJKLAGJQSGBC-ZDUSSCGKSA-N 431.802 2.804 0 50 IFAA Cc1nc(O)cc(C(=O)NC[C@H]2Cc3ccccc3CN2C(=O)/C=C/c2cccc(O)c2)n1 1875359360 BEFZOVSFODMCDU-SQUSKLHYSA-N 444.491 2.593 0 50 IFAA O=C(CN1CCn2c(nn(CC(F)F)c2=O)C1)N1c2ccccc2CCc2ccccc21 2325748757 CTPXJVXTNGFFJK-UHFFFAOYSA-N 439.466 2.589 0 50 IFAA COc1ccccc1OCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)COc1ccccc1OC 674044 PMWWFSYEZJHEKA-ROUUACIJSA-N 442.512 2.705 0 50 IFAA CC(=O)Oc1ccc2nc(-c3ccc4c(c3)C(=O)N(Cc3cccnc3)C4=O)oc(=O)c2c1 692625 HWSNTKIQSQPSIA-UHFFFAOYSA-N 441.399 2.972 0 50 IFAA Cc1ccc2c(c1)c1c(n2C[C@H](O)CN2C(=O)c3ccccc3S2(=O)=O)C(=O)CCC1 1132641 JFEFOYVYYQLBRW-HNNXBMFYSA-N 438.505 2.674 0 50 IFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)[C@@H]1COc2c(cccc2OC)C1 11932866 OSVWEVAFMBQPMS-NRFANRHFSA-N 429.605 2.901 0 50 IFAA COc1ccc(CN2CCC3(CC2)C(=O)N(CCN(C)C)C(=O)N3CCC(C)C)cc1 14740389 RLIVCDVAVHDDLM-UHFFFAOYSA-N 430.593 2.902 0 50 IFAA CCOC(=O)N1CCN(C(=O)CC[C@]2(Cc3ccc(SC)cc3)CCC(=O)N2)CC1 14992450 UBXBSEFPBYWZRZ-QFIPXVFZSA-N 433.574 2.681 0 50 IFAA CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 20538390 SBXKHZYLHQJQQV-QGZVFWFLSA-N 445.511 2.602 0 50 IFAA COc1cc(I)c(Cl)cc1C(=O)N[C@@H](CO)Cc1ccccn1 170610158 IBSZHEPBKDHKFK-LLVKDONJSA-N 446.672 2.682 0 50 IFAA COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NC[C@@H](O)C(F)(F)F)C(=O)OC2 221938296 TWWWRUAKAABLOO-LZTOIUFZSA-N 431.407 2.688 0 50 IFAA C[C@H](NC(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)c1ccc2c(c1)OCCO2 227829825 TWIMERKDCUROMU-BEVDRBHNSA-N 447.491 2.909 0 50 IFAA COc1ccc2c(c1)CCOC21CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1 2356139128 BJYDRLLWWHQBDJ-UHFFFAOYSA-N 429.538 2.950 0 50 IFAA CCOc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 912553 WUBQFPWUUSLDSO-SFHVURJKSA-N 431.558 2.589 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccc(C)c(F)c2F)cc1C 11662675 OYRBVRAVWYBJHW-SFHVURJKSA-N 431.483 2.597 0 50 IFAA O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CCN(c2ccccn2)CC1 11817497 RVKVOMSJLUYJAG-UHFFFAOYSA-N 434.540 2.824 0 50 IFAA Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc34)C2)CC1 55245136 ZCIMBUORWUHLGO-IBGZPJMESA-N 431.540 2.658 0 50 IFAA Cc1cn2nc(-c3nc([C@H]4CCCN(C(=O)c5ccc(C)c(F)c5)C4)no3)cc2c(=O)[nH]1 169780412 DQFOIPSLXGELPV-HNNXBMFYSA-N 436.447 2.848 0 50 IFAA COc1cc(I)c(Cl)cc1C(=O)N[C@H](CO)Cc1ccccn1 170610157 IBSZHEPBKDHKFK-NSHDSACASA-N 446.672 2.682 0 50 IFAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1 239159524 MGSFTDAWOKSRAH-KJWYOANISA-N 426.473 2.575 0 50 IFAA CCC[C@]1(C2CCN(Cc3cccnc3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 299764911 WFHAHICNDFHHDQ-XUZZJYLKSA-N 427.593 2.869 0 50 IFAA C[C@@H](Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)c1ccc(OC(F)F)cc1 468728178 ZEACRLVZTBIHIB-CYBMUJFWSA-N 425.457 2.727 0 50 IFAA CCn1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)nc2cc(F)ccc21 784112331 URQRBLHQNIRBND-QFIPXVFZSA-N 439.447 2.610 0 50 IFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC[C@]3(CC2)CNC(=O)O3)ccc1F 1704313182 HUMDBKKXAQSUOZ-NRFANRHFSA-N 432.452 2.660 0 50 IFAA CN(C(=O)C1SCCS1)[C@@H](CNC(=O)c1cc(C(N)=O)cs1)c1ccccc1 1875346951 FJAXWCWYFMZWQP-AWEZNQCLSA-N 435.596 2.583 0 50 IFAA Cc1cc(CN(C)C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3ccncc3)C2=O)n[nH]1 11911929 IAJUJKNWIMQAQR-VWLOTQADSA-N 445.523 2.667 0 50 IFAA CO[C@@H](C(=O)Nc1ccnn1C1CCN(C(=O)C2=C(C)OCCO2)CC1)c1ccccc1 11957571 NMCQUBIXOULWRU-OAQYLSRUSA-N 440.500 2.651 0 50 IFAA CCc1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)on1 12575443 KCVIPSIRSRZWCK-QHCPKHFHSA-N 432.524 2.911 0 50 IFAA CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)Cn2ccc(C)n2)CC1)c1ccccc1 12756154 DNASBOLDNQYHOK-QFIPXVFZSA-N 436.516 2.578 0 50 IFAA CC[C@@H](C)CNc1cc(C(=O)NCCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 14746791 SLCHMPZVHFKGQI-GOSISDBHSA-N 447.605 2.946 0 50 IFAA O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1ccccc1 15222330 ZZWUKEMQKMEPAB-UXHICEINSA-N 439.464 2.971 0 50 IFAA CC1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3Br)s2)CC1 15941965 WJXOAIYIBNJNFY-UHFFFAOYSA-N 445.364 2.974 0 50 IFAA CCOc1ccc(CN2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1CO 23153281 QGJZTMJWDPTNFN-QHCPKHFHSA-N 428.573 2.963 0 50 IFAA O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55036154 YZUBXRWRTVDOCJ-OAQYLSRUSA-N 425.504 2.910 0 50 IFAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2)cc1 251264407 HXRQYVSXVJSWCD-YPSHPOCOSA-N 447.645 2.926 0 50 IFAA CN(Cc1nccn1C)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O 299764228 QVHDYGPVLMHUDN-OAQYLSRUSA-N 448.445 2.647 0 50 IFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1ncnc3sccc13)C2 1857681158 AFBRELUUNMJTQS-HYFFOGBASA-N 430.574 2.952 0 50 IFAA C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)Nc1cccc(OCCN2CCCC2)c1 2325721565 IRJCXOSBBAYTSQ-KRWDZBQOSA-N 429.492 2.823 0 50 IFAA C[C@H]1Cc2ccccc2N(C(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325901471 HNCSPVMRHNTKTR-XOBRGWDASA-N 432.480 2.678 0 50 IFAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 674590 XWSAMDFCCYQWGE-UHFFFAOYSA-N 441.303 2.600 0 50 IFAA COc1ccc([C@H]2C3=C(OC(C)=O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 852626 XEAXZULFNGQILB-SFHVURJKSA-N 443.459 2.647 0 50 IFAA biogenic Cc1c(C(=O)N2CCC(O)CC2)sc2ncnc(NC[C@H]3COc4ccccc4O3)c12 12132164 AAYUDXZRFMGLRE-HNNXBMFYSA-N 440.525 2.849 0 50 IFAA COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 12612103 DQMVVNKUHHXWRT-ZDUSSCGKSA-N 437.495 2.547 0 50 IFAA O=C(NC[C@@H](c1ccccn1)N1CCOCC1)c1cc(COc2cncc(Cl)c2)on1 20992742 LMILGJDERGKHOK-FQEVSTJZSA-N 443.891 2.500 0 50 IFAA CCOc1ccc2nc(N3CCC[C@H](N(C)CCN4CCOCC4)CC3)nc(C)c2c1 23339308 XSJWXLWCYORPAO-FQEVSTJZSA-N 427.593 2.960 0 50 IFAA O=C(NCCCn1ccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 245255831 LOEGQDNMRKFIIN-QAQDUYKDSA-N 438.981 2.828 0 50 IFAA COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CCN(Cc1ccoc1)CC2 299760280 FIEFHMBFJFNODT-UHFFFAOYSA-N 437.496 2.693 0 50 IFAA CC1(C)C[C@H](NC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c2ccccc21 499429314 BDCKCBAVHWXZNI-LZJOCLMNSA-N 447.535 2.561 0 50 IFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 670459517 IEMDFALNPWKFBS-BAOIDCNMSA-N 427.552 2.683 0 50 IFAA COC(=O)[C@@H](NC(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C)c(C)c1 1875261456 JZGLXIUVQMBZBT-UBQCRTFRSA-N 442.537 2.887 0 50 IFAA O=C1C[C@H]2CCCCN2CCCN(C(=O)CCc2nc3ccccc3[nH]2)CCCCN1 2100534109 UIUPUXJNYPUTQU-LJQANCHMSA-N 425.577 2.869 0 50 IFAA CCn1c(O)nc2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C4(CCC4)C3)ccc2c1=O 2325864383 NHXLUIJUTMXYAF-OAHLLOKOSA-N 442.516 2.784 0 50 IFAA CCc1ccccc1S(=O)(=O)N=[S@@](C)(=O)C1CCN(C(=O)c2ccns2)CC1 2332239069 VJIKWCOCJKZXOL-MHZLTWQESA-N 441.600 2.797 0 50 IFAA Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n(-c2ccccc2)n1C 703931 LIDVJQUZMYHFIT-UHFFFAOYSA-N 440.525 2.521 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(C)cc2)cc1 912603 QSGXAYZKXUPINO-UHFFFAOYSA-N 425.510 2.910 0 50 IFAA C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1 2854567 PQCNKBGDMYMXOV-LLVKDONJSA-N 430.267 2.597 0 50 IFAA O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1CCCn1ccnc1 6530636 YBNRLCUXQBXSJX-UHFFFAOYSA-N 441.491 2.912 0 50 IFAA O=C(NCCCN1CCCC1=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 9134102 GWAUVKRNXHFPRY-SWLSCSKDSA-N 425.411 2.879 0 50 IFAA C[C@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2 11813628 VLRRUWPEHSIUNS-HNNXBMFYSA-N 448.974 2.648 0 50 IFAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(Cc3ccc(Cl)s3)C[C@H]12 14742002 ZIOVBUDRRKIOPA-ZWKOTPCHSA-N 428.945 2.637 0 50 IFAA CN1CCCN(C(=O)c2nc3sccn3c2CNC[C@@H]2OCCc3ccccc32)CC1 20211380 PECNFCSSJSAMGW-FQEVSTJZSA-N 439.585 2.577 0 50 IFAA COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c(OC)n1 55153053 IMHLVXLVMJRSGR-KRWDZBQOSA-N 428.508 2.665 0 50 IFAA COc1ccccc1/C=C/CN1CCNC(=O)[C@H]1CC(=O)NC1C2CC3CC(C2)CC1C3 55568916 XMBPXMDEQWCWOY-VGTNWMPVSA-N 437.584 2.840 0 50 IFAA C[C@@H]1C[C@]2(C[C@](C)(C(=O)CSc3nnc(-c4ccccc4Cl)[nH]3)OC2=O)C(=O)O1 229978999 FTZRUURQZZDBSC-APTHUUICSA-N 435.889 2.814 0 50 IFAA CC[C@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 239653998 BMCAAMLCQWKRLN-JKSUJKDBSA-N 430.526 2.898 0 50 IFAA CCc1nc2ccc(Cl)cn2c1C(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 462414818 YYUAZHRPMUULKL-UHFFFAOYSA-N 446.960 2.999 0 50 IFAA COc1cccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccc(Cl)s4)C[C@@]3(CO)C2)c1 1772808401 PCHDEYDISGTNAL-DNVCBOLYSA-N 442.990 2.525 0 50 IFAA COc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)cc1Oc1cccc(OC)c1CN 1857740638 RUGXYRVCXDASTR-SZMVWBNQSA-N 441.528 2.546 0 50 IFAA CN(Cc1ccc(OC(F)F)cc1)C(=O)CS(=O)(=O)Cc1conc1C(F)(F)F 2325870779 ONAFZZANFLIBHB-UHFFFAOYSA-N 442.362 2.868 0 50 IFAA O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccco1 784732 HOVZVPVRMGSLPG-NRFANRHFSA-N 447.491 2.732 0 50 IFAA COc1cc(C(=O)NCCc2cn3ccccc3n2)ccc1OC1CCN(C(C)=O)CC1 11935239 UGGAHVMGBXITTC-UHFFFAOYSA-N 436.512 2.705 0 50 IFAA COCCN1C(=O)C[C@](CC(=O)N(C)CCc2ccccc2)(c2ccccc2F)C1=O 11980566 KNHAIZCTWUKRFN-XMMPIXPASA-N 426.488 2.560 0 50 IFAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(C(=O)OC)cc1)CC2 14747149 RNWLXLOUQWGQJO-UHFFFAOYSA-N 436.512 2.687 0 50 IFAA COc1cccc(CN(C)Cc2cnc(S(=O)(=O)CC3CC3)n2C[C@@H]2CCCO2)c1 15065885 FYFYMFHIPNOGBO-NRFANRHFSA-N 433.574 2.886 0 50 IFAA CCNS(=O)(=O)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 17098194 JUOJCXDXQIHLKJ-UHFFFAOYSA-N 432.615 2.936 0 50 IFAA COc1ccc(C(=O)N2CCC(n3cncc3C)CC2)nc1I 170617755 HLWICAZFVBTKPW-UHFFFAOYSA-N 426.258 2.677 0 50 IFAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5F)CC4)c3CO2)cc1 263617764 PNHXCJLYWGYTNS-NRFANRHFSA-N 437.475 2.660 0 50 IFAA CC[C@H](NC(=O)N1CCN(Cc2cn3ccccc3n2)CC1)c1nnc2n1CCCCC2 489440472 PMSKIUBPRQGVRK-IBGZPJMESA-N 436.564 2.631 0 50 IFAA Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](O)c3ccncc3)cc2)cc1C 750495980 MHWPMGUIUPGLRX-OAQYLSRUSA-N 425.510 2.963 0 50 IFAA COc1cc2c(cc1OC)CN(C(=O)[C@H](Cc1ccccc1)n1cccc1)[C@H](C(N)=O)C2 888105467 PFOZNEFRNOVDLO-SFTDATJTSA-N 433.508 2.728 0 50 IFAA Cc1cc(C[C@@H]2CN(Cc3ccccc3CS(=O)(=O)c3ccccc3)C[C@H]2O)on1 1704358437 MEBIDWHHEQOSIQ-NFBKMPQASA-N 426.538 2.992 0 50 IFAA Cc1cnc2c(C(=O)N3CC4(CCC4)C[C@H]3CNC(=O)c3cccc4c3COC4)cnn2c1 1875358778 JPBBKXJJQDYYCY-SFHVURJKSA-N 445.523 2.883 0 50 IFAA O=C(Nc1c(-c2ccncc2)nc2ccccn12)c1nc(N2CCOCC2)ncc1Cl 2325745900 KSRAODGPNSEIBN-UHFFFAOYSA-N 435.875 2.929 0 50 IFAA Cc1ccnc2c(S(=O)(=O)NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cccc12 2325819886 SZUMDLBTAFOBJK-AEFFLSMTSA-N 437.521 2.958 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc([C@@H]3Cc4ccccc4C(=O)O3)n2)cc1 986580 JQCSNXGCIZXKDN-IBGZPJMESA-N 438.465 2.690 0 50 IFAA COCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 3464920 HRNPXFGAEYQJPD-UHFFFAOYSA-N 445.368 2.989 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 6353888 VWSRTAMLXLLJBF-DPWKNNTCSA-N 439.924 2.847 0 50 IFAA O=C(c1ccco1)N1CCN(C(=O)c2ccc(C[S@](=O)c3ccc(F)cc3)o2)CC1 9115771 VXMUTHREXWTYNY-SSEXGKCCSA-N 430.457 2.918 0 50 IFAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCSc1nc2ccccc2s1 9313114 XZXDMXBZOJMRAJ-UHFFFAOYSA-N 442.570 2.816 0 50 IFAA CCOC(=O)C1CCN(C(=O)CNC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)CC1 12408165 PRHPVCXWYRXSFB-UHFFFAOYSA-N 446.935 2.691 0 50 IFAA O=C(NCCN1CCCCC1=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12701874 KRVDHBQKDTVHJG-INIZCTEOSA-N 425.451 2.573 0 50 IFAA COc1cc(CN(C)Cc2ccc3nonc3c2)ccc1OC[C@H](O)CN1CCCC1 14958690 DOBAPHGHVDVYOZ-LJQANCHMSA-N 426.517 2.699 0 50 IFAA CC(C)Cn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c(C(=O)N2CCCCC2)c1 14994777 ZAQDLOFAWQHDJH-UHFFFAOYSA-N 439.512 2.789 0 50 IFAA COc1ccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cc1OC 95641933 UPFVAHVWLNBVSG-UHFFFAOYSA-N 439.497 2.673 0 50 IFAA Cc1sc(C(=O)O[C@@H](C(N)=O)c2cccc(Br)c2)cc1CS(C)(=O)=O 2325711834 WSKYFJKZWMGPTL-CQSZACIVSA-N 446.344 2.747 0 50 IFAA COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)cc1 1059781 UZUASINYGWKBPG-UHFFFAOYSA-N 438.933 2.828 0 50 IFAA COc1ccc(CCNC(=O)Cn2nnc(-c3ccc(C(F)(F)F)cc3)n2)cc1OC 1431305 ILEIHAWOGYTTHA-UHFFFAOYSA-N 435.406 2.735 0 50 IFAA O=C(NCCCNC(=O)c1cncc(Br)c1)c1cncc(Br)c1 2306216 FQEUHYJICDVQED-UHFFFAOYSA-N 442.111 2.552 0 50 IFAA O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 9355822 IMSNPBPYIBCKND-CRAIPNDOSA-N 425.460 2.726 0 50 IFAA COc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)c(OC)c1 12481017 OQLBXCNDNWQUDD-HSZRJFAPSA-N 447.535 2.864 0 50 IFAA O=C([C@@H]1CCCO1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 14993695 KRCUNLWBPDWBSI-SSYIADELSA-N 437.584 2.652 0 50 IFAA O=C(NC[C@H]1CCCN(C(=O)c2cccc(N3CCNC3=O)c2)C1)c1cc2ccccc2[nH]1 15075064 XPTHILAFZZSPJT-QGZVFWFLSA-N 445.523 2.980 0 50 IFAA CC(=O)N1CCN([C@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)CC1 19835469 SFUFUDMEWVZCGF-IBGZPJMESA-N 436.581 2.722 0 50 IFAA O=C(COC(=O)c1ccccc1)Nc1cccc(NC(=O)COC(=O)c2ccccc2)n1 23549915 MJWGNFKVCCDKOZ-UHFFFAOYSA-N 433.420 2.673 0 50 IFAA CC[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)C1=O 170595565 BSWDYLNYWCIHLZ-SBUREZEXSA-N 427.501 2.622 0 50 IFAA CCC1(CC)CN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)c(C)c2)C(C)C)CC[S@]1=O 170597531 QDGLQFZEMFPFIU-WHLCRQNOSA-N 442.647 2.756 0 50 IFAA CCc1csc(NC2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)n1 170598404 CVAJEOISIDHEDZ-UHFFFAOYSA-N 434.587 2.863 0 50 IFAA N[C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3nn(-c4cc(F)cc(F)c4)c4c3CCC4)C2)C1 1775989003 YNOOYVZJONGYSN-AVBTWRTFSA-N 430.499 2.998 0 50 IFAA COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1cc2c(cc1Cl)OCO2 815807 OUEVTCJJWGCRMB-LBPRGKRZSA-N 435.860 2.761 0 50 IFAA Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)n1 72442401 PCIONOCTNNDWOT-UHFFFAOYSA-N 445.527 2.930 0 50 IFAA COc1ccc(OC[C@H](O)CN(Cc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 245229482 YWOCTZSRUMJIJE-ZWKOTPCHSA-N 439.961 2.778 0 50 IFAA CN(CCCNC(=O)C1CCC1)C(=O)C(=O)Nc1ccc(CN2CCc3ccccc32)cc1 429878618 TUGFOZLDZLTLSX-UHFFFAOYSA-N 448.567 2.953 0 50 IFAA Cn1c(=O)c2cc(NC(=O)N3CCC[C@]4(CCCc5ccccc54)C3)cnc2n(C)c1=O 440256665 PHCQWOLBLRDQSQ-XMMPIXPASA-N 433.512 2.534 0 50 IFAA O=C(Nc1nc2cc3c(cc2s1)OCCO3)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 461798408 UEZXMJJHUVJLFU-HNNXBMFYSA-N 445.522 2.859 0 50 IFAA Cc1ccccc1[C@@H]1CCN(C(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1 468853803 FMYIZXZBYIORKA-XMSQKQJNSA-N 432.524 2.861 0 50 IFAA O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1 1875255965 UIDIHRFUMKXMNO-FQEVSTJZSA-N 443.511 2.737 0 50 IFAA O=C(N[C@H]1CCN(C(=O)COc2ccccc2)C1)c1cc(COc2ccc(F)cc2)on1 1875334089 XPAUJODTPZTBNO-KRWDZBQOSA-N 439.443 2.802 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2OC)cc1 785479 RGEKIVWPLWSVCK-UHFFFAOYSA-N 427.482 2.933 0 50 IFAA CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)cc1 1108572 VJQGOBNEODUFJO-HNNXBMFYSA-N 434.514 2.958 0 50 IFAA CCc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cc1 11697283 ZFHGBZKCCCACSV-UHFFFAOYSA-N 438.557 2.997 0 50 IFAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)Cc2cnc3ncnn3c2)cc1 12707746 RLVHVZHBPIUDKF-LJQANCHMSA-N 431.500 2.691 0 50 IFAA Cc1nc(C)c(CC(=O)N2CCc3c(c(C(=O)N(C)C)nn3CCC(F)(F)F)C2)s1 14538438 BNESUARKYQJOMV-UHFFFAOYSA-N 443.495 2.738 0 50 IFAA COc1ccc2c(c1)O[C@H](C)CN(CCC(=O)NCCc1n[nH]c(-c3ccccc3)n1)C2 15006170 BTCXWBBBPAQBMW-QGZVFWFLSA-N 435.528 2.812 0 50 IFAA O=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2ccccc2)CC1 15345815 XFWKQZOICQQCQZ-UHFFFAOYSA-N 431.533 2.963 0 50 IFAA O=S(=O)(c1ccc(NC(=S)NCc2ccccc2Cl)cc1)N1CCOCC1 16221454 PNHRLXNOKVTHND-UHFFFAOYSA-N 425.963 2.848 0 50 IFAA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCCN(C(=O)Oc3ccccc3)CC1)C(=O)C2 170615322 RLYYRRHYXJKDSG-HTAPYJJXSA-N 434.558 2.918 0 50 IFAA CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1=O 812254231 DGNNTROXRYVPJO-HSZRJFAPSA-N 444.532 2.817 0 50 IFAA O=C(O)[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC12CCOCC2 1775983683 REEUCMRMKVGUPE-GOSISDBHSA-N 434.920 2.532 0 50 IFAA COc1ccccc1/N=c1\scc(-c2cnn(C)n2)n1C[C@H]1CCCN(C(C)=O)C1 1875255801 PUGJVBUWIVKAGH-FRKCRFBYSA-N 426.546 2.845 0 50 IFAA O=C(N[C@H]1C(=O)NCc2ccccc21)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 2325877590 VIFPCUZFLKKFTK-XZOQPEGZSA-N 425.488 2.741 0 50 IFAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325886656 DOXYPNMBCGETHY-HFZDXXHNSA-N 445.519 2.642 0 50 IFAA CN(CCc1cn[nH]c1)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O 12128843 LBBVALMTHRPNMO-RUZDIDTESA-N 430.508 2.794 0 50 IFAA Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](N1CCN(C3CCCC3)CC1)C2 23232082 RMTFXKNMUDERAT-HXUWFJFHSA-N 439.579 2.907 0 50 IFAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)cc1C 169781419 LCZPZJAOKAUCDT-UHFFFAOYSA-N 430.464 2.939 0 50 IFAA CN(C)CCn1ccc(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1 477600954 XECQXSKECQBTMI-HNNXBMFYSA-N 425.320 2.679 0 50 IFAA Cn1nc(-c2nc(COc3ccc(F)cc3)nn2[C@H]2CCS(=O)(=O)C2)cc1C1CC1 1857678673 KDAHFIXUEMOIKB-HNNXBMFYSA-N 431.493 2.634 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccc(O)cc1C)C2 1857706184 CTVLXLLDDICBII-KHCICDEESA-N 430.545 2.597 0 50 IFAA Cc1nc(C)c(C(=O)N2CCCNC(=O)CC[C@@H](c3ccccc3)CCNC(=O)C2)s1 1875242111 NUWAFRJPFBMUIH-LJQANCHMSA-N 442.585 2.792 0 50 IFAA COC(=O)[C@H](NC(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(C)c(C)c1 1875261455 JZGLXIUVQMBZBT-QWDXWUACSA-N 442.537 2.887 0 50 IFAA CN(Cc1nccs1)C(=O)c1cc(NCc2ccoc2)cc(S(=O)(=O)N(C)C)c1 14536095 YJCNBYGSGSXEHU-UHFFFAOYSA-N 434.543 2.871 0 50 IFAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN([C@H]1CCSC1)CC2 14538071 JPOOZDKRRLFBEV-IBGZPJMESA-N 447.601 2.836 0 50 IFAA CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1CN(Cc1[nH]c(CC)nc1C)CC2 14539807 RHKXJFPBVZKYSS-UHFFFAOYSA-N 436.560 2.842 0 50 IFAA CCOc1ccccc1CN1CCN(Cc2cc(OC)c(O)c(OC)c2)C[C@@H]1CCO 20600428 CQOBYLAAIXDKEV-FQEVSTJZSA-N 430.545 2.877 0 50 IFAA CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 170596856 MBRLCTOYRQEFIV-WBVHZDCISA-N 439.478 2.960 0 50 IFAA C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CS(=O)(=O)C[C@@H]1CC(=O)N[C@H]1CCCC[C@H]1C 238899986 HNRQDGHEHSFNCZ-MUJBESKKSA-N 426.623 2.817 0 50 IFAA COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ncnn3C(C)C)cc2)cc1 253429684 UKNYMDCYRZXLMC-UHFFFAOYSA-N 429.502 2.598 0 50 IFAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)c2cn3cc(Cl)ccc3n2)CCCCN1 2100533967 NMXWUEMEMXYOQG-SFHVURJKSA-N 431.968 2.975 0 50 IFAA O=C1C[C@H]2CCCCN2CCCCN(C(=O)c2cccc(N3CCCC3=O)c2)CCCN1 2100533981 OFPGKISXVSDYEG-OAQYLSRUSA-N 440.588 2.800 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 653649 VFLXYRPQTHFWTK-SQWSFHKJSA-N 438.505 2.708 0 50 IFAA COc1cc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc(OC)c1OC 2350204 OYOIKXDDLOHQJX-UHFFFAOYSA-N 431.514 2.676 0 50 IFAA Cc1cc(OCC(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)ccc1Cl 9010364 FGJTVRZHVUNQSZ-UHFFFAOYSA-N 437.949 2.748 0 50 IFAA COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CC[C@H](N(C)C)C4)c3C)ncc1CC2 14987789 CXPYOCGUVKOHIF-SFHVURJKSA-N 432.528 2.521 0 50 IFAA C[C@@H](NC(=O)c1ccc(N2CCC(N3CCN(CCO)CC3)CC2)cc1)c1ccccc1 20599622 WSYXJRSOBBRYGS-OAQYLSRUSA-N 436.600 2.756 0 50 IFAA CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)N[C@@H]1c1ccc(O)cc1 84520970 UGWXCSWOPVXWNJ-HXUWFJFHSA-N 444.509 2.654 0 50 IFAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 225767907 SWQLGKBVXBXXBE-PZJWPPBQSA-N 446.592 2.682 0 50 IFAA CC(C)(CO)CNC1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 299754864 AKLQSLOOXZLRQR-UHFFFAOYSA-N 439.556 2.922 0 50 IFAA COc1cccc([C@@H](CNC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)N(C)C)c1 447125408 MDPJZKCUHOTJGZ-RTBURBONSA-N 432.471 2.681 0 50 IFAA CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C(=O)OCC)[C@]12C(=O)Nc1ccccc12 705806 DXLLVZFXTGLYEM-DEOSSOPVSA-N 434.448 2.615 0 50 IFAA biogenic CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(c23)N2C(=O)CC[C@]2(C)NC4=O)CO1 2296318 MXXNDAAWNPKBFF-JOCHJYFZSA-N 442.541 2.571 0 50 IFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Br)c1 9303625 IAHGMVZUNGMGSZ-CQSZACIVSA-N 428.308 2.846 0 50 IFAA CCN(CC)CCNC(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C 12100285 URGFZULALXWTOA-UHFFFAOYSA-N 438.532 2.727 0 50 IFAA Cc1ccc(-n2cc(CN3CCN4C(=O)[C@H](CC5CCCCC5)NC(=O)[C@H]4C3)cn2)cc1 14744743 XZZZVFUVWRKDID-XZOQPEGZSA-N 435.572 2.662 0 50 IFAA COc1ccccc1-c1cc(C(=O)NCc2ccc3c(c2)OCO3)cc(-n2cnnn2)c1 14993383 UUVIUIZJVVZKPO-UHFFFAOYSA-N 429.436 2.997 0 50 IFAA CSc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C(=O)N1CCOCC1 16651286 AIIIEQHMPXBTRR-UHFFFAOYSA-N 449.554 2.640 0 50 IFAA CN(CC(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1F)S(C)(=O)=O 170651312 JRZHZQNDGNOTKP-QGZVFWFLSA-N 429.311 2.685 0 50 IFAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2sc3ncnc(NCCOC)c3c2C)C1 299776688 KLIJFPZTAJAOJF-OAHLLOKOSA-N 433.578 2.779 0 50 IFAA CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 431650747 FWKFRWWDIAGEJB-YWZLYKJASA-N 446.511 2.859 0 50 IFAA CSCC[C@H](C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)n1c(O)nc2ccccc2c1=O 888088925 XWKIEHVJDKOHKX-QXATTWAWSA-N 431.558 2.550 0 50 IFAA O=C(c1ccc(=O)n(-c2ccc(F)cc2)n1)N1CCN(Cc2cccc3cccnc23)CC1 914849150 GSNJKDONVHSFIE-UHFFFAOYSA-N 443.482 2.878 0 50 IFAA CNC(=O)C[C@@H]1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)C1 1506417554 ROBXSSFTKCYIFB-JTQLQIEISA-N 436.481 2.612 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)N2CC(Oc3cccc(C)c3)C2)C1 1857707231 JKKMXOCSCDELIX-TVZXLZGTSA-N 441.616 2.798 0 50 IFAA O=C1NC(=O)[C@H](CCC(=O)OCc2nc3ccccc3n2C23CC4CC(CC(C4)C2)C3)N1 1875254967 RQAXILCACTVCQY-XHBUVVKHSA-N 436.512 2.993 0 50 IFAA CC(C)C[C@H]1C[C@H](C(=O)OCCN2c3cccc4cccc(c34)S2(=O)=O)CC(=O)N1 1875259710 YHJCJAXTSNSTMQ-IRXDYDNUSA-N 430.526 2.833 0 50 IFAA Cc1c(-c2cc(CN3CCC(C(=O)c4ccc5c(c4)NC(=O)CO5)CC3)on2)cnn1C 1875261145 VZQXLGDGLUSOMK-UHFFFAOYSA-N 435.484 2.809 0 50 IFAA Cc1nc(O)cc(C(=O)N2CC[C@H]([C@H]3CCCN3C(=O)c3cc(O)c4ccoc4c3)C2)n1 1875361581 WBBDOIQTKKXRJL-KBXCAEBGSA-N 436.468 2.709 0 50 IFAA CCCN1C[C@H](C(=O)N=[S@](C)(=O)C2CCN(C(=O)C[C@@H]3CC=CCC3)CC2)CC1=O 2332238459 AFNJVEPTVMLKJL-FMTUJPNVSA-N 437.606 2.607 0 50 IFAA COc1cccc2c1C1(CCN(C(=O)[C@H]3CC(=O)N(c4nccs4)C3)CC1)OCC2 2356164442 STIPDMLVUSBYMQ-INIZCTEOSA-N 427.526 2.595 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 840870 YJOCLEWXPSBMGU-UHFFFAOYSA-N 437.543 2.620 0 50 IFAA CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2c(C)nn(C)c2C)C1 12744986 IPUVOODPGZNGSJ-QFIPXVFZSA-N 433.574 2.922 0 50 IFAA CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CCN(C(=O)c1ccoc1C)C2 19226815 GANACFBQXXSJNY-UHFFFAOYSA-N 447.539 2.965 0 50 IFAA CN(CCOc1ccccc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 55254805 YRZZKAHHNXNDTI-FQEVSTJZSA-N 433.911 2.707 0 50 IFAA COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)c1 219470030 YYEWTZQPYPBALD-UHFFFAOYSA-N 447.494 2.990 0 50 IFAA CC(C)COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 239425763 VFKSJBKTHFNPEF-VDYOGFATSA-N 436.508 2.880 0 50 IFAA CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 252584931 DWKSDJRENMWCDE-DZFGPLHGSA-N 427.545 2.729 0 50 IFAA CC(C)Cn1c(CN2CCCN(S(=O)(=O)N3CCCCC3)CC2)nc2ccccc21 952975282 SQUOIEBVLCUWMA-UHFFFAOYSA-N 433.622 2.931 0 50 IFAA COC(=O)CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCCc4ccccc43)ccc21 1775964820 GBBQSZJZSHYDOQ-FQEVSTJZSA-N 442.537 2.885 0 50 IFAA CCOc1ccccc1CNC(=O)c1cnc2sc(N3CCCCCC3)nn2c1=O 8603807 WTWMYSGJFDWFJY-UHFFFAOYSA-N 427.530 2.860 0 50 IFAA CC(=O)CCC(=O)N1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(CC3CC3)C2=O)CC1 12197651 ZAJHTEMNCZKMNV-DEOSSOPVSA-N 443.519 2.677 0 50 IFAA COC(=O)c1c(NC(C)=O)c2cc(N[C@H](C)CC(C)(C)O)cnc2n1C[C@@H]1CCCO1 14534484 NOLFIUAUDLGUFS-CJNGLKHVSA-N 432.521 2.922 0 50 IFAA CC(C)N1CCC(N2CCN(Cc3cnn(-c4ccccc4F)c3)C[C@@H]2CCO)CC1 19220761 UQMFQZAVTMAPOA-QFIPXVFZSA-N 429.584 2.753 0 50 IFAA Cc1cnc(NC(=O)CCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1 22116644 CQEZFYOXEYDLJA-UHFFFAOYSA-N 445.545 2.677 0 50 IFAA COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 245242141 CKQHOCFSFLTMIJ-LVBDUCALSA-N 437.883 2.780 0 50 IFAA O=C(c1ccc2nc[nH]c2n1)N1CC[C@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1 952895327 ZWTWKBHRPYIOBO-SFHVURJKSA-N 429.362 2.749 0 50 IFAA Cc1cccc(-c2noc(CCC(=O)Nc3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)n2)c1 1529182615 WFMXECVNHDRFQR-QGZVFWFLSA-N 443.529 2.789 0 50 IFAA CC(=O)N1CCN(c2cccc(NC(=O)NC[C@H](O)c3cccc(OC(F)F)c3)c2)CC1 1875265098 YDLXHMDIRCARHM-FQEVSTJZSA-N 448.470 2.812 0 50 IFAA Nc1ncnc2c1ncn2CCC(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 1875324862 DSWLOYKOBZPPMQ-UHFFFAOYSA-N 428.456 2.664 0 50 IFAA COc1ccccc1C(=O)NC(=Cc1ccccc1)C(=O)N[C@H](CCSC)C(=O)O 2049286324 FCLVNKXOEPWSHL-QGZVFWFLSA-N 428.510 2.789 0 50 IFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)CC(C)(C)CO)C3)[C@@H]3CCCC(=O)N23)c1 2356154375 SVMKFTZPPGBMFJ-WAGURGNTSA-N 428.573 2.874 0 50 IFAA CC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 1066626 IOVKYNNZBFOQOJ-UHFFFAOYSA-N 425.304 2.911 0 50 IFAA O=C1N[C@@H]2CCCC[C@@H]2N[C@@H]1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2340416 CXEOPBGOOGVGNI-RBZQAINGSA-N 446.595 2.710 0 50 IFAA Cc1cc(C)cc(N([C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c1 2885292 KCWUEQSOFXQRMR-SFHVURJKSA-N 433.549 2.946 0 50 IFAA O=C1C[C@](CC(=O)N2CCCC[C@@H]2CO)(c2ccccc2)C(=O)N1Cc1cccs1 11964338 STAHAKFEWOPUFQ-WZONZLPQSA-N 426.538 2.709 0 50 IFAA COC(=O)[C@@H](NC(=O)CC[C@]1(Cc2ccc(F)c(OC)c2)CCC(=O)N1)c1ccccc1 12205478 YWRMCHURSPQZOI-LADGPHEKSA-N 442.487 2.836 0 50 IFAA O=C(C[C@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CCC[C@H](CO)C1 12245769 ZGHMUISCBYQPBB-NBGIEHNGSA-N 426.557 2.885 0 50 IFAA COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)CCN3CCCC3=O)C2)cc(OC)c1 14970731 WVWQCBXNQVYAFN-KRWDZBQOSA-N 431.533 2.674 0 50 IFAA COc1cc(OC)c(CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)c(OC)c1 14993637 LNGRAYYPEVEJJD-LJQANCHMSA-N 445.564 2.586 0 50 IFAA Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 16213714 QVGSPKKZVPUHCX-UHFFFAOYSA-N 429.542 2.944 0 50 IFAA COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1c(O)n2cc(Br)ccc2nc1=O 206056470 JKDLARFZVAWXSM-ZDUSSCGKSA-N 447.241 2.556 0 50 IFAA CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccccc1SC[C@]1(C)NC(=O)NC1=O 248289625 JRRREXFUOOYERK-KIMHZCHSSA-N 447.557 2.713 0 50 IFAA CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)[C@@H](Cc1ccccc1)n1cccc1 263586257 RULUKYAAVRBAJH-FCHUYYIVSA-N 447.535 2.989 0 50 IFAA biogenic O=C(NCc1cccs1)[C@@H]1CC12CCN(C(=O)Cn1c(=O)oc3ccccc31)CC2 299769450 NHXWGGSOEXIBAI-INIZCTEOSA-N 425.510 2.601 0 50 IFAA Cn1ccnc1C[C@H]1CCCN(C(=O)Cc2cc3c(cc2Br)OCCO3)C1 485271142 LQTBYVKJSWYWOL-CQSZACIVSA-N 434.334 2.978 0 50 IFAA Cn1c([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 886025661 QWUOJXGRCACRTL-QUCCMNQESA-N 431.496 2.768 0 50 IFAA C[C@H]1Oc2ccc(C(=O)CSCC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2NC1=O 1857799000 IWWVDIXGTGIEDQ-VXGBXAGGSA-N 440.477 2.924 0 50 IFAA C[C@@H](c1nc2ccccc2o1)n1cc(-c2cccc(NCC(=O)N3CCOCC3)c2)nn1 2325776792 ZUBZRIVXCBSMHZ-INIZCTEOSA-N 432.484 2.966 0 50 IFAA Cn1cc(Br)c2c(NCC3(S(=O)(=O)NC(C)(C)C)CCC3)ncnc21 2325861116 GIAZVBQOKUFRAL-UHFFFAOYSA-N 430.372 2.783 0 50 IFAA O=C1CC[C@@H](N2Cc3c(C(=O)NCc4ccc5ccccc5c4)cccc3C2=O)C(=O)N1 2325887166 WUPIFJYVXDWEDT-OAQYLSRUSA-N 427.460 2.531 0 50 IFAA C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2Cc3ccc(Br)cc3NC2=O)cc1 2325889690 JFCGPVXKYWVEQD-QGZVFWFLSA-N 428.286 2.891 0 50 IFAA CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc(OC)cc3OC)c(=O)c2c1C 791150 CUEWLZFZQVLWOF-UHFFFAOYSA-N 431.470 2.599 0 50 IFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccco3)cc2)n1 2291594 IVUWJHBGHCAVSO-UHFFFAOYSA-N 431.499 2.614 0 50 IFAA COC(=O)[C@@H](CCSC)NC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CCCC2=O 2809820 WQHLPOKIERODEL-GOSISDBHSA-N 442.537 2.689 0 50 IFAA Cc1nn(C)c(C)c1CNC(=O)c1c(CCc2ccccc2)n(CCN(C)C)c(C)cc1=O 15002433 WJSFNKRGDXTQMU-UHFFFAOYSA-N 449.599 2.784 0 50 IFAA C[C@H](c1nnnn1-c1ccccc1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 170593423 XFNQGVXODBOCNI-NFBKMPQASA-N 445.571 2.532 0 50 IFAA C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 225436043 VWMMRPOXJIMIBQ-QPJICYPMSA-N 442.512 2.980 0 50 IFAA C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229513106 AWNMUQQXYNGWOW-OXJNMPFZSA-N 431.920 2.679 0 50 IFAA CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCCc3ccccc32)o1 239351897 AAKJHFCIDJEPLO-ZWKOTPCHSA-N 446.525 2.803 0 50 IFAA CN(C(=O)NCc1cccc(NC(=O)c2ccccn2)c1)C1CCN(c2cnccn2)CC1 434263237 FHWJMYPGXOUGAN-UHFFFAOYSA-N 445.527 2.934 0 50 IFAA CC1CCN(C(=O)c2ccc(NC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)cc2)CC1 495044340 CLIWPOHHGACDRI-DEOSSOPVSA-N 434.496 2.866 0 50 IFAA O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](O)[C@](CCCc2ccccc2)(C(=O)O)C1 1875244229 FQPBWTZJLJHOOQ-ZJSXRUAMSA-N 425.481 2.645 0 50 IFAA CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(I)cc1 705217 UNYRCQYKEAODQZ-STQMWFEESA-N 432.258 2.600 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2OC)cc1 784200 XTAIQGKEPHJPHW-UHFFFAOYSA-N 430.482 2.809 0 50 IFAA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n1 955275 PMSYEFZREXPYKW-UHFFFAOYSA-N 426.454 2.609 0 50 IFAA Cc1c(NC(=O)OCCSc2nc(N(C)C)nc(N(C)C)n2)sc(=S)n1C 2989169 DHWGIJGKLHJEBY-UHFFFAOYSA-N 429.597 2.782 0 50 IFAA COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CC(Cc3ccc(F)cc3)=NO2)CC1 11812819 CSKZJLHGAVJLHT-NRFANRHFSA-N 425.460 2.506 0 50 IFAA COC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 12149681 USDNIOXSVMPXSC-NVQXNPDNSA-N 449.551 2.739 0 50 IFAA CCOC(=O)c1cnn(-c2nc3ccccc3[nH]2)c1CN1CCC[C@@H](C(=O)OCC)C1 12240614 WQKMQXMHHGPYQF-OAHLLOKOSA-N 425.489 2.700 0 50 IFAA O=C(c1cc(C2CC2)n[nH]1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccccn2)C1 14542869 FPLGQZQBLCUFCI-FQEVSTJZSA-N 437.544 2.885 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCCc3cccc(F)c3)cc2OC)CC1 19770973 SYHOMYXMXPXXEA-QHCPKHFHSA-N 445.579 2.544 0 50 IFAA COc1ccc(S(=O)(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cnn(C)c2)cc1 20602035 VFNJIYVKRRYUFR-UHFFFAOYSA-N 445.541 2.880 0 50 IFAA CC(C)c1nc2ccccc2n1CCNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O 169772696 VHQYZBCEFIKJEI-LJQANCHMSA-N 433.512 2.807 0 50 IFAA COc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1OC 169775669 KKVHTZFCOMGIOU-UHFFFAOYSA-N 436.443 2.749 0 50 IFAA C[C@H](CCc1ccccc1)NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@@]23C=C[C@H]1O3 252346983 ODIVOGBZXBNPLY-SCFZOQIBSA-N 446.503 2.839 0 50 IFAA O=C(c1ncn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCC(C(=O)N2CCCC2)CC1 263618184 RRCHCHYJTVYBNL-HXUWFJFHSA-N 426.492 2.768 0 50 IFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 428001295 PMHHFWMPSYZMPL-ZXEGQYNSSA-N 428.532 2.818 0 50 IFAA NC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccc3ccccc3c2)C1 477488512 XNTQLCFNYQHOQX-FKVLARQCSA-N 434.540 2.882 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCc2cccc(OC)c2)C1 1857689864 MUOOUAFFOTUBEC-MVERNJQCSA-N 443.632 2.957 0 50 IFAA CCOc1ccccc1CNC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(CC)C2 1857693114 IQRAQGACAPWLNF-OTNCWRBYSA-N 429.605 2.914 0 50 IFAA O=C(Cc1ccccc1)N1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 1857711780 MISBZJBCDALBGG-JOCHJYFZSA-N 426.488 2.666 0 50 IFAA Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCC[C@@](O)(Cc3nc(C(C)C)no3)C2)c(C)c1 2325757687 QGEZIAXBQTTZNL-GAJHUEQPSA-N 443.548 2.916 0 50 IFAA CC(C)Oc1ccc(Br)cc1S(=O)(=O)N1CCC2(CC1)CN(C)C(=O)O2 2325819134 UOCBKOJWZSSFRH-UHFFFAOYSA-N 447.351 2.842 0 50 IFAA COc1cc(C(=S)N2CCOCC2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 2810649 AIKRIRUGVNXZOH-UHFFFAOYSA-N 437.539 2.788 0 50 IFAA O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccc(Br)cn1 15989355 LLOMBIHMHMYJFW-UHFFFAOYSA-N 433.287 2.826 0 50 IFAA COC(=O)c1nc(NC(=O)C[C@H]2N=C(O)N(Cc3cccc(F)c3)C2=O)sc1C(C)C 252536515 IUIBDAKZLKHTFB-CYBMUJFWSA-N 448.476 2.846 0 50 IFAA O=C(Cc1ccc(OC(F)(F)F)cc1)NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 888090467 BFYYASKYXQLCNW-SJORKVTESA-N 435.446 2.525 0 50 IFAA CC(C)C(=O)Nc1cccc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)c1 952981829 OCTFKGPRYUNNQA-UHFFFAOYSA-N 429.542 2.864 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CC1=O 2325819407 DFBNMNUPRDLBSX-ZFWWWQNUSA-N 438.452 2.703 0 50 IFAA Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[S@@](=O)(=NC(=O)[C@H]2CC2(C)C)CC1 2332238574 CZFMOGDMNSYGKU-WYIRRWHOSA-N 447.586 2.795 0 50 IFAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1 815712 VVPKFWVLLGJAAJ-UHFFFAOYSA-N 437.949 2.748 0 50 IFAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2 11936712 ZKVTXUAVHQQRMM-SFHVURJKSA-N 427.568 2.954 0 50 IFAA CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2cnn4cccnc24)C3)cc1 12049552 CAOPDKMWZGCPRZ-QGZVFWFLSA-N 448.504 2.533 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2cc(C)nc3onc(-c4ccc5c(c4)OCO5)c23)CC1 13641257 SDIXPOFOUHMXKG-UHFFFAOYSA-N 438.440 2.841 0 50 IFAA CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O 19880897 GVINMWYBWOGXFB-NHCUHLMSSA-N 436.512 2.776 0 50 IFAA O=C(c1cnsn1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55271414 VLDYTUDWZVBCAF-INIZCTEOSA-N 425.480 2.984 0 50 IFAA COc1cc(OC)cc(C(=O)NCCn2ccn3nc(-c4cccc(OC)c4)cc3c2=O)c1 169777091 AFTSOOFSBCMGJB-UHFFFAOYSA-N 448.479 2.619 0 50 IFAA O=C(Cc1cn2ccccc2n1)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 170672825 ZHJLNNDMCAVVCC-QGZVFWFLSA-N 441.285 2.933 0 50 IFAA CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H](C[S@@](C)=O)c1ccccc1)c1cnn(C)c1 225330004 FCAVROKCEVKNSG-FGRKSUEESA-N 434.562 2.564 0 50 IFAA COC(=O)c1cn([C@H](CCSC)c2nc(-c3ccccc3F)no2)cc2c(=O)[nH]nc1-2 263588062 OPAQFUFMNIQODU-OAHLLOKOSA-N 443.460 2.994 0 50 IFAA Cc1c(C(=O)O)cnn1-c1ccc(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 746335173 NOGNESRKYKAWQQ-CYBMUJFWSA-N 442.497 2.741 0 50 IFAA CCC[C@]1(C(=O)O)CN(S(=O)(=O)c2ccc(-c3csc(C)n3)s2)CC[C@H]1O 1704306023 ZLOYDKCJEAWJQR-PBHICJAKSA-N 430.573 2.806 0 50 IFAA CCN(C[C@@H](C)O)C(=O)CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1875256534 ZEULNWQQPIEGSJ-OAQYLSRUSA-N 437.584 2.930 0 50 IFAA C[C@@]12CC3(N)CC(C(=O)N[C@@H]4CCN(C(=O)COc5ccccc5)C4)(C1)C[C@](C)(C3)C2 2325829714 QLXWQFZVQYPHTQ-MVOXMPNOSA-N 425.573 2.860 0 50 IFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc(Br)c1O 706411 KPZLXCIQQVWELB-ABAIWWIYSA-N 441.278 2.513 0 50 IFAA biogenic COc1cc(CN2CCC[C@@H](n3cc(C(=O)NCC(C)C)nn3)C2)cc(OC)c1OC 12283373 GFGDJUCWJOZIFX-QGZVFWFLSA-N 431.537 2.527 0 50 IFAA COC(=O)c1c(S(=O)(=O)NC2CC2)sc2c1CCN(C(=O)c1cc(C)cc(C)c1)C2 12454866 ZUAXFQOOTRIDRS-UHFFFAOYSA-N 448.566 2.791 0 50 IFAA CN(C)CCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccnc3)CC2)C1=O 14733404 RNSAKFVYFCYOHC-UHFFFAOYSA-N 449.599 2.875 0 50 IFAA COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c(OC)c1C 14883578 ADYCOUFTJMAKOC-FPOVZHCZSA-N 432.561 2.821 0 50 IFAA COCCNC(=O)[C@@H]1C[C@H](NCc2cccc(OC)c2)CN1Cc1ccccc1Cl 32578219 GYJXQBUAALLQQI-UGKGYDQZSA-N 431.964 2.844 0 50 IFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C32CC2)c1=O 104552291 GOHZYJLLGGYEMR-NNMXDRDESA-N 431.536 2.783 0 50 IFAA CC(C)COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 245380626 CZLBSBFGRXLMHU-UALGEBADSA-N 436.508 2.881 0 50 IFAA Cc1c(S(N)(=O)=O)sc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1Cl 253429411 CXTNGCTUUIWGLJ-UHFFFAOYSA-N 441.962 2.848 0 50 IFAA O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1c(N2CCOCC2)noc1-c1ccccc1 1704314968 ZWJNNCSGUKOBRR-FQEVSTJZSA-N 440.544 2.551 0 50 IFAA CCOc1ncc(C(=O)N=[S@@]2(=O)CCCN(C(=O)CC(C)(C)OC)CC2)cc1Cl 2332238549 BYFQMRDFJSDZNC-GDLZYMKVSA-N 445.969 2.789 0 50 IFAA CN(C)c1ccc(-c2ccnc(NC3CCN(C4CCS(=O)(=O)CC4)CC3)n2)cc1 2356141210 YCIZFMHIOQTGOO-UHFFFAOYSA-N 429.590 2.663 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1ccc(Oc2ccccc2)cc1 877027 JASBICOXSYMGOP-UHFFFAOYSA-N 439.493 2.983 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1F 1142055 KMGSMJDSWNVOSA-UHFFFAOYSA-N 445.472 2.753 0 50 IFAA NS(=O)(=O)c1ccc(NC(=O)CSCCOC(=O)c2cc3ccccc3o2)cc1 13401466 FCRFPTRCIBDMAW-UHFFFAOYSA-N 434.495 2.609 0 50 IFAA CC1=C(C)C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)[C@@H](C(=O)O)C1 17099030 IYVNSIOLSDVAQT-PMACEKPBSA-N 434.558 2.584 0 50 IFAA COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 20029459 TZZHJDOQGNSIJL-IBGZPJMESA-N 427.888 2.581 0 50 IFAA Cc1nn(C(F)F)cc1S(=O)(=O)N(CCc1ccc(F)cc1)Cc1ccnn1C 20602615 FTFJIYGETPFVIZ-UHFFFAOYSA-N 427.452 2.893 0 50 IFAA Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)n1 65362897 PEPHNXLDWZJYHO-UHFFFAOYSA-N 433.553 2.734 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 100083983 LHFOBMNSAPZYCO-HXUWFJFHSA-N 441.915 2.971 0 50 IFAA CCOC(=O)C1=C(CN2CCC(C(=O)C(F)(F)F)CC2)NC(=O)N[C@@H]1c1ccc(C)o1 170599761 YEFDQJWHASGIGF-MRXNPFEDSA-N 443.422 2.603 0 50 IFAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1Cl 239274651 AMXSMFQLGWWOJK-ILMNLFDSSA-N 434.275 2.772 0 50 IFAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1Cl 239274653 AMXSMFQLGWWOJK-RRTDIRACSA-N 434.275 2.772 0 50 IFAA CC(C)n1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)cc2c1=O 334162064 NMPGKMYVLWJGDI-ZIFCJYIRSA-N 429.546 2.642 0 50 IFAA O=C1CCc2cc(S(=O)(=O)NC(=O)c3ccc(Br)c(F)c3)ccc2N1 743441590 QSQPMYHJSJTTCK-UHFFFAOYSA-N 427.251 2.592 0 50 IFAA CCN(CC)[C@@H](C(=O)N1CCN(C(=O)[C@H](C)OC)CC1)c1cccc(C(F)(F)F)c1 2325827725 OOKVCYYWVHSZHD-MAUKXSAKSA-N 429.483 2.794 0 50 IFAA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c(I)c2)C1=O 6491922 YMGDJWIHPBTVDK-KPKJPENVSA-N 447.250 2.899 0 50 IFAA COc1cccc(C(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1OC 11697188 BPQKPDIMIGKLJG-UHFFFAOYSA-N 434.500 2.903 0 50 IFAA COc1ccc(C[C@]2(CCC(=O)NC[C@@H](C)Oc3cccnc3)CCC(=O)N2)c(F)c1 14887587 AMGZZQKVDZXPOP-MWTRTKDXSA-N 429.492 2.785 0 50 IFAA COC(=O)c1c(OC2Cc3ccccc3C2)cc(=O)n2c1CCN([C@H]1CCSC1)CC2 14991217 KQXXLGRBEKCWFS-SFHVURJKSA-N 440.565 2.545 0 50 IFAA CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1cn(C)nc1C(=O)NCc1ccco1)[C@H]2C(=O)O 229985482 MGSFTDAWOKSRAH-KNCCTNLNSA-N 426.473 2.575 0 50 IFAA C[C@@]12C(=O)N(CCCCCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@@]4(C)C3=O)C(=O)[C@@H]1[C@H]1C=C[C@H]2C1 239403189 RPIRGQBOYWGCNC-HUSDEIEVSA-N 436.552 2.941 0 50 IFAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Oc1ccccc1C(=O)Oc1ccccc1 245226316 QJUQTUHYQBIKIC-JKUBGBAOSA-N 443.455 2.864 0 50 IFAA CC(=O)O[C@@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@@]1(C)[C@@H]3CC[C@H]1C1=CC(=O)OC1 257349862 RXXZRNNOAJTUSW-NDJGQYKFSA-N 446.540 2.626 0 50 IFAA C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 446598327 FDJIZPIEKPXDDQ-PUAOIOHZSA-N 443.507 2.640 0 50 IFAA COc1cccc(C(=O)N2CCC(C(=O)Nc3c(N4CCCC4)nn(C)c3C)CC2)c1 1506407337 NADKTLQPLVQEME-UHFFFAOYSA-N 425.533 2.828 0 50 IFAA COCCNc1nc(O)c2c(n1)NC(=O)[C@H](CC(=O)Nc1cccc(Cl)c1Cl)C2 1848443027 SHHPAFGIMXARHQ-VIFPVBQESA-N 440.287 2.687 0 50 IFAA O=C(N1CC[C@H](Oc2ccncc2)C1)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 1875264944 AIWCIHPBBROPOT-IBGZPJMESA-N 442.541 2.502 0 50 IFAA C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325886659 DOXYPNMBCGETHY-RLWLMLJZSA-N 445.519 2.642 0 50 IFAA O=C(O)CNC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccco2)cc1 2818993 LATCGPDMPIZEAU-AQTBWJFISA-N 433.420 2.504 0 50 IFAA CSCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cc2c(cc1Br)OCO2 9559866 XAZGKQBBFVFNPY-LLVKDONJSA-N 428.304 2.962 0 50 IFAA COc1ccc(CN(Cc2ccccn2)C(=O)c2cnc3ccccn3c2=O)cc1OC 11791390 GDEARIVODZQFRK-UHFFFAOYSA-N 430.464 2.949 0 50 IFAA COc1cccc(CN2C[C@@H](OCC3CC3)CN(C(=O)CCc3ccncc3)CC2=O)c1 14741186 FSUOQFSFQRDWJC-HSZRJFAPSA-N 437.540 2.689 0 50 IFAA C[C@H](NC(=O)Cn1cc(NC(=O)COc2ccccc2)cn1)c1cnn(-c2ccccc2)c1 14995909 HNIGLFMWZYYUMY-SFHVURJKSA-N 444.495 2.964 0 50 IFAA O=C(COc1ccccc1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 19902875 JQCSGLIJHGDDJY-UHFFFAOYSA-N 443.503 2.659 0 50 IFAA Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc(N3CCN(C)CC3)ncn2)CC1 72117349 LEZOCDDNNJXQTL-UHFFFAOYSA-N 429.956 2.544 0 50 IFAA CC(=O)c1cccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 239165172 NQAKXRMWKLZAAY-SJUNHDGSSA-N 432.398 2.795 0 50 IFAA CN1CCN([C@@H](c2ccc(Br)cc2F)c2sc3ncnn3c2O)CC1 252484711 GFGDUVDIIJYEGC-ZDUSSCGKSA-N 426.315 2.735 0 50 IFAA Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 804406514 LPPRAYGWISMRFI-IBGZPJMESA-N 428.510 2.920 0 50 IFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)NCCn1nc(-c2ccccc2)ccc1=O 1506419101 XJCKLVFGZHUGLO-UHFFFAOYSA-N 442.522 2.914 0 50 IFAA CN1CCN([C@H]2CCN(C(=O)Nc3ccc(C(=O)NCCc4ccccc4)cc3)C2)CC1 1875311101 MSVGNGLRTRJDBI-QHCPKHFHSA-N 435.572 2.513 0 50 IFAA COc1cc(OC)c([C@@H]2CCCN2C(=O)c2cccc(-c3cnnc(=N)[nH]3)c2)c(OC)c1 1875351491 XXVIFKYVPIPAHV-SFHVURJKSA-N 435.484 2.954 0 50 IFAA COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CCN([C@@H]1CCSC1)CC2 14538070 JPOOZDKRRLFBEV-LJQANCHMSA-N 447.601 2.836 0 50 IFAA O=C(NCCc1cccc(Cl)c1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccc(F)cc1 14884273 YNZMFBOSBIYHHH-UXHICEINSA-N 428.899 2.640 0 50 IFAA Cn1c(CCNC(=O)CC[C@@]2(Cc3ccc4c(c3)OCO4)CCC(=O)N2)nc2ccccc21 15003920 ZVRADGLCVHTJPU-VWLOTQADSA-N 448.523 2.632 0 50 IFAA O=C1CC[C@@H](C(=O)N2CCCN(Cc3ccncc3)CC2)CN1CCc1cccc(F)c1 15074741 XMWZAMAKPOCDME-JOCHJYFZSA-N 438.547 2.736 0 50 IFAA O=S(=O)(N[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 18269977 HCBUFVLQTOCRFR-HDICACEKSA-N 430.498 2.533 0 50 IFAA CCN1CCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3c2c2ccccc2n3C)CC1 58042686 RMKSVOYPBVQKAB-UHFFFAOYSA-N 445.523 2.664 0 50 IFAA O=C1[C@@H]2CC[C@@]3(Br)C(=O)[C@@]4(Br)CC[C@]1(Br)[C@@H]4[C@@H]23 216518592 ZUTQDYLILJFSLV-GCKSJTGFSA-N 426.930 2.989 0 50 IFAA O=C(C[C@]1(c2ccccc2)CC(=O)N(CCn2ccnc2)C1=O)N1CCc2ccccc2C1 299781284 RJDHQAJCXKJWRK-AREMUKBSSA-N 442.519 2.555 0 50 IFAA NC(=O)C[C@H]1CCCN(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 472273132 FSVYKRVYZDNZLT-OAQYLSRUSA-N 445.567 2.802 0 50 IFAA COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)CCn1cnc3ccccc31)C2 952979436 HAJDZOMUJFJEAW-OTPAQWSUSA-N 440.588 2.792 0 50 IFAA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)C1 1339064290 YTWLXCSEJHZBSI-VUMVONDWSA-N 441.576 2.537 0 50 IFAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)o1 1857800088 KBBDGFNALDMIRK-UHFFFAOYSA-N 444.465 2.885 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)N[C@@H]1CCc2nc[nH]c2C1 1875288234 SZAUCYDVKNRBEG-LSDHHAIUSA-N 443.515 2.558 0 50 IFAA Cc1cncc(CC(=O)N2CC[C@H]([C@@H]3CCCN3C(=O)Cc3ccc4c[nH]nc4c3)C2)c1 1875359910 SRRYKVLELJMFSE-GMAHTHKFSA-N 431.540 2.891 0 50 IFAA CC(C)C(=O)N[C@H]1CCCN(C(=O)[C@@]2(Cc3cccc(Br)c3)CCNC2)C1 2325828566 LEVGGMJZDXUJOY-GHTZIAJQSA-N 436.394 2.735 0 50 IFAA NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)cc1 1066805 XMDWFGIKQVQVIC-UHFFFAOYSA-N 448.751 2.877 0 50 IFAA O=C(CSc1nnnn1-c1ccccc1)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O 2405555 FSIRURUDQQUJEB-CYBMUJFWSA-N 447.480 2.689 0 50 IFAA aggregator COC(=O)[C@H](CCSC)NC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CCCC2=O 2809819 WQHLPOKIERODEL-SFHVURJKSA-N 442.537 2.689 0 50 IFAA COc1ccc(CN(C)[C@H]2CCc3c(c(C(=O)N4CCSCC4)nn3C)C2)cc1OC 14542044 CRCMFZXZWXRCQP-KRWDZBQOSA-N 444.601 2.616 0 50 IFAA COC(=O)C[C@H]1C(=O)NCCN1Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 39447924 PAINZIUKZRXZHQ-NRFANRHFSA-N 436.487 2.850 0 50 IFAA CC(=O)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 169752349 BSSQQRMYWBMQFS-UHFFFAOYSA-N 434.427 2.636 0 50 IFAA CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@H]1CCCc2ccccc21 252443950 BYPPENLLCHBPQV-OFVILXPXSA-N 434.540 2.970 0 50 IFAA COCCOC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@@H]1c1cccs1 254387303 SFBGHANYRHUWLH-QGZVFWFLSA-N 446.575 2.548 0 50 IFAA CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 431650746 FWKFRWWDIAGEJB-QRWLVFNGSA-N 446.511 2.859 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccccc1C(=O)O)C2 1857686532 AILPXGZHRCZEDG-YOSAUDMPSA-N 430.545 2.641 0 50 IFAA CO[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)C1 12159847 CMHPTWFDODBOSN-NLFFAJNJSA-N 435.524 2.614 0 50 IFAA COCC(=O)Nc1cccc(-c2nc(CNC(=O)c3c4c(nn3C)CCCC4)c(C)o2)c1 14878930 NGQCNFNDROVKKG-UHFFFAOYSA-N 437.500 2.777 0 50 IFAA O=C(/C=C/c1ccco1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 19901675 MTIRFOKLWNTEMU-MDZDMXLPSA-N 429.476 2.886 0 50 IFAA Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3cccc(Cl)c3)c(=O)n(C)c2n1 20345152 OOGKDEQMRXSNEY-UHFFFAOYSA-N 426.904 2.731 0 50 IFAA COc1ccc(CNCc2ccc(Cl)s2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 22852379 CYXFQYPLKDCLGW-KRWDZBQOSA-N 440.009 2.687 0 50 IFAA CN(Cc1cc(-c2ccccc2)no1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 55061086 CXGCCZWQAIGIOV-QFIPXVFZSA-N 436.487 2.830 0 50 IFAA CC(C)COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 239425760 VFKSJBKTHFNPEF-DLCHMEAZSA-N 436.508 2.880 0 50 IFAA O=C1[C@@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]21 245231858 KSOCXRSCFJVURG-KCWZSGSESA-N 436.552 2.916 0 50 IFAA C[C@H](NC(=O)C[C@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1)[C@@H](C)N1CCOCC1 253420120 FWAPOQRISJRFJB-RZQQEMMASA-N 444.403 2.982 0 50 IFAA COc1ccc(CC(=O)N[C@H]2CC[C@@H](n3cc(C(=O)NCC(C)C)nn3)CC2)cc1OC 257372113 UJHYVMSZMCDMNM-HDICACEKSA-N 443.548 2.524 0 50 IFAA Cc1ccc(OCC(=O)N2CCN(Cc3nnn4c3CO[C@H](c3ccccc3)C4)CC2)cc1 263615437 CKBXJQSCKXKCBO-DEOSSOPVSA-N 447.539 2.581 0 50 IFAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)C1 494890801 GMBIMDSAUGFGCG-NKUCIUESSA-N 443.975 2.735 0 50 IFAA O=C1CC[C@@H](CN(Cc2ccncc2)C(=O)CCSc2ccc3c(c2)OCCO3)N1 1506400887 GUDMMCLORNBAQT-KRWDZBQOSA-N 427.526 2.642 0 50 IFAA O=C(Nc1cccc(OCC(F)F)n1)[C@H]1C[C@@H]1C(=O)Nc1cccc(OCC(F)F)n1 2325714235 VHOLGMFIPIMAFF-QWRGUYRKSA-N 442.369 2.978 0 50 IFAA C[C@@H](Sc1nc(CC(=O)Nc2nnc(C3(C(F)(F)F)CC3)s2)cs1)C(N)=O 2325852476 HMMHEGZWYNFFHJ-ZCFIWIBFSA-N 437.494 2.736 0 50 IFAA O=C1Nc2cc(Br)ccc2C[C@@H]1NC(=O)[C@H](O)Cc1c(F)cccc1Cl 2325860685 PQPXVHSTZIXHFM-JKSUJKDBSA-N 441.684 2.825 0 50 IFAA CC(C)[C@H]1c2ccccc2CCN1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896382 XKRINYDQVIHZNC-GMAHTHKFSA-N 445.519 2.843 0 50 IFAA COc1ccc2c(c1)CCOC21CCN(C(=O)c2ccc(OC)c(OCCN)c2)CC1 2356137208 SFKSCWPJQNYOAU-UHFFFAOYSA-N 426.513 2.746 0 50 IFAA O=C(NCc1cccnc1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1 8660772 GQFIFLGWAUGHKZ-UHFFFAOYSA-N 438.347 2.949 0 50 IFAA COC(=O)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)cc1 8915372 WJJKXBNBEFDEDD-VCBZYWHSSA-N 440.349 2.716 0 50 IFAA CCOC(=O)C1=C(CSc2nnc(N)s2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 11151730 LWCFKQVCWKKRNF-GFCCVEGCSA-N 425.923 2.737 0 50 IFAA Cc1c(Cl)cccc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 19810690 BLEWJKYJHLYSKM-UHFFFAOYSA-N 435.977 2.759 0 50 IFAA Cc1c(CN2CCN(Cc3cccs3)[C@H](CCO)C2)c(=O)n(-c2ccccc2)n1C 39405441 PZPFVQZOCFSIJC-HXUWFJFHSA-N 426.586 2.615 0 50 IFAA CC(C)N1CCC(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]2CCO)CC1 104645267 CACBTUJUOPDWNL-HSZRJFAPSA-N 429.584 2.957 0 50 IFAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1F)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 245240522 ZAOKSCPLTUYESP-FWGLHTQWSA-N 434.398 2.692 0 50 IFAA Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCC3(OCCO)CCOCC3)c12 252490470 KULKUSVQZDZOLG-UHFFFAOYSA-N 430.549 2.660 0 50 IFAA O=C(Nc1ccc(-n2nccn2)nc1)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742555174 TUJBITJGPVXGFT-SFHVURJKSA-N 433.299 2.981 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1nc3ccccc3[nH]1)C2 1857702843 QOLZKEAQWKBZJH-KHCICDEESA-N 426.561 2.819 0 50 IFAA C[C@H](C(=O)N1CCC([S@@](C)(=O)=NC(=O)[C@@H]2CC23CCC3)CC1)N(C)CC(F)(F)F 2332239181 ZONGZKBTQACHKQ-NUPYBGCKSA-N 437.528 2.675 0 50 IFAA O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1 1164956 FSHVGISQNKRJLQ-UHFFFAOYSA-N 443.411 2.928 0 50 IFAA CCN1C(=O)N[C@@H](c2cc(Br)c(O)c(OC)c2)C(C(=O)OCCOC)=C1C 2478306 BGBWBKSTIRYUKV-HNNXBMFYSA-N 443.294 2.713 0 50 IFAA COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1 2868687 WNQZTHMOBPAENN-UHFFFAOYSA-N 429.477 2.624 0 50 IFAA Cc1c(CN2CCC(Oc3ccc(C(=O)NCCN(C)C)cc3Cl)CC2)cnn1C 11838445 DMRRFTXGTRCCHQ-UHFFFAOYSA-N 433.984 2.717 0 50 IFAA CCCC(=O)N1CCc2c(C(=O)OC)c(OCCCc3ccccc3)cc(=O)n2CC1 12098220 YTMKZDXZGPRFDU-UHFFFAOYSA-N 426.513 2.831 0 50 IFAA Cc1nc(CC(=O)N2CCC([C@@H](Cc3ccccc3)N(C)C(=O)CN(C)C)CC2)cs1 12450159 SGWNOJSGNNUKFQ-JOCHJYFZSA-N 442.629 2.864 0 50 IFAA COc1ccccc1CNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 15823216 USAZSKOUMYNBFU-UHFFFAOYSA-N 427.320 2.540 0 50 IFAA Cc1ccccc1-c1cccc(CN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)c1 23129018 LRFGBPJPFZXKMJ-QFIPXVFZSA-N 445.567 2.965 0 50 IFAA COc1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4)NN32)cc1 137250437 NLMCXSHTDFCHFB-JOCHJYFZSA-N 428.517 2.772 0 50 IFAA CCOc1ccc([C@@H]2NC(=O)N(CC(=O)NCCC3=CCCCC3)C3=C2C(=O)OC3)cc1 169760795 PHMIZOZYTWXHDP-QFIPXVFZSA-N 439.512 2.969 0 50 IFAA CCOc1cc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O 239433062 XECKZJRXQSHIAF-UGTOYMOASA-N 436.501 2.734 0 50 IFAA CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)CN1C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C1=O)C2 239672542 BTTCTZVQXVCUBL-WTAFAXQGSA-N 427.501 2.513 0 50 IFAA O=C(Nc1ccc(-c2cccc(F)c2)c(F)c1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 241383133 MSTOHNZXJUQISD-UHFFFAOYSA-N 447.467 2.893 0 50 IFAA CC(C)(C)OC(=O)NCCNC(=O)C[C@H]1N=C(O)N(c2cccc3ccccc23)C1=O 252571976 YQCLUSKLDCTLLI-MRXNPFEDSA-N 426.473 2.500 0 50 IFAA Cc1ccc([C@@H]2COCCN2S(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)o1 480967582 YDAVGAFGWCKAGJ-ZDUSSCGKSA-N 442.291 2.695 0 50 IFAA COC(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)[nH]1 498518507 NYSZXDXGKICJKE-LJQANCHMSA-N 426.448 2.957 0 50 IFAA CC1(C)CCc2cc(CC(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)ccc2O1 888105566 RLXZSWOABLJRRA-UHFFFAOYSA-N 449.617 2.598 0 50 IFAA COc1ccc([C@H](O)CNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cc1OC 1875259861 WBRCPRSLKLWAIV-HXUWFJFHSA-N 447.495 2.971 0 50 IFAA CSc1nc(C(F)F)cc(N2CCC[C@]3(NC(=O)c4nccnc4N)CCC[C@@H]23)n1 1875334787 DZTJMXIGJBLKPF-CWTRNNRKSA-N 435.504 2.830 0 50 IFAA Cc1nc(O)cc(C(=O)NC[C@@H]2Cc3ccccc3CN2C(=O)/C=C/c2cccc(O)c2)n1 1875359361 BEFZOVSFODMCDU-XTXLJPNXSA-N 444.491 2.593 0 50 IFAA COC(=O)Cn1cc(S(=O)(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)cn1 2325820203 GFSOJAWOHBYMEI-UHFFFAOYSA-N 432.329 2.807 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccc(Oc2ccccc2)cc1 2813007 GBTJHGIINQGLCR-UHFFFAOYSA-N 439.493 2.983 0 50 IFAA Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCc4cccnc4)nn23)cc1 9116732 VQEAHKLCTUIHGS-UHFFFAOYSA-N 440.554 2.641 0 50 IFAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2 11783948 GIARCMMLYMMLEF-ZDUSSCGKSA-N 430.505 2.725 0 50 IFAA COc1ccc(C(=O)N2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)o1 12025341 GXIIRRFMVLVFSZ-UHFFFAOYSA-N 429.517 2.605 0 50 IFAA O=C([C@H]1CCOC1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 19739925 IDEUQARRUFRYKP-LDEWMORYSA-N 437.584 2.509 0 50 IFAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1ccc(Cl)cc1 138545763 UMWHVBTZIYRUQL-KCXPTXFHSA-N 425.847 2.910 0 50 IFAA CSCC[C@H](C(=O)OCC(=O)c1cccs1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 239038898 FDELBLHJGMYLED-QPSDCTRZSA-N 445.562 2.649 0 50 IFAA COC(=O)Cn1cc(C[C@H]2CCCCN2C(=O)c2cc(Cl)c(O)c(Cl)c2)nn1 1875359808 QJDRFHQOGJFXMR-CYBMUJFWSA-N 427.288 2.701 0 50 IFAA CC[C@H](OC)C(=O)N[C@@H]1CCOC2(CCS(=O)(=NC(=O)c3ccoc3Cl)CC2)C1 2332238198 FOGTYKAMHJELJS-YGZRSQPASA-N 446.953 2.794 0 50 IFAA CCCCN(C)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2nonc2C)C3=O)CC1 14889257 CEHZHCNKEJGZTK-UHFFFAOYSA-N 439.516 2.649 0 50 IFAA CC[C@H](C)[C@H](NC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCCCC2)c1=O)C(=O)OC 20256484 XOQMLIKPBVGMJY-JXFKEZNVSA-N 445.560 2.907 0 50 IFAA COc1cccc(-n2cc(CNC(=O)Cn3cc(NC(=O)c4ccccc4)cn3)cn2)c1 20452762 XFHXEBSBXIKUMN-UHFFFAOYSA-N 430.468 2.646 0 50 IFAA COc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)cc1 55061056 MWNIZJITOCYNEG-HXUWFJFHSA-N 433.911 2.537 0 50 IFAA CC(=O)Nc1cccc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c1 170625657 IEBARXFLSNEUNV-FQEVSTJZSA-N 433.468 2.618 0 50 IFAA CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](c2nc(C3(N)CCC3)no2)C(C)C)c1 1875253282 ZDAUYYSWYVXSQP-QGZVFWFLSA-N 449.577 2.565 0 50 IFAA COCCCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 2962170 YQJCFKFRLVYZHO-UHFFFAOYSA-N 441.347 2.797 0 50 IFAA CC(=O)Oc1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCOCC2)cc1 2979069 SCMXFKMXXUZNNV-ZHZULCJRSA-N 428.872 2.895 0 50 IFAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)cc1 12465821 TVRKVEZRLHAHRR-GOSISDBHSA-N 432.542 2.657 0 50 IFAA O=C1CCCN1CCCN1C[C@H](OCC2CC2)CN(Cc2cc3ccccc3o2)CC1=O 14530361 SXPJPTMYHYCGCE-JOCHJYFZSA-N 439.556 2.885 0 50 IFAA CCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@@H](C(F)(F)F)C[C@@H]2C)n(C)n1 20606136 ZLAIFHKHIZJRST-SWLSCSKDSA-N 426.443 2.949 0 50 IFAA C[C@H]1CN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)C[C@@H](C)O1 169616620 XUFWPLOWDHKXCA-RBZYPMLTSA-N 446.139 2.953 0 50 IFAA CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]1O 241719789 QPPZFMUEXZZDBD-WEJAWSEMSA-N 435.476 2.923 0 50 IFAA CCN(CC)CCN(C)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(CCC(C)C)C1=O 299761070 QWOSRYUOJFYRCM-VWLOTQADSA-N 445.604 2.928 0 50 IFAA Cc1cc(OCc2nn3c([C@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)ccc1Cl 951727024 VAHHZIYFKQBJEC-LBPRGKRZSA-N 441.966 2.866 0 50 IFAA Cc1cc(C)n2nc(CC(=O)O[C@@H](C(=O)N3CCSc4ccccc43)C(C)C)nc2n1 1875255011 SKJUWPZFVUYTHU-HXUWFJFHSA-N 439.541 2.990 0 50 IFAA Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)n1 2668807 KSBACMDKSDEUDM-UHFFFAOYSA-N 433.515 2.921 0 50 IFAA O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 9355823 IMSNPBPYIBCKND-YJBOKZPZSA-N 425.460 2.726 0 50 IFAA COc1cc(CN(C)Cc2ccc3nonc3c2)ccc1OC[C@H](O)CN(C)C(C)C 12054620 ZZKHXALLYALYOS-LJQANCHMSA-N 428.533 2.943 0 50 IFAA COC(=O)c1cn(-c2ccc(-c3coc4cc(O)ccc4c3=O)cc2)cc2c(=O)[nH]nc1-2 263587622 JCRDBMLSCRRBQZ-UHFFFAOYSA-N 429.388 2.931 0 50 IFAA O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CC[C@H](OCC2CC2)C1 1875301616 NCSRORSRPUIXSO-DLBZAZTESA-N 427.423 2.901 0 50 IFAA CC1(C)CCC[C@H](OC(=O)NCc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)C1 2325887162 WRCGRDFQEXUIEP-FUHWJXTLSA-N 427.501 2.643 0 50 IFAA COc1cccc2cccc(C(=O)Nc3ccc4c(c3)C(=O)N([C@H]3CCC(=O)NC3=O)C4)c12 2325895937 MZGAVYPFVCOUGK-IBGZPJMESA-N 443.459 2.862 0 50 IFAA COc1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(OC)c1 857914 MRPJWXIUEZMWGB-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1Br 1148416 MKWPNHBBIYDSTC-UHFFFAOYSA-N 425.304 2.722 0 50 IFAA Cc1cccc(OCC(=O)N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1 2765284 WPFSFGRCLAYLJV-UHFFFAOYSA-N 447.329 2.886 0 50 IFAA COc1cc(-c2nnn(Cc3cc4c(cc3Br)OCO4)n2)cc(OC)c1OC 10336430 URNQDAATAXIFDN-UHFFFAOYSA-N 449.261 2.905 0 50 IFAA COc1ccc(S(=O)(=O)NCc2nnc(SC)n2-c2ccccc2C)cc1OC 12128034 KXDWDJLQYUVBER-UHFFFAOYSA-N 434.543 2.793 0 50 IFAA COc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1C 14988940 KNWDFTKNNYEDBE-UHFFFAOYSA-N 437.519 2.765 0 50 IFAA COc1ccc(OC)c(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2)c1 15821340 PKRHSRULPLPNAU-UHFFFAOYSA-N 441.509 2.611 0 50 IFAA COCC(=O)Nc1cc(C(=O)N(C)Cc2ccn[nH]2)c2c(c1)ncn2CCc1ccccc1 20819674 WSQXHSBXTGBKBH-UHFFFAOYSA-N 446.511 2.859 0 50 IFAA C[C@H]1OC(C)(C)N(C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O 71788198 NUXZZZZUNKUMGM-SZNDQCEHSA-N 438.480 2.962 0 50 IFAA in-vitro O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cc2ccccc2o1 299761440 LTYXHJTYRATBQZ-FQEVSTJZSA-N 425.529 2.512 0 50 IFAA CC(C)CC[C@@]1(C2CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)NC(=O)NC1=O 299770537 VGSHWLQRSZPHIF-NRFANRHFSA-N 431.924 2.854 0 50 IFAA CSCC[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)n1c(O)nc2ccccc2c1=O 888088924 XWKIEHVJDKOHKX-LDJQZATESA-N 431.558 2.550 0 50 IFAA Cc1ccc2cc1OCCCn1cc(nn1)CCCC(=O)N(C)CC1CCN(CC1)C2=O 1704321107 CECPLBMSLVYMHU-UHFFFAOYSA-N 439.560 2.703 0 50 IFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2C[C@H]3CN(CC(C)C)C[C@]3(CO)C2)s1 1772815142 JULXYYTWFGXLDP-OXQOHEQNSA-N 439.603 2.591 0 50 IFAA COC(=O)[C@@H]1CCCCN1Cc1nc(N2CCCN(C(C)=O)CC2)c2cccc(C)c2n1 11998254 WTTKFZQKQFUIQV-FQEVSTJZSA-N 439.560 2.524 0 50 IFAA CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cnc(-c4ccc(OC)cc4)nc3)C2)CC1 20323489 AOYCENAMRPBUBN-OAQYLSRUSA-N 439.560 2.891 0 50 IFAA COc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br 20419446 OXIPMXFTCUAWDT-UHFFFAOYSA-N 425.348 2.964 0 50 IFAA O=C(c1ccncc1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H]1CCCO1 20992254 VDEHFFDMBHVKJN-HSZRJFAPSA-N 425.529 2.614 0 50 IFAA CCN(Cc1ccncc1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 55245322 KAQQRBUTKTYQIO-IBGZPJMESA-N 434.462 2.840 0 50 IFAA O=C(OCCO)c1ccc(NS(=O)(=O)c2cccc(-c3cc(F)ccc3O)c2)cc1O 144012363 QRDFCYMUXHUTCS-UHFFFAOYSA-N 447.440 2.854 0 50 IFAA COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3nc(C)c(C)s3)C2=O)cc1OC 206244911 DRONTKOSXXTZII-CQSZACIVSA-N 432.502 2.616 0 50 IFAA COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2CCCN21 247938935 HVGKNCXAETYDEW-KEXUJGGDSA-N 437.883 2.780 0 50 IFAA COc1ccc(Cn2c(C3CCN(C(=O)c4cc(F)cc(F)c4)CC3)n[nH]c2=O)cc1 263618306 SDKUMFLYEBIAJP-UHFFFAOYSA-N 428.439 2.926 0 50 IFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 426198465 JIOJWPXXGJJMIR-IIEJZKKVSA-N 431.939 2.866 0 50 IFAA Cc1cc(F)cc(-n2cc(C(=O)N3CCC([S@](C)(=O)=NC(=O)[C@@H]4C[C@H]4C)CC3)nn2)c1 2332239002 TVLVHMQOWSFGQT-YMRMIJDXSA-N 447.536 2.600 0 50 IFAA COc1cccc(CN2C[C@H](OCC3CC3)CN(C(=O)CCc3ccncc3)CC2=O)c1 14741187 FSUOQFSFQRDWJC-QHCPKHFHSA-N 437.540 2.689 0 50 IFAA COc1ccc(CN2CCOc3ccc(CN4CCN(C(C)=O)CC4)cc3C2)c(F)c1 14880263 RJSOICAWUVQDKF-UHFFFAOYSA-N 427.520 2.893 0 50 IFAA CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2 20781208 MTFZSGYHNIHHST-KRWDZBQOSA-N 445.511 2.602 0 50 IFAA CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1ccc(I)cc1 170640774 IDIVHCCMYOWRMQ-ZDUSSCGKSA-N 432.258 2.866 0 50 IFAA COc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCCc3ccc(O)cc3)CC2)cc1 253388003 GKTQTOWFIRFCQV-WGSAOQKQSA-N 446.569 2.844 0 50 IFAA COc1ccc2c(ccn2CCCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)c1 253412394 QWMSMSGBALZZSH-FQEVSTJZSA-N 434.496 2.687 0 50 IFAA biogenic O=C(NC[C@H](O)c1ccc2ccccc2c1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 731827611 FNSIAEMPPYISDB-VJBWXMMDSA-N 434.492 2.761 0 50 IFAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)c1ccc([C@@H]3CCCO3)s1)CC2 952975140 QHQUDEIYHZZPPV-INIZCTEOSA-N 441.557 2.866 0 50 IFAA CC(C)[C@@H](CNC(=O)c1occc1-c1ccc(F)c(F)c1)NC(=O)[C@]1(C)CCN(C)C1=O 2325827695 NMAVQODYRTWDII-JPYJTQIMSA-N 447.482 2.964 0 50 IFAA Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)[C@@H](C)CS4(=O)=O)c3)CC2)c1C 11859435 LWUUVNHHLHDJSU-KRWDZBQOSA-N 441.553 2.578 0 50 IFAA CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1cccc(-c3ccccc3C)c1)CC2 14747998 NOAWMGKGJMBTEI-UHFFFAOYSA-N 434.540 2.766 0 50 IFAA COc1cccc(CNCC[C@H]2CCC(=O)N2C[C@H](c2ccncc2)N2CCOCC2)c1 14882456 LTEFRYWIEIWAPK-ISKFKSNPSA-N 438.572 2.634 0 50 IFAA O=S(=O)(c1cccc(NC(=S)NCc2ccc(Cl)cc2)c1)N1CCOCC1 16346595 HKDGBOMLEYREON-UHFFFAOYSA-N 425.963 2.848 0 50 IFAA Cc1ccc(C)c(OC[C@@H](O)CN2CCN(C[C@H](O)COc3cc(C)ccc3C)CC2)c1 22942632 JBTLCKCVJHHEIW-ZEQRLZLVSA-N 442.600 2.717 0 50 IFAA COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(Cc1cc3ccccc3nc1O)CC2 299787397 WOQJONLRFUOKDT-UHFFFAOYSA-N 437.496 2.734 0 50 IFAA O=C1C[C@@H](c2cccc(NC(=O)N[C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c2)CN1 470396033 CEMCDAIPGMNGMZ-UZLBHIALSA-N 442.466 2.881 0 50 IFAA O=C(O)C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCO1 486395923 DXILGLYTQDOHEG-VQIMIIECSA-N 430.888 2.903 0 50 IFAA COc1ccc2c(c1)OC[C@H](CNC(=O)CCSc1nnc(-c3ccncc3)o1)C2 952978486 AHDDWQIPNYJZDM-AWEZNQCLSA-N 426.498 2.990 0 50 IFAA Cc1[nH]nc(CN2CCCNC(=O)CC[C@H](c3ccccc3)CCNC(=O)C2)c1Cl 1875240468 TZOSGEJWZCUQRG-SFHVURJKSA-N 431.968 2.764 0 50 IFAA O=C(NC[C@H]1CCCCN1)c1sccc1S(=O)(=O)N1CCc2c(F)cccc2C1 1875305075 FRZDEPZRBRSULO-OAHLLOKOSA-N 437.562 2.506 0 50 IFAA Cc1ccc(F)cc1-c1n[nH]c(=NC(=O)N2CCCC[C@H]2CCS(C)(=O)=O)s1 1875354837 QIZTWTRWKFYNBA-AWEZNQCLSA-N 426.539 2.896 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)cc1OC 839920 INBOVPNSEKYQEH-GOSISDBHSA-N 448.541 2.503 0 50 IFAA COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)c1 1079331 HPSRXTKNOBRGLB-UHFFFAOYSA-N 428.894 2.625 0 50 IFAA COc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCC(C)C)CC3=O)cc2)c1 4196737 LMBNBFSQOZZNQY-KRWDZBQOSA-N 439.512 2.838 0 50 IFAA COc1cc(C(=O)NCc2cn3ccsc3n2)ccc1OC1CCN(C(C)=O)CC1 12316586 MZQVCHOQUDSRCD-UHFFFAOYSA-N 428.514 2.724 0 50 IFAA COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 13544868 ODDGKRLAJYZJTF-VGOFMYFVSA-N 447.241 2.915 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1cccc(Cl)c1Cl 13566738 NDTGKFDECBEZGO-UHFFFAOYSA-N 428.297 2.745 0 50 IFAA Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)cc3n2)cc1 15659580 UMFIWXBUQDGNFP-UHFFFAOYSA-N 433.434 2.786 0 50 IFAA COc1ccc2cnn(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)c(=O)c2c1OC 61722081 DTGPVBYTAHGZSM-UHFFFAOYSA-N 440.887 2.907 0 50 IFAA COc1cc(OC)cc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)c1 169770475 KAHYZXGLNWKURN-UHFFFAOYSA-N 440.475 2.796 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc3nc(C)[nH]c3c2)C1 1857704902 KIYFQMUNZUBLMT-TYBLODHISA-N 439.604 2.700 0 50 IFAA CC1(C)CC[C@@H]1C(=O)N1Cc2ccccc2OC2(CCN(C(=O)c3cncc(N)n3)CC2)C1 1875361696 ZAONDYWAQTUFPI-GOSISDBHSA-N 449.555 2.891 0 50 IFAA O=C(Nc1ccc2ccnc(Cl)c2c1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 2325819402 DCIIGVCXABURMM-UHFFFAOYSA-N 440.862 2.950 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 861885 ZFKRAQMLLKSJCD-RZXXJPOTSA-N 448.500 2.527 0 50 IFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(OC)ccc2OC)c(OC)c1 909801 BFMCLDSCNXDABP-FQEVSTJZSA-N 427.457 2.988 0 50 IFAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2 1056967 NDIBQANSHJYEOO-UHFFFAOYSA-N 432.498 2.650 0 50 IFAA O=S(=O)(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc2ccccc12 6142812 WRXGGDKWCUKPCG-UHFFFAOYSA-N 432.523 2.662 0 50 IFAA COc1ccc([C@]2(CC(=O)N(C)Cc3nc4ccccc4[nH]3)CC(=O)N(C3CC3)C2=O)cc1 11785072 LAZCMPYHWMCZPS-VWLOTQADSA-N 446.507 2.779 0 50 IFAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(OC)c3ccccc13)CC2 12055345 BOUNXXUMSUYNMK-KRWDZBQOSA-N 437.544 2.712 0 50 IFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)c(OC)c1 12319760 ULLIKXGILVOMHZ-SFHVURJKSA-N 425.529 2.977 0 50 IFAA COc1ccc(CN2C[C@H](OCc3cccnc3)CN(C(=O)c3ccccn3)CC2=O)cc1 14542416 UFYQCAGDZGESAO-QFIPXVFZSA-N 446.507 2.555 0 50 IFAA Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c1 14884604 ARXPSUKZKSTLHD-UHFFFAOYSA-N 433.556 2.691 0 50 IFAA COc1ncccc1C(=O)N1CCC([C@@]2(CCCc3ccccc3)NC(=O)NC2=O)CC1 14887115 WULIUJMHLZPQTA-XMMPIXPASA-N 436.512 2.544 0 50 IFAA O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 15065401 ZHTJPQNLMIBDHB-UPWIVDSGSA-N 425.573 2.698 0 50 IFAA O=C(c1nc2sccn2c1CN1CCN(c2cnccn2)CC1)N1CCCCCCC1 20204879 HXQBLPHKHATCPV-UHFFFAOYSA-N 439.589 2.914 0 50 IFAA COc1ccc(CN2C(=O)[C@@H](CC(=O)NCc3nc4ccccc4n3C(C)C)N=C2O)cc1 252519053 AVIXLNNMJGBPDH-LJQANCHMSA-N 449.511 2.957 0 50 IFAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1nn(C)c(=O)c2ccccc12 409415300 ZUKBYTNHDIMBQQ-GHTZIAJQSA-N 426.561 2.677 0 50 IFAA biogenic Cc1noc(C)c1CO[C@H]1CN(CC(C)C)C(=O)CN(C(=O)c2onc3c2CCCC3)C1 821236076 GXHIQKUNUGMFAT-KRWDZBQOSA-N 444.532 2.684 0 50 IFAA C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 915259413 HXKSMVMLBLDRRX-OXJNMPFZSA-N 432.480 2.724 0 50 IFAA O=C(/C=C/C(=O)N1CCC(C(=O)N=c2cc[nH]cc2)CC1)Nc1ccc(F)c(Cl)c1 1875258699 MJTVTENAGQZLAA-ONEGZZNKSA-N 430.867 2.668 0 50 IFAA CC[C@H]1c2ccccc2CN1C(=O)Nc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896681 DLBWPODTDRWUBU-PMACEKPBSA-N 432.480 2.946 0 50 IFAA CO[C@H](C(=O)N1CCC([S@](C)(=O)=NC(=O)[C@@H]2CCC[C@H](C)C2)CC1)c1cnn(C)c1 2332239119 XIYDOPQAQIYABX-KTZAHZSOSA-N 438.594 2.549 0 50 IFAA CCOc1cc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)cc(Br)c1O 2797006 RBSWICOLMQONHX-UHFFFAOYSA-N 426.263 2.696 0 50 IFAA CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)CC1 9429427 BTDWRUWFBLMMOV-INIZCTEOSA-N 447.601 2.691 0 50 IFAA CCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)/C=C/c1ccc(F)cc1F)C2 11785457 RNUCDHPVVYLLRF-FNORWQNLSA-N 435.496 2.706 0 50 IFAA COc1ccc(CCNC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)cc1OC 169778290 URJIVOOVEVMHIB-UHFFFAOYSA-N 438.528 2.609 0 50 IFAA COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)c2ccccc2oc1=O 217885262 VZKZZOZNJCZDFA-AWEZNQCLSA-N 449.415 2.806 0 50 IFAA biogenic CCCNC(=O)CCCC(=O)O[C@H]1CCCC[C@H]1OC(=O)CCCC(=O)NCCC 252484494 FXQCBKRNTGQMIR-HDICACEKSA-N 426.554 2.777 0 50 IFAA COc1ccc(-c2nn3c([C@@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)cc1Cl 951726648 HBAZUFMVVOEGBN-LLVKDONJSA-N 427.939 2.654 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2ccc3c(c2)CCCC3)CC1=O 2325819353 BYKIQWVUHQINDN-JXFKEZNVSA-N 426.538 2.980 0 50 IFAA COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 686841 KJMZFWFEXPZXHQ-UHFFFAOYSA-N 428.894 2.625 0 50 IFAA Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Cl)c1 1056916 JZLYDBVKGXLCEF-UHFFFAOYSA-N 435.933 2.787 0 50 IFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc4ccccc4n3)N(CC=C(C)C)C2)nn1 12244337 MNCDGNYYRUAFPO-UGKGYDQZSA-N 448.527 2.511 0 50 IFAA CN(CC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 12711594 LUIZBGHMMRKFLE-DEOSSOPVSA-N 435.568 2.929 0 50 IFAA COC(=O)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1 12946458 WJJKXBNBEFDEDD-YZVOILCLSA-N 440.349 2.716 0 50 IFAA Cn1cc(CN2C[C@H](OCc3ccncc3)CN(Cc3cc4ccccc4[nH]3)CC2=O)cn1 14746789 FXGAVCBNJQELPU-HSZRJFAPSA-N 444.539 2.726 0 50 IFAA CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)ccc1O 238900827 KIMHTUFULCKHRS-JKIFEVAISA-N 430.404 2.956 0 50 IFAA COCC1(CNC(=O)CCCNC(=O)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 253416339 DEYDAMJLEWIETM-UHFFFAOYSA-N 447.576 2.977 0 50 IFAA CC(=O)N[C@@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]2CO[C@H](c3ccco3)O[C@H]2[C@H]1O 253498536 FYTGFTLKWMSTHB-UOKSHHMNSA-N 425.437 2.516 0 50 IFAA CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCc1nc(-c2ccccc2F)cs1 426895133 RFWCOQZACGSSJC-ZDUSSCGKSA-N 426.539 2.563 0 50 IFAA CC(C)[C@H](C(=O)O)N1CC[C@H](NC(=O)CN(Cc2ccccc2)Cc2ccccc2)C1=O 479005882 IAYHNIATANGMPT-JTHBVZDNSA-N 437.540 2.515 0 50 IFAA O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 784522645 YALMIWPPIRRBEX-INIZCTEOSA-N 445.449 2.771 0 50 IFAA O=C(NCC12CCC(CC1)N(C(=O)Cc1cncc(O)c1)C2)c1c(Cl)n[nH]c1C1CC1 1875331188 ULRPYAGJNFOAEJ-UHFFFAOYSA-N 443.935 2.785 0 50 IFAA C[C@@]12CC3(N)CC(C(=O)N[C@H]4CCN(C(=O)COc5ccccc5)C4)(C1)C[C@](C)(C3)C2 2325829713 QLXWQFZVQYPHTQ-GHSVHLPSSA-N 425.573 2.860 0 50 IFAA COc1cccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(C)cc2)c1 888959 BJFBMYZDEXGVHF-UHFFFAOYSA-N 425.510 2.910 0 50 IFAA O=C(COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Br)cc1 1023636 BJWXNJXPBSQTEG-NVXWUHKLSA-N 448.269 2.809 0 50 IFAA O=S(=O)(NC[C@H]1CCC2(CCN(Cc3ccc4c(c3)OCO4)CC2)O1)c1ccccc1 11839274 VMNSNXIAKMLLPO-LJQANCHMSA-N 444.553 2.907 0 50 IFAA CCCNS(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 13153223 OLDRVJKISCCCSX-UHFFFAOYSA-N 434.558 2.684 0 50 IFAA COc1ccc(OC)c(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)c1 16213871 PKWAAVAZAUYNRF-UHFFFAOYSA-N 430.592 2.652 0 50 IFAA CN1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)CC1 19811865 XLQJDFOBWLYGPT-UHFFFAOYSA-N 442.368 2.963 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3cc(F)ccc3F)cc2OC)CC1 19839482 HKTQSNQAOUMOIX-NRFANRHFSA-N 449.542 2.640 0 50 IFAA CC(=O)O[C@H]1CC[C@]23[C@@H](O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@@]1(C)CC[C@H]43 254415696 XLUGVKZDVVAUBL-RBTOQMDQSA-N 446.540 2.626 0 50 IFAA O=C(c1cn(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1)N1CCCCC1 299787264 PPUPCFUFCTVNFI-UHFFFAOYSA-N 437.953 2.583 0 50 IFAA O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCC(c2nnc3ccccn23)CC1 1857688468 LGCMSASILOLDFM-UHFFFAOYSA-N 437.569 2.962 0 50 IFAA O=C(O)[C@@H]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(OC4CCOCC4)c(F)c3)[C@H]2C1 1875260355 RHNHCVQSZRJDKY-LBTNJELSSA-N 427.494 2.647 0 50 IFAA CS(=O)(=O)c1cccc([C@H](NC(=O)C2CCC(NC(N)=O)CC2)c2ccc(F)cc2)c1 1875260827 FDINMAQUDCWEQW-PKUWUEBNSA-N 447.532 2.662 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1CCc2cncn2C1 1875288112 NQUVKCDYXSMNRX-CVEARBPZSA-N 428.500 2.554 0 50 IFAA Cc1ncc2n1C[C@@H](C(=O)NCC[C@H]1CN(c3ncnc4n[nH]cc34)c3ccccc31)CC2 1875288214 SKSLTTKUUYGBBO-IRXDYDNUSA-N 442.527 2.862 0 50 IFAA CC1(C)[C@H]2CC[C@@H](NC(=O)c3csc(=NCCNS(=O)(=O)c4ccccc4)[nH]3)[C@@H]1C2 1875360680 FUQYVYAZUPQVHC-BHYGNILZSA-N 448.614 2.510 0 50 IFAA O=C1CC[C@@H](N2C(=O)c3ccc(OCc4ccsc4C(F)(F)F)cc3C2=O)C(=O)N1 2325893860 CPLOOCWPMOHFGQ-CYBMUJFWSA-N 438.383 2.747 0 50 IFAA Cc1cc(C(=O)N=S2(=O)CCC3(CC2)C[C@@H](NC(=O)Cc2ccon2)CCO3)c(C)o1 2332238401 QUTTZXGUYPNOND-ACDRYYCLSA-N 449.529 2.563 0 50 IFAA Cc1cccc(Cn2c(SCC(=O)c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 637549 IOTVGEKQTCYRSW-UHFFFAOYSA-N 434.521 2.765 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccc(I)cc1 1112661 SMSYVLFAZDQRKL-UHFFFAOYSA-N 448.257 2.835 0 50 IFAA Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCc1ccncc1 6023555 HILDYDZVQRXXOI-UHFFFAOYSA-N 425.510 2.564 0 50 IFAA O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1cccnc1 6244601 GCKLQBDEJCVOFX-UHFFFAOYSA-N 425.466 2.687 0 50 IFAA CC(=O)c1ccc(NC(=O)CSc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)cc1 8611770 JNBLLNIHVNIKFM-UHFFFAOYSA-N 440.525 2.689 0 50 IFAA CCN(CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C 11977975 SDXLFKOSMBLSSV-UHFFFAOYSA-N 434.544 2.817 0 50 IFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)[C@H]2CCC(=O)N2)O3)c1 12001227 FMMDFYSOPKYTIB-CRAIPNDOSA-N 430.888 2.723 0 50 IFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ncccc3C)cc2)CC1 12435033 YLTJBAAYFILCRQ-UHFFFAOYSA-N 425.529 2.769 0 50 IFAA C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 13494496 QDQZSUOUJBRIHK-QGZVFWFLSA-N 431.492 2.661 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 15919332 FRVBDZSTNGWNRD-UHFFFAOYSA-N 445.541 2.734 0 50 IFAA COc1ccc(NC(=O)c2cn(C)nc2[C@@H]2CCOC2)c(I)c1 487636545 GHRLXBZAJPVPQR-SNVBAGLBSA-N 427.242 2.790 0 50 IFAA Cc1cccn2c(=O)cc(COC(=O)c3ccc(Br)cc3-n3cncn3)nc12 758795371 FOCMLUOQVRZIRZ-UHFFFAOYSA-N 440.257 2.703 0 50 IFAA Cc1cc(N(C)C)cc(C)c1CC(=O)N=[S@@]1(=O)CCCN(C(=O)C2CSC2)CC1 2332239174 ZMZNJHDLABKHIA-GDLZYMKVSA-N 437.631 2.502 0 50 IFAA COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cn2nc(O)ccc2=O)cc1C 11935051 ZDUVAAKDBIWBAG-RUZDIDTESA-N 444.491 2.922 0 50 IFAA CCOC(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 12314943 SJOMEMYRDKXHLV-MRXNPFEDSA-N 441.450 2.745 0 50 IFAA COc1ccc(C)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O 15936368 ZMUHOLHSVMMYMU-OAHLLOKOSA-N 445.541 2.608 0 50 IFAA CCCN1CCN(C(=O)[C@@H]2CC(=O)c3sc(NC(=O)c4cccc(F)c4)nc3C2)CC1 20451445 FAOOLFLBJUHSNW-HNNXBMFYSA-N 444.532 2.834 0 50 IFAA CC(C)(C)OC(=O)N1CC[C@@H](CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 170639671 JAUPRGDLZNQHMI-INIZCTEOSA-N 443.997 2.903 0 50 IFAA COc1ccc(Br)c(CS(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1 410160886 VHLFQNFYCGJHRI-UHFFFAOYSA-N 433.368 2.619 0 50 IFAA O=C(Nc1ccc(-n2nccn2)nc1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 742555171 TUJBITJGPVXGFT-GOSISDBHSA-N 433.299 2.981 0 50 IFAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1 798338776 BKMQQKRSUAZZOT-INIZCTEOSA-N 432.395 2.706 0 50 IFAA Cn1c([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 886025662 QWUOJXGRCACRTL-UYAOXDASSA-N 431.496 2.768 0 50 IFAA O=C1NC(=O)[C@@H](CCC(=O)OCc2nc3ccccc3n2C23CC4CC(CC(C4)C2)C3)N1 1875254966 RQAXILCACTVCQY-QQYMGJJXSA-N 436.512 2.993 0 50 IFAA CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2cc(-n3cccc3)cc(C(F)(F)F)c2)C1 1875320810 LSOOQTJWWWQQAG-YOEHRIQHSA-N 425.407 2.675 0 50 IFAA O=C1C[C@@H]2CCCCN2CCCCN(C(=O)c2cccc(N3CCCC3=O)c2)CCCN1 2100533980 OFPGKISXVSDYEG-NRFANRHFSA-N 440.588 2.800 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2cnc3ccc(F)cc3c2)CC1=O 2325819769 PMGIJXHKTXWZTQ-RHSMWYFYSA-N 441.484 2.789 0 50 IFAA Cn1cc(C(=O)N=S2(=O)CCC3(CC2)C[C@H](NC(=O)C[C@@H]2C=CCCC2)CCO3)cn1 2332238357 OGFJRPRMBNIGBO-HDQULVACSA-N 448.589 2.603 0 50 IFAA CCCCN(C)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1 9226896 BPZLQBGOIXHVDC-UHFFFAOYSA-N 442.541 2.846 0 50 IFAA Cc1cc(C)cc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)CN(C)C)n3CC2)c1 12050876 QVLYQNFAAKNVNC-OAQYLSRUSA-N 426.609 2.718 0 50 IFAA CCn1cc(C(=O)N2CCC(n3nccc3NC(=O)[C@H](OC)c3ccccc3)CC2)cn1 12198070 ILVDQHXJYQFBAF-OAQYLSRUSA-N 436.516 2.903 0 50 IFAA Cn1ccc(N2CCC[C@H](NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)C2=O)n1 460434183 CSVWLUJBQIYTSX-HNNXBMFYSA-N 432.406 2.550 0 50 IFAA O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 811563702 HZZWSMUUCZWBMH-FWRIEMNASA-N 446.544 2.560 0 50 IFAA Cc1cnccc1N1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 952973653 YHWCBUNKKGDNNF-UHFFFAOYSA-N 434.587 2.589 0 50 IFAA O=C([C@H](O)[C@@H](O)c1nc2ccccc2s1)N1CCC2(CC1)OCCc1ccsc12 1319922893 ZUDFDOLKFYUQHH-IAGOWNOFSA-N 430.551 2.843 0 50 IFAA Cc1[nH]nc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)c1Cl 1857680644 LWZCHFRRWITVAG-SFHVURJKSA-N 436.915 2.781 0 50 IFAA Cc1cnc2c(C(=O)N3CC4(CCC4)C[C@@H]3CNC(=O)c3cccc4c3COC4)cnn2c1 1875358777 JPBBKXJJQDYYCY-GOSISDBHSA-N 445.523 2.883 0 50 IFAA O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1c(F)cccc1F)CC2 15002490 PBWVVNSZIZZMNT-UHFFFAOYSA-N 429.446 2.613 0 50 IFAA CN(Cc1cc(-c2ccccc2)no1)Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1 15068819 QGNKQZIVOVETQK-GOSISDBHSA-N 430.530 2.753 0 50 IFAA CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)c(OCC(N)=O)c(OCC)c2)NC(=O)N1 16382574 WRCPSIGVTGPDLG-QGZVFWFLSA-N 439.896 2.574 0 50 IFAA Cc1cccc(C(=O)NCCCN2CCN(CCCNC(=O)c3cccc(C)c3)CC2)c1 22942609 BBJHWPAIBCAPKZ-UHFFFAOYSA-N 436.600 2.861 0 50 IFAA COCCNc1nc(O)c2c(n1)NC(=O)[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C2 253537587 ROABUNGYJKTIIV-SECBINFHSA-N 440.287 2.687 0 50 IFAA O=C(NCCC1=CCNCC1)N1CC[C@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1 952892296 GSOBJJLSCKXXQA-IBGZPJMESA-N 436.438 2.657 0 50 IFAA O=C(Cn1nc2c(cc1=O)CCCCC2)N[C@H]1CC[C@H](CN2Cc3ccccc3C2=O)CC1 1775942518 XFEDJTAQJORGAF-XGAFWQRZSA-N 448.567 2.843 0 50 IFAA O=C1C[C@@H]2CCCCN2CCCN(C(=O)c2ccc(Cn3ccnc3)o2)CCCCN1 2100532839 DEIVCJIPGXQESQ-IBGZPJMESA-N 427.549 2.511 0 50 IFAA COCCn1c(-c2cnc3onc(C)c3c2)nnc1N1CC[C@@]2(C1)C(=O)Nc1ccccc12 2325703879 MUHUAPDFZNYWBI-QHCPKHFHSA-N 445.483 2.536 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)Cc2cccc3cccnc23)CC1=O 2325819475 GBXANQJQGWMXHM-JXFKEZNVSA-N 437.521 2.791 0 50 IFAA CCOC(=O)CCCCC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1 6546083 MVCSPAMNKKUAKT-UHFFFAOYSA-N 442.424 2.827 0 50 IFAA COc1ccc(CN(C)C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)cc1OC 11909179 JPSVGWLTHJWSQP-HSZRJFAPSA-N 428.460 2.518 0 50 IFAA CC[C@H]1CN(CCNC(=O)c2ccc(N3CCOCC3)cc2)Cc2cc(OC)ccc2O1 11971800 HUFPIRWIMNFROF-QFIPXVFZSA-N 439.556 2.935 0 50 IFAA CCN(CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C 12127601 QWGBPJHJVOJJQB-UHFFFAOYSA-N 434.544 2.817 0 50 IFAA CCOC(=O)CCNC(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C1CC1 14999485 KLFRFMNCWGDJFH-UHFFFAOYSA-N 435.484 2.898 0 50 IFAA O=C([C@H]1CCOC1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 19739929 IDEUQARRUFRYKP-TUQZLUKZSA-N 437.584 2.509 0 50 IFAA CC(C)N1C[C@@H](NCc2ccc(F)cc2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 32516109 CBSDAEWCUVJIFS-SFTDATJTSA-N 427.520 2.854 0 50 IFAA COc1ccccc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F 55042640 HXBSJZODAQAKGR-SFHVURJKSA-N 435.446 2.721 0 50 IFAA CS(=O)(=O)CC[C@@H](c1nc(-c2ccccc2F)no1)N1C(=O)c2ccccc2C1=O 225525788 XXMGYNBZTMFIEI-INIZCTEOSA-N 429.429 2.648 0 50 IFAA O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1 238923847 PMKWEFMDZGGEHB-MXVIHJGJSA-N 431.540 2.947 0 50 IFAA COC(=O)c1cn(-c2cc(Cl)c(N3CCN(C)CC3)c(Cl)c2)cc2c(=O)[nH]nc1-2 253415173 ZWWJGXHYBLLHGH-UHFFFAOYSA-N 436.299 2.511 0 50 IFAA COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)nc1 253420001 SDYOALJXIVVMAX-GOSISDBHSA-N 448.564 2.781 0 50 IFAA CCc1noc2ncc(C(=O)N3CCN(S(=O)(=O)c4cc(C)sc4C)CC3)cc12 303044610 QLGBQCSGOYHWFW-UHFFFAOYSA-N 434.543 2.610 0 50 IFAA Cn1c(O)nc2ncc(-c3cccc(C(=O)NC[C@@]4(O)[C@H]5[C@@H]6C[C@@H]7[C@@H]8C[C@@H]([C@@H]5[C@@H]86)[C@@H]74)c3)cc21 427993098 CWJGKPOCHPDLQT-CAXGNBJBSA-N 442.519 2.580 0 50 IFAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 446319402 HQQIMPNKEGNOBG-LUVWLHFXSA-N 425.872 2.840 0 50 IFAA Cc1c(NC(=O)[C@@H]2CCCO2)cccc1C(=O)N1CCCN(C(=O)c2ccco2)CC1 1506415697 BTBUUNRAHDJDGF-IBGZPJMESA-N 425.485 2.694 0 50 IFAA CCS(=O)(=O)Nc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc(F)c3)C2)cc1 645101 NHXFLZFZPNHKPP-GOSISDBHSA-N 425.507 2.698 0 50 IFAA COc1cc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)ccc1O 11972801 RUMDEUSQOQRWIQ-QGZVFWFLSA-N 435.528 2.850 0 50 IFAA CN1C(=O)C[C@@](CC(=O)N2CCC(Oc3cccnc3)CC2)(c2ccccc2Cl)C1=O 12210497 PSFDWNUYRPTEOD-HSZRJFAPSA-N 441.915 2.822 0 50 IFAA Cc1nc(CN2C[C@@H](OCc3ccccn3)CN(C(=O)[C@@H]3CC=CCC3)CC2=O)cs1 14541666 FBJDRBFETQRYLF-WIYYLYMNSA-N 440.569 2.959 0 50 IFAA COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(Cc3cc[nH]n3)CC2=O)cc1 14541853 MESMFSITQHDZFD-JOCHJYFZSA-N 438.503 2.987 0 50 IFAA CC[C@H](C)n1cc(C(=O)NCc2ccco2)c(=O)c(C(=O)NCC(C)(C)CN(C)C)c1 14990923 DBIUSVMDVAXNIA-INIZCTEOSA-N 430.549 2.660 0 50 IFAA CC(C)[C@H]1CN(C)CCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O 20776942 QVHKVOHANPLPCO-PXDATVDWSA-N 443.563 2.954 0 50 IFAA COc1ccc(CNC23CC4CC(CC(C4)C2)C3)c(OC[C@@H](O)CN2CCN(C)CC2)c1 23374181 ARAJWOQHCJQICH-GKWUYRECSA-N 443.632 2.741 0 50 IFAA Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)c(C)c1 169775748 LQDGOXPHDDOWRH-UHFFFAOYSA-N 430.464 2.939 0 50 IFAA C[C@@H](NC(=O)CS(=O)(=O)c1nnc(C2CC2)n1Cc1ccco1)c1ccc(F)cc1 225684482 IXACZGYEDOLFMW-CYBMUJFWSA-N 432.477 2.587 0 50 IFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(Cc3cnc[nH]3)C[C@@H]21 2100533897 KMEWTKNXFWRBLB-RBUKOAKNSA-N 434.496 2.947 0 50 IFAA O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)CN2CCCCC2)CC1 12585710 XYJILIQJKAXCRN-UHFFFAOYSA-N 439.560 2.940 0 50 IFAA Cc1cc(C)cc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 14961456 SYFFXSMEESGNKJ-UHFFFAOYSA-N 435.547 2.994 0 50 IFAA Cc1cccc(OC[C@@H](O)CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 19228395 GKUUCMDQERQBLE-IBGZPJMESA-N 433.346 2.955 0 50 IFAA O=C(NCc1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2)c1ccncc1 19744905 WOIZARFKBNDHPZ-UHFFFAOYSA-N 430.434 2.680 0 50 IFAA COC(=O)c1ccc(/C=c2\sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 22478594 WDCXDDJPQBQVKV-GDNBJRDFSA-N 442.294 2.915 0 50 IFAA CN(CCCC(=O)Nc1cn(Cc2ccccc2)nn1)S(=O)(=O)c1ccc(F)cc1 170601499 KPKWCOCLZPWAHT-UHFFFAOYSA-N 431.493 2.505 0 50 IFAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@@H]5C(=O)N(c6ccc(OC(C)=O)cc6)C(=O)[C@@H]54)[C@H]23)cc1 245257393 ZGOYGPMYIGGZBU-NWGYLYAPSA-N 446.459 2.795 0 50 IFAA CC(C)C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@H]2C(=O)N(C)C(=O)[C@@H]12 248006053 CCJUYJPNWLJZOB-MGPQRACWSA-N 435.499 2.817 0 50 IFAA CCOc1ccccc1N1CCN(C(=O)c2nnn3cc(-c4ccccc4)nc(O)c23)CC1 263618030 QXKSXOOCFGTSHC-UHFFFAOYSA-N 444.495 2.858 0 50 IFAA Cc1ccc(N2CCC[C@@H](N3CCN(CC(=O)NC4CCC(C)CC4)CC3)C2=O)cc1 744395110 RRAHKFUGGOBSQW-POOLCLQXSA-N 426.605 2.803 0 50 IFAA COc1ccc(N2C[C@@H](C(=O)N=c3[nH][nH]c4cccc(N(C)C)c34)CC2=O)cc1Cl 2100483300 KEGXLKDOITYVJV-LBPRGKRZSA-N 427.892 2.704 0 50 IFAA COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cc2)cc1OC 1146201 YNAXNJADLPNRJG-UHFFFAOYSA-N 443.319 2.726 0 50 IFAA COc1ccc(/C=C(\NC(=O)c2cccc(Br)c2)C(=O)NCCCO)cc1 2117546 OKTKAOUAMIGESD-PDGQHHTCSA-N 433.302 2.727 0 50 IFAA Cc1ccc2nc(CNC(=O)COc3ccc(N(C)Cc4ccc(F)cc4)nn3)cn2c1 11912029 MLWYPODSOBYSRP-UHFFFAOYSA-N 434.475 2.903 0 50 IFAA C/C=C(\C)CN1CCc2c(C(=O)OC)c(OCCCc3cccnc3)cc(=O)n2CC1 12152075 CTTPSSYXPIRJGN-JJPRUIFNSA-N 425.529 2.866 0 50 IFAA CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccc1Cl 12703587 BCHVUSUNOOPZPD-FQEVSTJZSA-N 429.948 2.788 0 50 IFAA COc1ccc(CNCCCN2CCCC2=O)cc1OC[C@H](O)CN1CCCCCCC1 14978837 CAWUEEMEVAXSAY-JOCHJYFZSA-N 447.620 2.803 0 50 IFAA CCOc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1 14994619 RZLBKDOCTSUOEQ-LJQANCHMSA-N 449.555 2.991 0 50 IFAA O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1ccccc1 15222333 ZZWUKEMQKMEPAB-WOJBJXKFSA-N 439.464 2.971 0 50 IFAA Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)no1 17096413 YGXFLYCCYWXNQL-UHFFFAOYSA-N 429.426 2.863 0 50 IFAA O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1Cc1ccc(Cl)cc1 22772672 OWPLGTCMPHVOQU-IBGZPJMESA-N 441.915 2.514 0 50 IFAA CN(C)C(=O)CCOC(=O)c1cc(I)ccc1Br 170593430 COMHCZQKNBFWEW-UHFFFAOYSA-N 426.048 2.689 0 50 IFAA CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cc1 334160586 HYGFVVATFIWZFC-SFHVURJKSA-N 444.532 2.704 0 50 IFAA O=C(NCCNc1ccc2ccccc2n1)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 469725848 QHQXPEYTIALOPV-LJQANCHMSA-N 442.523 3.192 0 50 IFAA C[C@]1(c2cccc(CNc3ccc4nnc(-c5ccccc5F)n4n3)c2)NC(=O)NC1=O 1338221458 KXAXVAVVMNCGFG-JOCHJYFZSA-N 431.431 2.597 0 50 IFAA COc1ccc(Br)cc1-c1nc(C(=O)NCCN2CCOCC2)cs1 1463840768 CZEIBAKDXCVCAK-UHFFFAOYSA-N 426.336 2.643 0 50 IFAA O=C(NC[C@@H]1C[C@@H]2OCC[C@@H]2O1)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 1875352491 JJAYBVDTIVJWIJ-ACRUOGEOSA-N 434.500 2.651 0 50 IFAA COc1ccc(-c2cc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)ncn2)cc1 1875356673 PZPAZZRBZUCQQE-UHFFFAOYSA-N 426.498 2.865 0 50 IFAA Cn1cc(C(=O)N=c2ccn(Cc3ccncc3)[nH]2)c(-c2ccc3c(c2)OCCCO3)n1 2325703933 XFFWQNUETFJGJV-UHFFFAOYSA-N 430.468 2.562 0 50 IFAA COC(=O)c1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1 1129000 WDCXDDJPQBQVKV-XNTDXEJSSA-N 442.294 2.915 0 50 IFAA CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC)cc3)[C@H](C)C2)cc1 1169864 XAZCFDAXXROPBI-QGZVFWFLSA-N 436.599 2.895 0 50 IFAA CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc(F)c1 9392361 OBWJVBAFUXNTDX-SFHVURJKSA-N 425.507 2.698 0 50 IFAA COc1cc(CNCc2csc(C(C)C)n2)ccc1OC[C@@H](O)CN1CCC(O)CC1 11840437 DTAQBCWFHQZFJZ-FQEVSTJZSA-N 449.617 2.761 0 50 IFAA CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cnc3ccccc3c1)C2 14536026 LJVKCYUIUKRTBG-FQEVSTJZSA-N 433.556 2.961 0 50 IFAA COC(=O)c1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)cc1 16401019 SMEFJBOUVOTWJA-IBGZPJMESA-N 441.509 2.922 0 50 IFAA O=C(c1ccccc1)N1CCN([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 19368852 UIMUDWQNNPMCGJ-SFHVURJKSA-N 442.313 2.539 0 50 IFAA COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CCc2nnc(-c3ccc(O)cc3)n2C1 170614615 KYASXBRYNJISTQ-HNNXBMFYSA-N 438.484 2.555 0 50 IFAA CNC(=O)C[C@H](NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O)c1ccccc1 225475662 HVHQUZPISXSISF-MSOLQXFVSA-N 444.329 2.796 0 50 IFAA CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(N)=O)CC2)CC1 252505802 NFLMBAJPCIVHSK-BVSLBCMMSA-N 427.589 2.900 0 50 IFAA biogenic COc1ccc(C[C@]2(CCC(=O)NC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)CCC(=O)N2)cc1 824661811 AOWMFUWDWBIZPG-TVYFSTRLSA-N 426.557 2.867 0 50 IFAA CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2OCC(F)(F)F)c1=O 872252454 DTPJJRFCVGSSSO-UHFFFAOYSA-N 439.365 2.902 0 50 IFAA Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](c4ccccc4)CC3=O)c2)no1 1440674 BMNKUXTUJLSGSR-QGZVFWFLSA-N 425.466 2.940 0 50 IFAA N=C(NC(=O)OCc1ccccc1)N(CCC[C@@H](N)C(=O)O)C(=O)OCc1ccccc1 4536330 YPUMRXRWHYQIPH-GOSISDBHSA-N 442.472 2.678 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2=O)cc1 6553090 IRBACUXAMQGEEZ-LJQANCHMSA-N 440.496 2.687 0 50 IFAA CCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccco3)C(=O)CCC(=O)O)C2=O)cc1 9762301 ZISDUUZIUAZXNF-GOSISDBHSA-N 428.441 2.594 0 50 IFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1 11661684 JNSLOMYUNNAVBH-LJQANCHMSA-N 425.920 2.532 0 50 IFAA O=C(NCCc1cn2cccnc2n1)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 12317425 LIJVYLZEWKRQKO-QGZVFWFLSA-N 425.920 2.523 0 50 IFAA CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCCCc1ccncc1)C2 14541727 FDSQEAQYUAENEX-LJQANCHMSA-N 427.618 2.957 0 50 IFAA C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(Cl)s3)CCN2C1=O 14733610 FOGCWDRCGGDKRI-BJZITVGISA-N 433.961 2.518 0 50 IFAA CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)cc1 59749709 RHJORXGGORQXGH-INIZCTEOSA-N 438.594 2.876 0 50 IFAA COc1ccccc1CN1C[C@@H](C(=O)N2CCCN(Cc3cccs3)CC2)CC1=O 1506403750 DFWSNMYSFMCVQD-IBGZPJMESA-N 427.570 2.840 0 50 IFAA O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cccc3ccnn23)CC1 1857678318 VOGINDGRDMKFAU-QHCPKHFHSA-N 438.503 2.744 0 50 IFAA Cc1cccc(OCC(=O)N[C@@H](CNC(=O)C[C@H]2CCCNC(=O)C2)C2CCCCC2)c1 1875344203 HDHJBNAOQUPMHC-UGKGYDQZSA-N 443.588 2.862 0 50 IFAA Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCSc1nc2ccccc2s1 1287615 CLOUHBWZPVLQHT-UHFFFAOYSA-N 438.332 2.588 0 50 IFAA COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1cccs1 2672488 SFBGHANYRHUWLH-HKBKRHGFSA-N 446.575 2.548 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCn2c(C)cc3ccccc32)cc1C 12431447 AQLMCOKYTJLODW-HSZRJFAPSA-N 448.567 2.774 0 50 IFAA C[C@@H](c1ccon1)N(C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 12453868 IZSPKQKCGBJNPN-BVZFJXPGSA-N 446.507 2.919 0 50 IFAA COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccs3)CC2)C1=O 14534548 UFIPTVYDOOFBNL-UHFFFAOYSA-N 441.553 2.763 0 50 IFAA CN1CCCN(C(=O)c2cc(NCc3ccoc3)cc(S(=O)(=O)NC(C)(C)C)c2)CC1 14741804 YYZPMZITUZZXNE-UHFFFAOYSA-N 448.589 2.746 0 50 IFAA CN(C)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1-c1ccco1 15003555 DIIQSFBAYDGZIC-UHFFFAOYSA-N 428.496 2.979 0 50 IFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)N(C)c2cccc(C)c2)C2=C1C(=O)OC2 169764781 ZGAIQJZFNBEARY-QFIPXVFZSA-N 435.480 2.934 0 50 IFAA CCC(CC)[C@H](CNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCOCC1 240465973 GBUUHRBHCGVYAV-CZYKHXBRSA-N 447.620 2.606 0 50 IFAA COc1ccc2[nH]cc(CC(=O)N3CCN([C@@H]4CCN(c5ccccc5)C4=O)CC3)c2c1 303564911 XPGKFTVIMUVFHM-HSZRJFAPSA-N 432.524 2.669 0 50 IFAA CC(C)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O)c1nnc2ccccn12 409414879 QMRVFTLYUYCNQY-MSOLQXFVSA-N 434.500 2.838 0 50 IFAA CS(=O)(=O)c1ccc(CCNC(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)cc1 1875261852 CWDBBHJVRFHTCZ-INIZCTEOSA-N 446.447 2.564 0 50 IFAA CC(C)(C)OC(=O)N1CC2(CCC2)CC[C@@H]1C(=O)N1CCC[C@H](c2cc(C(N)=O)n[nH]2)C1 1875325644 RFWLJHKZQUBDEX-MAUKXSAKSA-N 445.564 2.784 0 50 IFAA Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3Cc4[nH]c(=N)nc(O)c4C3)[C@H]2c2cccs2)cc1 2325825758 AEIDGSOYMQCGHJ-QRWLVFNGSA-N 449.536 2.991 0 50 IFAA CN(C(=O)c1cnc([C@H]2CCCO2)s1)C1CC(NC(=O)[C@]2(C)CC(C3CC3)=NO2)C1 2325829458 KMVLEQDRTQDSTC-PGMXGWCJSA-N 432.546 2.659 0 50 IFAA O=C1CC[C@@H](N2Cc3c(C(=O)NCc4cccc5ccccc45)cccc3C2=O)C(=O)N1 2325886625 CTQQLOZACRILKI-OAQYLSRUSA-N 427.460 2.531 0 50 IFAA CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1127497 GBADPIYAQNZWOI-UHFFFAOYSA-N 431.514 2.554 0 50 IFAA COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccc(C)cc2)n1C 2841132 RHHAFGXGAFHXKI-UHFFFAOYSA-N 425.514 2.793 0 50 IFAA COC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 5023226 PJKOLNKWGPPYIW-QFBILLFUSA-N 430.526 2.893 0 50 IFAA O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 11945130 OVIIYDKMDREOKM-CYBMUJFWSA-N 431.495 2.704 0 50 IFAA O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCN(c2ccc(F)cc2)CC1 12325029 SECRHLRZYCRYQD-UHFFFAOYSA-N 435.503 2.724 0 50 IFAA COc1cc(CNCCc2ccc(Cl)cc2)ccc1OC[C@H](O)CN1CCOCC1 14966056 VCWNFTDKGCMVMI-OAQYLSRUSA-N 434.964 2.753 0 50 IFAA CCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C[C@@H](O)c2ccccc2)c1=O 14995410 RDDRLXPYCFGISL-JOCHJYFZSA-N 439.556 2.984 0 50 IFAA C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(c4ccc(F)cc4)CC3)c2C(N)=O)C1 17097050 MZJKNLUNFCMKCI-CQSZACIVSA-N 430.549 2.872 0 50 IFAA COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3N3CCCN23)cc1 138564896 ALKCFVQKXGUQPN-IPMKNSEASA-N 442.313 2.993 0 50 IFAA COc1ccc(Cn2c(C3CCN(C(=O)c4c(F)cccc4F)CC3)n[nH]c2=O)cc1 169770689 REETZEOROASGEY-UHFFFAOYSA-N 428.439 2.926 0 50 IFAA COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)cc1OC 245232260 SAKMJRLYVPELEG-JTDSTZFVSA-N 442.365 2.947 0 50 IFAA CN(C[C@@H]1CCCCO1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O 299766774 HEYBRJJMVCSUPM-OFVILXPXSA-N 435.524 2.696 0 50 IFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2cccc(C(F)(F)F)n2)CC1 1857723193 WGAZBNFHWVJNNR-UHFFFAOYSA-N 435.450 2.917 0 50 IFAA C[C@H](C(=O)N1CC2(CC2)C[C@@H]1CNC(=O)c1cc2nn[nH]c2cc1F)c1cccc(O)c1 1875360011 WJXVPYVQTVFNHX-DZGCQCFKSA-N 437.475 2.717 0 50 IFAA CC(C)(C)c1cc(C(=O)N2CCC[S@@](=O)(=NC(=O)c3cccc4c3OCO4)CC2)no1 2332238418 SXUVNGOHRBVXHW-HKBQPEDESA-N 447.513 2.855 0 50 IFAA CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 8602722 ZOXRVKDWEYGIIS-MRXNPFEDSA-N 448.545 2.551 0 50 IFAA COc1ccc(CNCCCOc2cccnc2)cc1OC[C@@H](O)CN1CCCCC1 12304006 CJXMBXBURNVITF-NRFANRHFSA-N 429.561 2.875 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 12410990 LHFOBMNSAPZYCO-FQEVSTJZSA-N 441.915 2.971 0 50 IFAA O=C(Nc1ccc(Cl)cc1)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)N2C1 14532896 WFUIXDVLTHSWAA-BZSNNMDCSA-N 447.322 2.826 0 50 IFAA C[C@H](C1CCN(C(=O)CCc2nnc(CCc3ccccc3)o2)CC1)N1CCOCC1 19740073 SLYOQSDLUGEGDI-LJQANCHMSA-N 426.561 2.747 0 50 IFAA O=C(NCc1ccccc1)N1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20541082 HWNJYVTUMNCCIU-QFIPXVFZSA-N 436.556 2.907 0 50 IFAA Cc1cccc(-n2ccnc2CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c1 20906224 NASBGNSXADARDE-DEOSSOPVSA-N 425.621 2.922 0 50 IFAA NC(=O)c1cncc(-c2cccc3c2O[C@H](CNC(=O)c2ccccc2-n2cccn2)C3)c1 20999122 JZDIUXFMZPJVIW-IBGZPJMESA-N 439.475 2.767 0 50 IFAA Cc1cccc(Nc2ccc(N3CCN(C(=O)Cn4cnc5ccccc54)CC3)nn2)n1 49343631 JUANWXPJGCZVBF-UHFFFAOYSA-N 428.500 2.622 0 50 IFAA C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101146048 XSNLHIWRTQZZSU-KMNSEVKQSA-N 434.286 2.595 0 50 IFAA O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 206256974 AXQPAZWAWISEDI-GOSISDBHSA-N 445.903 2.644 0 50 IFAA O=S(=O)(CCN1CC[C@@H](Nc2ccccc2)C1)CCN1CC[C@@H](Nc2ccccc2)C1 229551145 GRPVNXRDCZTFJI-DNQXCXABSA-N 442.629 2.774 0 50 IFAA O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)NCCCc1nc(-c2ccccc2)no1 252533154 FZUPVNNFJKRJCO-GOSISDBHSA-N 433.468 2.966 0 50 IFAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C)OCCO5 257359274 ZIQSUIGZEYCTRR-HRHJECGOSA-N 446.540 2.735 0 50 IFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)Cc2cc(F)c(F)c(F)c2)cc1OC 1529105517 DVGNMGQHUJLCQB-WIYYLYMNSA-N 425.403 2.625 0 50 IFAA O=C(Nc1cccc(F)c1F)C(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F 1875327513 XXEMRVLSMQEMDM-NSHDSACASA-N 427.329 2.540 0 50 IFAA CCOC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OCC)C1c1ccc2c(c1)OCO2 1065948 NCFACNGGPDBOMC-INIZCTEOSA-N 429.469 2.888 0 50 IFAA CCOC(=O)N1CCC(NC(=O)c2sc3ncnc(NC[C@@H]4CCCO4)c3c2C)CC1 11966122 MCENZKJADTZQLJ-HNNXBMFYSA-N 447.561 2.941 0 50 IFAA COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CC[C@@H](N(C)C)C4)c3C)ncc1CC2 14987786 CXPYOCGUVKOHIF-GOSISDBHSA-N 432.528 2.521 0 50 IFAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)CC1 15919202 UFOOOPVRGSPMLO-UHFFFAOYSA-N 437.562 2.520 0 50 IFAA O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C(=O)N1c1ccc(F)cc1 226930589 ZPUIQBHQSAJUFT-FBAVSBLXSA-N 425.847 2.910 0 50 IFAA COC(=O)c1cn(CCSCc2nc(O)c3c(C)c(C)sc3n2)cc2c(=O)[nH]nc1-2 263587052 BLUJUKWADVTFAX-UHFFFAOYSA-N 445.526 2.723 0 50 IFAA CCc1cccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccccc5)no4)c3C2=O)c1 263618353 SOABSGURPYEBFP-UHFFFAOYSA-N 443.467 2.652 0 50 IFAA C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ncc(-c2ccccc2)o1 741314860 RBOBKUMXQGRPPQ-HNNXBMFYSA-N 445.497 2.619 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)c1cccc2nc(O)[nH]c12 1875288123 OCROVTIAALDMEB-ZDUSSCGKSA-N 440.467 2.990 0 50 IFAA CCN1C(=O)c2ccc(C(=O)N3CCc4ccc(OC)cc4[C@@H](C)C3)cc2S1(=O)=O 2325700999 BKAHVWGXKDVWDD-AWEZNQCLSA-N 428.510 2.662 0 50 IFAA CCNC(=O)C[C@H]1C(=O)N(Cc2ccc(F)cc2)C(=S)N1Cc1ccc(OC)cc1 1069920 HZLGFKZURIWAOO-IBGZPJMESA-N 429.517 2.858 0 50 IFAA CCCCN(CC)CCNC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O 8595960 WTTXLVATGXFNEU-UHFFFAOYSA-N 429.496 2.819 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)c1ccc(Br)o1 9268472 BSHNJQBRRJLGEV-GFCCVEGCSA-N 429.292 2.752 0 50 IFAA CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN(c2nc(C)c3ccc(OC)cc3n2)C1)C(=O)OC 11789038 FMEOKMASXOQVMB-NBQZKYEYSA-N 428.533 2.867 0 50 IFAA Cc1ccc2cc(CN3CCC[C@H]3CO)c(=O)n(CCS(=O)(=O)c3ccccc3)c2c1 12150244 VAKFVVGYUVVDLA-NRFANRHFSA-N 440.565 2.741 0 50 IFAA Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cs2)no1 16661502 JPFCHQXTTGDQNB-UHFFFAOYSA-N 432.527 2.808 0 50 IFAA O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)[C@H](O)[C@@H](O)c1nc2ccccc2s1 779543253 WLUIXYWSJBUTOC-FVQBIDKESA-N 426.416 2.559 0 50 IFAA CC(C)(C)[C@H](NC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc(=O)o[nH]1 1452154248 WIFQDUWMBRNJRZ-QGZVFWFLSA-N 429.498 2.854 0 50 IFAA O=C(N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1875313898 WSXOQMVHHNVRRY-SIKLNZKXSA-N 446.573 2.783 0 50 IFAA Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(=O)(=O)Nc1cccc(C)c1C 2873571 DFBXAFZTDQFFIV-UHFFFAOYSA-N 429.542 2.750 0 50 IFAA CC(=O)Nc1cc(CNCc2ccc3c(c2)OCO3)cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 12079669 UPNTYVWEFXQITH-IYBDPMFKSA-N 439.512 2.913 0 50 IFAA COc1ccc(NC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)cc1 12446347 MOPRZBFIHIEVLS-UHFFFAOYSA-N 430.464 2.812 0 50 IFAA COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C 14987638 JZIIIPWFEYRFHG-IBGZPJMESA-N 449.555 2.910 0 50 IFAA Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCC1(N3CCOCC3)CCCCCC1)C2 23250374 FLXZMIMCNITNMR-FQEVSTJZSA-N 443.636 2.528 0 50 IFAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1 36445046 NKKZYDMPAIFQFB-UHFFFAOYSA-N 438.915 2.921 0 50 IFAA CN(Cc1nc2ccccc2[nH]1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl 53537558 SHNZUMPJXITYRE-IBGZPJMESA-N 443.910 2.705 0 50 IFAA COc1cc(CCC(=O)N2CCOC[C@@H]2c2nc(C)no2)ccc1OCC(F)(F)F 170594337 BYOCEWGCONFUKI-CQSZACIVSA-N 429.395 2.860 0 50 IFAA CSCC[C@H](C(=O)NCCCc1nc2ccccc2[nH]1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 247510177 ICJHWPJNBNCYFW-GPMSIDNRSA-N 442.585 2.909 0 50 IFAA Cc1cccc(C)c1NC(=O)CN1CCn2nnc(-c3nc(-c4ccccc4)no3)c2C1=O 263619166 XHHHWHDFENCULY-UHFFFAOYSA-N 443.467 2.706 0 50 IFAA C[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c2ncnn21 1470089682 XZXMVUYENODLSL-ZBEGNZNMSA-N 447.904 2.874 0 50 IFAA N=c1nc(N2C[C@@H]3c4cccc5c4OC[C@]3(CNC(=O)CCc3cccc(c3)O5)C2)cc[nH]1 1857726474 SUHQDQXOVJAWLE-CLOONOSVSA-N 443.507 2.726 0 50 IFAA Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[S@](=O)(=NC(=O)[C@H]2CC2(C)C)CC1 2332238571 CZFMOGDMNSYGKU-ILHIWHGASA-N 447.586 2.795 0 50 IFAA CCOc1cc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)ccc1O 6600483 KIMHTUFULCKHRS-KEYYUXOJSA-N 430.404 2.956 0 50 IFAA CC[C@H](C)CC(=O)N1CCC([C@@]2(Cc3cccc(F)c3)NC(=O)N(CCOC)C2=O)CC1 12099208 QYEIOXKECANWFI-BXKMTCNYSA-N 447.551 2.980 0 50 IFAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCN(c3ccccc3O)CC1)C2 14535363 YAKKOHKSLDWCRR-IBGZPJMESA-N 437.588 2.821 0 50 IFAA COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2N2CCCN12 19171462 PMSDETNOPBQOLI-OTWHNJEPSA-N 442.313 2.993 0 50 IFAA COCCS(=O)(=O)c1ncc(CN2CCc3sccc3C2)n1Cc1ccccc1 20998228 NEXTZMRJQUXZGF-UHFFFAOYSA-N 431.583 2.971 0 50 IFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 21795690 WYWBVMBKZKQMIS-UHFFFAOYSA-N 429.956 2.544 0 50 IFAA C[C@H](CCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 118912564 IFQRFKVUXUJKEV-DYJKYIIYSA-N 444.634 2.862 0 50 IFAA COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)ccc1OC 209311712 RTRXCFVUOVPMQV-YLJYHZDGSA-N 430.505 2.672 0 50 IFAA O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 247812574 BDSKBRPHWHGMNR-OKZBNKHCSA-N 433.574 2.567 0 50 IFAA COC(=O)C1(C(=O)N2CC[C@](c3nc(-c4cccc(F)c4)no3)(C(F)(F)F)C2)CC1 952891610 AUHNSYVWIZQYKV-SFHVURJKSA-N 427.354 2.861 0 50 IFAA CCc1ccc2c(c1)[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)CCO2 1466729702 LRDDCSMYXDYLLM-JRGCBEDISA-N 426.488 2.532 0 50 IFAA Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1C 1848442303 FPWAIEHASDWCPT-MRXNPFEDSA-N 428.872 2.876 0 50 IFAA O=C(NCc1nc(=O)o[nH]1)N1CCC[C@@]2(CCN(Cc3ccc(Cl)c(Cl)c3)C2)C1 1857531387 PIGSCPWIQJFCIU-IBGZPJMESA-N 440.331 2.867 0 50 IFAA COC(=O)c1ccc2c(=O)n(CCc3nc(-c4ccc(Cl)cc4)no3)c(O)nc2c1 1875252327 SNLNFYWAVUQEIA-UHFFFAOYSA-N 426.816 2.835 0 50 IFAA Cc1cn2c(n1)C[C@@H](C(=O)NCC[C@H]1CN(c3ncnc4n[nH]cc34)c3ccccc31)CC2 1875287813 AKRITRPICKZASD-IRXDYDNUSA-N 442.527 2.862 0 50 IFAA O=C(NC[C@@H]1CC2(CCOCC2)CN1C(=O)c1ccc2cc(O)ccc2c1)c1cccnn1 2332239593 VRBDIVKOOFLTFC-FQEVSTJZSA-N 446.507 2.777 0 50 IFAA COc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1OC 811836 LBUFPCCLQFVSDJ-UHFFFAOYSA-N 432.542 2.776 0 50 IFAA COc1ccccc1-c1cc(C(=O)NC[C@H]2COc3ccccc3O2)cc(-n2cnnn2)c1 11813727 NTISYFKYAGXHFV-IBGZPJMESA-N 443.463 2.908 0 50 IFAA CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(OC)c(OC)c1OC)CC2)C(C)C 14885267 JGHUSCWXRYEAAE-HXUWFJFHSA-N 445.564 2.586 0 50 IFAA COc1ccc(C(=O)Nc2cccc3c2CNC3=O)cc1S(=O)(=O)N1CCCCCC1 242140823 WPMYJNRJVIPOMQ-UHFFFAOYSA-N 443.525 2.756 0 50 IFAA CC(=O)N1CCc2cc(C(=O)NC[C@H](CO)Cc3cccc(Br)c3)ccc21 430152988 URWAIXBZPAYKLF-MRXNPFEDSA-N 431.330 2.939 0 50 IFAA Cc1ccc2nc([C@@H]3CCCN(C(=O)C4=NN(c5ccccc5)C(=O)[C@H](C)N4)C3)[nH]c2c1 752854476 GKLVOWKICRMOKX-DLBZAZTESA-N 430.512 2.916 0 50 IFAA CC1(C)CCCC[C@@H]1COC(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325886789 JBLKMAGTNVDBHU-MJGOQNOKSA-N 441.528 2.890 0 50 IFAA O=C1OCCN1CCNCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 11663607 NGQDZTKTALRJCM-UHFFFAOYSA-N 433.940 2.936 0 50 IFAA O=C(CN1CCc2ccccc2C1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 11664911 LSDJWPMGVRHUKH-QHCPKHFHSA-N 436.575 2.997 0 50 IFAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)C1CCN(C)CC1)CC2 14539603 NTFBBMBGTQCAEJ-UHFFFAOYSA-N 438.572 2.919 0 50 IFAA CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1 14739972 VFDMTSYBTPAPGS-UHFFFAOYSA-N 426.589 2.998 0 50 IFAA COc1ccc(CNCc2ccc(C)c(F)c2)cc1OC[C@@H](O)CN1CCCN(C)CC1 23373102 SHSHEEHIFINXOD-QFIPXVFZSA-N 445.579 2.810 0 50 IFAA O=C1NCCN(Cc2cccc(F)c2)[C@@H]1CC(=O)N1CCC(Oc2cccc(F)c2)CC1 55074179 QFHKAFCOVHOPRA-JOCHJYFZSA-N 443.494 2.725 0 50 IFAA COc1cccc(C(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)c1OC 72433982 VAQMIRNXQWRUCP-UHFFFAOYSA-N 434.500 2.903 0 50 IFAA O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 100308848 MOWVSZAFYOSXCY-IBGZPJMESA-N 428.330 2.899 0 50 IFAA CCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2nccs2)C1 241809982 SCEAUNDPRMGEHX-KRWDZBQOSA-N 431.566 2.601 0 50 IFAA O=C(NCCn1c(O)nc2ccccc21)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1 752753996 IIUUOTMZAGZAOX-UHFFFAOYSA-N 441.447 2.577 0 50 IFAA O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)[C@@H](O)[C@H](O)c1nc2ccccc2s1 779543254 WLUIXYWSJBUTOC-KBMXLJTQSA-N 426.416 2.559 0 50 IFAA Cc1ccc(F)c(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)c1 1857719122 DMNBUCRZGITTEC-UHFFFAOYSA-N 426.492 2.587 0 50 IFAA CS(=O)(=O)c1ccc(CCNC(=O)N[C@H](CO)c2ccccc2OC(F)(F)F)cc1 1875261853 CWDBBHJVRFHTCZ-MRXNPFEDSA-N 446.447 2.564 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CCCC[C@@H]4c4ccccc4)ccc3C2=O)C(=O)N1 2325895768 JDVQSTOWIHKVRY-NHCUHLMSSA-N 431.492 2.815 0 50 IFAA Cc1nn(CC(=O)Nc2ccn(Cc3ccccc3)n2)c(C)c1I 1430663 LZSUEMZGHSZXKO-UHFFFAOYSA-N 435.269 2.988 0 50 IFAA COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCN(C3CCSCC3)CC2)C1=O 11869968 BVNMOHZSYWATNG-QHCPKHFHSA-N 449.592 2.913 0 50 IFAA CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1ccc3c(c1)OCO3)CC2 12039028 CRXCOSTXDODVHR-QFIPXVFZSA-N 448.527 2.587 0 50 IFAA COC(=O)CC[C@@H](C)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 12712602 MMXHDIFUPOWSJI-MRXNPFEDSA-N 439.984 2.816 0 50 IFAA CCOc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 13841355 MTOJCRGXCJBKDI-UHFFFAOYSA-N 435.571 2.797 0 50 IFAA COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)c(OC)c1 14948835 CKWYFLHMJBGWJF-SFHVURJKSA-N 431.577 2.889 0 50 IFAA C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1 14994433 HOYIRDHSGPBIDN-IRLDBZIGSA-N 448.567 2.826 0 50 IFAA CC(C)(C)c1ccccc1S(=O)(=O)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 170619825 VSZWRJSIPKXVCJ-QGZVFWFLSA-N 427.526 2.857 0 50 IFAA COCCCn1c(C)cc(O)c([C@@H](CC(=O)OC)c2coc3ccccc3c2=O)c1=O 824396319 GQLIKZYRDILKPE-INIZCTEOSA-N 427.453 2.700 0 50 IFAA biogenic O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1)Nc1cccc(NC(=O)c2cccnc2)c1 952967747 MHLYLSMWZYJMNY-QFIPXVFZSA-N 443.507 2.663 0 50 IFAA COc1cc(Cl)c(S(=O)(=O)N2CCN(c3ncnc(C)c3C)CC2)cc1Cl 952977281 BOTLVXKTUFTUCJ-UHFFFAOYSA-N 431.345 2.920 0 50 IFAA Cc1cc(=NC(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)nc2nc(C(F)(F)F)[nH]n12 1322438314 NWKFLJISOUSSSQ-AWEZNQCLSA-N 447.483 2.584 0 50 IFAA C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1)C(=O)Nc1cccc(N2CCCC2)c1 1875254619 WKTOKSBMIFQMCU-JWNTYJGQSA-N 434.540 2.950 0 50 IFAA COc1ccc(C)cc1-n1ccc(C(=O)NS(=O)(=O)c2ccc(C)c(C(C)=O)c2)n1 1875258987 GTGBKLVSXXMCGZ-UHFFFAOYSA-N 427.482 2.819 0 50 IFAA O=C(N[C@H](CN1CCOCC1)C12CC3CC(CC(C3)C1)C2)c1nnc2ccccc2c1O 2325842989 OXECYTDKKGKNLM-HJFDCUHHSA-N 436.556 2.982 0 50 IFAA Cc1ccc(Cl)cc1N(CC(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O 1150066 ORCOGRFLFWBFOK-UHFFFAOYSA-N 439.940 2.902 0 50 IFAA COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccc3c(c2)OCO3)c1 3665894 JATGXQNRXIMVFM-DEOSSOPVSA-N 447.447 2.938 0 50 IFAA CO[C@@H](CNC(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1)c1cccs1 12281398 OSASLDCRTCFAHE-SFHVURJKSA-N 428.514 2.856 0 50 IFAA Cc1ccc(CNC(=O)c2cn(CCc3ccccn3)cc(C(=O)NCC3CC3)c2=O)cc1 14974409 OQNZKAZADJXGPN-UHFFFAOYSA-N 444.535 2.864 0 50 IFAA CCOC(=O)N1CCN(C(=O)CC[C@@]2(Cc3ccc(SC)cc3)CCC(=O)N2)CC1 14992448 UBXBSEFPBYWZRZ-JOCHJYFZSA-N 433.574 2.681 0 50 IFAA O=S(=O)(c1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19866352 LIUBBTLNNWTSRH-UHFFFAOYSA-N 439.331 2.684 0 50 IFAA CCn1cc(CN2CCN(C(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)CC2)cn1 20607250 UFRMKTRYGAGDNV-UHFFFAOYSA-N 426.468 2.828 0 50 IFAA COC(=O)C[C@@H]1C(=O)NCCN1Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 39447925 PAINZIUKZRXZHQ-OAQYLSRUSA-N 436.487 2.850 0 50 IFAA CC(=O)c1cccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)c1 169752342 HEYJPAMVXYISSH-UHFFFAOYSA-N 434.427 2.636 0 50 IFAA Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 170602471 UWILMXMAWSKSSP-RTBURBONSA-N 446.527 2.810 0 50 IFAA O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 779543256 WLUIXYWSJBUTOC-VNQPRFMTSA-N 426.416 2.559 0 50 IFAA NC(=O)C(F)(F)[C@]1(O)CCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)C1 1875359500 GBWOZJJEBPPEDA-FQEVSTJZSA-N 445.495 2.694 0 50 IFAA C[C@@H]1Cc2ccccc2[C@@H](C)N1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325901584 MGGBFSNPQDWMNY-VTJXTGGHSA-N 431.492 2.596 0 50 IFAA Cc1cccc(CNC(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)n1 12320758 YFNISKVWOLEECT-UHFFFAOYSA-N 437.949 2.776 0 50 IFAA COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN([C@H](C)CSC)CC2 14540046 OAWUTYLKJFKPKS-QGZVFWFLSA-N 431.602 2.651 0 50 IFAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CCN(C(C)=O)CC3)c2C2CC2)n1 15006759 BMESDLGQLTUJKJ-UHFFFAOYSA-N 446.511 2.520 0 50 IFAA CCn1nc(C)c(CNC(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)c1C 77351981 OLZMNZHULGLCGI-UHFFFAOYSA-N 428.533 2.848 0 50 IFAA COCCS(=O)(=O)c1ccc(C(=O)N2CCC(O)(Cc3cccc(C)c3)CC2)cc1 225433115 OCLZVIFEOZUZGF-UHFFFAOYSA-N 431.554 2.625 0 50 IFAA Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNc2ncccn2)c2ccccc21 263585546 JXDIACHTMYYTHJ-SFHVURJKSA-N 438.532 2.632 0 50 IFAA biogenic Cn1c(=O)c2cc(NC(=O)N3CCC[C@@]4(CCCc5ccccc54)C3)cnc2n(C)c1=O 440256664 PHCQWOLBLRDQSQ-DEOSSOPVSA-N 433.512 2.534 0 50 IFAA COCCCN[C@@H](C)[C@@H](O)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1875316295 HCCKEJZHMVZLHO-CKJXQJPGSA-N 431.508 2.631 0 50 IFAA CCCc1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)[C@H](OCC)C3CCOCC3)[C@@H]2C)s1 2325839370 QWYDXFYPPWXPPV-SZVBFZGTSA-N 437.606 2.955 0 50 IFAA CCOC1CC(C(=O)N2CCC([S@](C)(=O)=NC(=O)c3cccc(SC)n3)CC2)C1 2325886431 XHRXRXIRAIGCLW-SQKRMCQKSA-N 439.603 2.848 0 50 IFAA C[C@@H]1Cc2cc(N)ccc2N1Cc1ccoc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 2325899704 RVFYDPGSDPNDKH-CYBMUJFWSA-N 426.498 2.713 0 50 IFAA COc1ccc(C(=O)CSc2nnc(CCNC(=O)c3ccc(OC)cc3)n2C)cc1 1059206 CUZHSXQEHNWTBN-UHFFFAOYSA-N 440.525 2.780 0 50 IFAA CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 2884106 KBXCXVDLDGIFIC-UHFFFAOYSA-N 440.905 2.785 0 50 IFAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 4536456 SWPXBDJUGLEKES-VQTJNVASSA-N 428.485 2.544 0 50 IFAA biogenic,in-vitro CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccc(OC)cc2)n1)c1ccccc1Cl 12413247 FQIVGRFJCWFWOQ-GOSISDBHSA-N 443.891 2.813 0 50 IFAA O=C(CCc1ccncc1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 14531584 RFQAWWRPADHZAN-HSZRJFAPSA-N 436.556 2.998 0 50 IFAA Cc1cnc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cn1 20204382 DSJIWUXZSYGNCG-QFIPXVFZSA-N 435.572 2.762 0 50 IFAA CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(C(=O)OCc3ccccc3)C[C@@H]12 97758990 VPQJFZDAFOZYOG-ROUUACIJSA-N 429.517 2.771 0 50 IFAA CCCCNC(=O)c1c(NS(=O)(=O)c2ccc(/C=C/C(=O)OCC)cc2)nc(C)n1C 170617394 ZOSCIOWYUGAUIZ-JLHYYAGUSA-N 448.545 2.636 0 50 IFAA C[C@@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)N1CCN(c2ccccc2)CC1 229666988 RQNDTFPYQVUUIS-YDHSSHFGSA-N 433.618 2.512 0 50 IFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CS(C)(=O)=O)o2)[C@@H](c2cccnc2)C1 241126026 JIZQRJJVSCXRAT-QGZVFWFLSA-N 449.529 2.653 0 50 IFAA COc1ccc(N2C(=O)N[C@H](CC(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)C2=O)cc1 248238161 NHJCFFFZQILWGN-UYAOXDASSA-N 435.484 2.900 0 50 IFAA Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 447741501 ABVBBBGTVOHNRE-VWLOTQADSA-N 443.507 2.721 0 50 IFAA Cc1ccc2nc([C@@H]3CCCN(C(=O)C4=NN(c5ccccc5)C(=O)[C@@H](C)N4)C3)[nH]c2c1 752854477 GKLVOWKICRMOKX-IAGOWNOFSA-N 430.512 2.916 0 50 IFAA O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccnn1Cc1cccc(Cl)c1Cl 1317775676 QFBNHRFUHYREJE-UHFFFAOYSA-N 435.315 2.962 0 50 IFAA NC(=O)NC(=O)c1cccc(NC(=O)[C@@H]2CCO[C@H]2c2cnn(-c3ccccc3F)c2)c1 1875329374 SOLMQVFOYWZRKF-APWZRJJASA-N 437.431 2.536 0 50 IFAA CCOC(=O)Cn1cccc(NC(=O)c2cc3cc(C(F)(F)F)ccc3c(=O)o2)c1=O 1875344286 AVNBOMASIZHIMZ-UHFFFAOYSA-N 436.342 2.789 0 50 IFAA O=C(Nc1cnn(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c1)[C@H]1CCOC1 11981996 ZVZQFLWJLQLQSU-FQEVSTJZSA-N 445.523 2.810 0 50 IFAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](N1CCN(c3ccccc3O)CC1)CC2 14750433 AZQLWGJKOXTVSS-GOSISDBHSA-N 449.555 2.670 0 50 IFAA CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 19640892 REMBCKUWFXKSOA-UHFFFAOYSA-N 444.525 2.783 0 50 IFAA Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 20046225 GJPWSVIKTFSICJ-UHFFFAOYSA-N 429.586 2.577 0 50 IFAA COc1cc(CN2CCN(Cc3ccc4nsnc4c3)C[C@@H]2CCO)cc(OC)c1 20916551 UPKTZRVDXUHNGW-SFHVURJKSA-N 428.558 2.777 0 50 IFAA CC1CCN(Cc2nc(N3CCC(NCCO)CC3)c3c4c(sc3n2)CCC4)CC1 2325721446 VCGCVUNDHXIZDR-UHFFFAOYSA-N 429.634 2.963 0 50 IFAA Cc1noc(C)c1[C@@H](C)C(=O)N=S1(=O)CCC2(CC1)C[C@@H](NC(=O)C(C)C)CCO2 2332238411 RZNLFPMYYPBXSI-AREIKZSGSA-N 439.578 2.873 0 50 IFAA C[C@H](C(=O)N1CCN(c2ccccc2F)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 1076518 RJVDCGVFCFZZGV-OAHLLOKOSA-N 439.940 2.982 0 50 IFAA O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCN(C(=O)c2ccco2)CC1 2463938 RBOCIHOBCOAUFZ-UHFFFAOYSA-N 443.301 2.885 0 50 IFAA CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)N(NC(=O)c2cccc(F)c2)C1=S 2729454 KPTRIIKHUDTJEP-GOSISDBHSA-N 442.516 2.934 0 50 IFAA Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc2c(c1)OCO2)OCC3 9058840 JPHHVRWWYWAJTF-QFIPXVFZSA-N 431.448 2.554 0 50 IFAA O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 9085921 QJWNFAUNTNXNEY-IBGZPJMESA-N 436.961 2.869 0 50 IFAA O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)NCc1ccccc1 9235323 ITUJDYJHXISXHW-UHFFFAOYSA-N 436.541 2.860 0 50 IFAA CCc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)cc2F)cc1 11813580 YHBNTMHKNZTMJO-JOCHJYFZSA-N 427.520 2.746 0 50 IFAA NS(=O)(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 18211644 UGRNAMCLIKFIJF-JQBYJRRVSA-N 430.485 2.731 0 50 IFAA CN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 36289164 ANZBIHUXXOMXEY-UHFFFAOYSA-N 449.381 2.762 0 50 IFAA CN1CCN(c2cc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)ncn2)CC1 72119250 YFPMDNISJKMKDD-UHFFFAOYSA-N 449.481 2.601 0 50 IFAA CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1N1C(=O)c2ccccc2C1=O 141765038 NKWDXXRTRBDFKO-FXSVLNLJSA-N 441.505 2.604 0 50 IFAA in-vitro COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ncn3)cc2)c(OC)c1 945497 MYNUVQILBYYPIP-UHFFFAOYSA-N 444.469 2.556 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccccc1 6489300 OSQZKPQOLBSKTH-SRKIZSPNSA-N 448.500 2.527 0 50 IFAA Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1ccc(F)c(F)c1)CC2 11813503 LIPVOHATTJPYSZ-MQDFFIGUSA-N 430.455 2.957 0 50 IFAA CN(Cc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(=O)[nH]1)C1CCCCC1 12208260 SVSLHDLLWSSJFK-UHFFFAOYSA-N 444.620 2.904 0 50 IFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)C2=NNC(=O)CC2)O3)c1 12218545 CWULPPFAEVNPRR-HNNXBMFYSA-N 443.887 2.710 0 50 IFAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Br)cc1 13154660 NTNFVQUAJMSDFP-RCJHGTSTSA-N 427.291 2.615 0 50 IFAA COc1ccc(CNCCCN2CCOCC2)cc1OC[C@@H](O)CN1CCCCCCC1 14948797 ACLYADCTBQAJSS-QHCPKHFHSA-N 449.636 2.513 0 50 IFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N1CCN(C3CCCC3)CC1)C2 23353476 AUVRCJAABBYITQ-LJQANCHMSA-N 431.650 2.510 0 50 IFAA COc1cccc(C(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c1OC 72437878 ZDFOYQYTGAPMHU-UHFFFAOYSA-N 425.533 2.755 0 50 IFAA Cc1[nH]c(/C=C2/C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)N[C@H]1CCN(C(=O)N(C)C)C1 213900053 KMIOJWCYOHBUJS-ADFUCPMPSA-N 439.491 2.749 0 50 IFAA CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253499814 OTLJDTMBQKLRPK-MSYXAEDVSA-N 448.556 2.715 0 50 IFAA biogenic CCCCc1nc(CN2CCOc3ccc(CN4CCN(C(C)=O)CC4)cc3C2)c[nH]1 299792142 FNJGFCJWIURGFF-UHFFFAOYSA-N 425.577 2.811 0 50 IFAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)C1CCN(C(=O)c2ccccc2Cl)CC1 1704355289 PHXSSZLAOMXOQP-NQIIRXRSSA-N 427.932 2.961 0 50 IFAA C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccsc1C(=O)NC[C@H]1CCCCN1 1857527111 YSKIILWIVKUNEZ-NVXWUHKLSA-N 433.599 2.928 0 50 IFAA O=C(c1cnc2cccnn12)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857707669 YBJGKBLLNCQRNZ-FQEVSTJZSA-N 447.539 2.968 0 50 IFAA O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 1875253196 QMCXVGJZOXYSFF-SJBKTWHCSA-N 443.503 2.924 0 50 IFAA C=CC(=O)N1CCC[C@@H](C(=O)N=[S@@]2(=O)CCOc3ccc(Br)cc32)C1 1875371995 SWMMCWYHBXDAGS-XELLLNAOSA-N 427.320 2.620 0 50 IFAA O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CCOCC1 1186134 XLAOVTVJQWYXJA-UHFFFAOYSA-N 428.432 2.760 0 50 IFAA CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1893961 MICRODNJZKNSMX-NHCUHLMSSA-N 436.508 2.988 0 50 IFAA CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)OC 5706733 YAMQCWSSFXUFGP-DQLDELGASA-N 442.512 2.934 0 50 IFAA COc1ccccc1CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10516651 QBVOEFMZDCEROF-UHFFFAOYSA-N 434.422 2.685 0 50 IFAA COC1CCN(C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC1 12244094 MDZDJAYJAQPBHJ-OAQYLSRUSA-N 438.446 2.892 0 50 IFAA COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(OC)c1 16400317 CCBJGSXAKDAUNB-UHFFFAOYSA-N 433.530 2.859 0 50 IFAA NC(=O)[C@@H]1CCCN1Cc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 170617479 HSEWTOPHMURUHS-KRWDZBQOSA-N 427.448 2.956 0 50 IFAA CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 776570563 CKNSCGXWELZINO-INIZCTEOSA-N 430.530 2.919 0 50 IFAA CS(=O)(=O)N1CCC(c2nnc3sc(-c4ccccc4Br)nn23)CC1 820318033 BGJRGSDBRRGXIY-UHFFFAOYSA-N 442.364 2.754 0 50 IFAA O=C(C[C@@H]1CSCCS1)NCCN(CCc1ccccc1)C(=O)c1ccnc(O)c1 1875347130 IEKPSLCVQLETIF-LJQANCHMSA-N 445.610 2.827 0 50 IFAA CCOCCO[C@H](C)C(=O)N[C@H](c1cn(-c2cnccc2C(=O)O)nn1)C1CCCCC1 1875356380 UVKVOUKPJMAAGL-QRWLVFNGSA-N 445.520 2.540 0 50 IFAA C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325886657 DOXYPNMBCGETHY-LVXARBLLSA-N 445.519 2.642 0 50 IFAA COc1cccc(N2C[C@@H](N=c3[nH]oc(-c4ccc(F)c(OC)c4)c3C(=O)O)CC2=O)c1 2356155083 WPAVPNOLBBUFPA-ZDUSSCGKSA-N 441.415 2.835 0 50 IFAA O=C(NC(=S)Nc1ccc(I)cn1)c1ccc2c(c1)OCCO2 724756 QCVXSCUHOBMFDF-UHFFFAOYSA-N 441.250 2.584 0 50 IFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n1 954841 UCKVLQQSECZBSY-UHFFFAOYSA-N 440.481 2.918 0 50 IFAA CC[C@@H](Sc1nnc(N)s1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)OC 2876786 LJAWLFODFCTBQI-QWHCGFSZSA-N 426.589 2.582 0 50 IFAA COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc(OCCO)cc3)C2)CC1 19635486 DTMGVDWBNKLNRX-QFIPXVFZSA-N 425.573 2.853 0 50 IFAA COc1ccc(CN(C)Cc2ccccc2Cl)c(OC[C@H](O)CN2CCN(C)CC2)c1 20600296 SJBCXGHCQUJWAP-OAQYLSRUSA-N 448.007 2.968 0 50 IFAA CCCN1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2COC)CC1 64074197 CBXCRGZOZTWIQI-UHFFFAOYSA-N 446.555 2.742 0 50 IFAA NC[C@H]1Cc2cc(-c3cc(C(=O)O)cc(S(=O)(=O)N4CCCCCC4)c3)ccc2O1 72143925 CBIRQTZFFXAHNZ-LJQANCHMSA-N 430.526 2.879 0 50 IFAA Oc1ccccc1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 169816080 ZKMQMUPVWJRDCN-UHFFFAOYSA-N 443.134 2.770 0 50 IFAA C[C@@H](CCC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C 225496603 YJTLVQVMOJLAEW-DZGCQCFKSA-N 440.566 2.752 0 50 IFAA CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 252668981 GCHTWIYCYACSIH-RBUKOAKNSA-N 438.613 2.521 0 50 IFAA C[C@@H]1CN2C[C@@H](NC(=O)C3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C[C@H]2CO1 1857730122 YUVKQBBOFZTREI-WTNAPCKOSA-N 427.589 2.814 0 50 IFAA Cc1cs/c(=N\c2ccc3c(c2)OCCO3)n1[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1875256802 AGELSOGCSWPFPF-PVOMABQWSA-N 436.555 2.770 0 50 IFAA CN1CCN([C@@H]2CCN(C(=O)Nc3ccc(C(=O)NCCc4ccccc4)cc3)C2)CC1 1875311100 MSVGNGLRTRJDBI-HSZRJFAPSA-N 435.572 2.513 0 50 IFAA Cc1cc(Br)cc2cc(CNC(=O)CN3C(=O)NC4(CCCC4)C3=O)[nH]c12 2325824088 OXGUWVTWOQWKRU-UHFFFAOYSA-N 433.306 2.720 0 50 IFAA C[C@H](Sc1nc(CC(=O)Nc2nnc(C3(C(F)(F)F)CC3)s2)cs1)C(N)=O 2325852475 HMMHEGZWYNFFHJ-LURJTMIESA-N 437.494 2.736 0 50 IFAA O=C(NCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 6492131 HJVBLAAZDWCHSP-CQSZACIVSA-N 438.347 2.561 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1cccs1 8425300 APNHBUKSBRIQBQ-FYXHJSOBSA-N 428.510 2.999 0 50 IFAA COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN21 9347968 ZPKGMTPGTKOPNI-CROMWVBPSA-N 437.883 2.780 0 50 IFAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2sc3ncnc(NCCOC)c3c2C)C1 299776686 KLIJFPZTAJAOJF-HNNXBMFYSA-N 433.578 2.779 0 50 IFAA Cc1cc(-c2noc(CCC(=O)N3CCC([C@H](O)c4nccn4C)CC3)n2)ccc1F 772574779 AOPNPODEIKUCMF-FQEVSTJZSA-N 427.480 2.822 0 50 IFAA O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCCc1c[nH]c2ccc(Cl)cc12 888090849 XOZYRKNRVQLIGM-GOSISDBHSA-N 428.876 2.974 0 50 IFAA CN(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1F 1875317426 YWBGWPILVMMKLN-UHFFFAOYSA-N 427.397 2.953 0 50 IFAA CCn1c(O)nc2ccc(C(=O)NS(=O)(=O)Nc3ccc(Br)cc3)cc21 1875336345 XJRKWIPBGPYBNP-UHFFFAOYSA-N 439.291 2.611 0 50 IFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2ccc(F)c3ncccc23)CC1=O 2325819992 XDCFFHNCOQOEHA-ZBFHGGJFSA-N 441.484 2.789 0 50 IFAA O=C(COc1cc(Cl)cc(Cl)c1)N1C[C@@H](O)[C@H](NC(=O)[C@@]23CCCC[C@H]2C3)C1 2325832787 QUKYGQYPWRRBKA-XZVYQEECSA-N 427.328 2.640 0 50 IFAA O=c1ccccn1CCNS(=O)(=O)c1cnc(-c2ccc(Br)cc2)s1 2325879161 KPSAMUDBLYURDK-UHFFFAOYSA-N 440.344 2.713 0 50 IFAA COc1ccc(CCN2C(=S)N(C)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)cc1 1185279 KLZNFDDXLDAXKF-IBGZPJMESA-N 427.526 2.703 0 50 IFAA Cc1nc(C)n(CC(=O)N(Cc2cccc(OC[C@@H]3CCOC3)c2)Cc2ccccn2)n1 12167787 BWHWHRJOHHYJOB-OAQYLSRUSA-N 435.528 2.934 0 50 IFAA CC(C)Cc1cc(C(=O)N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)no1 14887463 DJDVTRDSHVZEMY-XMMPIXPASA-N 438.528 2.936 0 50 IFAA Cc1cccc(CN2CCN(c3cccc4c3C(=O)N(Cc3nonc3C)C4=O)CC2)c1 15000349 CIPXBCVZQJMRIT-UHFFFAOYSA-N 431.496 2.805 0 50 IFAA CCS(=O)(=O)Nc1cccc(N2CCC(N[C@H](C(=O)OC)c3ccccc3)CC2)c1 23339020 GXUBBIBSLPDJJO-NRFANRHFSA-N 431.558 2.921 0 50 IFAA CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N1CCN(C3CCCC3)CC1)C2 23353473 AUVRCJAABBYITQ-IBGZPJMESA-N 431.650 2.510 0 50 IFAA CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 170626262 AWRRCMYRWOYSCI-OAHLLOKOSA-N 438.347 2.578 0 50 IFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCc1cc(F)ccc1Br 222047800 UIDAWKUKBGOQFM-DZKIICNBSA-N 430.343 2.930 0 50 IFAA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(CC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2)cc1 251264403 HXRQYVSXVJSWCD-KPUUQYQLSA-N 447.645 2.926 0 50 IFAA Nc1ccc(-c2cn(-c3cccnc3C(=O)N3CCCC[C@H]3c3nncs3)nn2)nc1 1875357915 BPMGZINSXZWHMF-KRWDZBQOSA-N 433.501 2.525 0 50 IFAA C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCOC2(CCS(=O)(=NC(=O)[C@H]3CCOC(C)(C)C3)CC2)C1 2332238223 HEIKMMFRPDSIPI-VUJJWUKUSA-N 440.606 2.670 0 50 IFAA Cc1nonc1CC(=O)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 12091894 VLUIFKCFVHUKSP-QHCPKHFHSA-N 438.572 2.808 0 50 IFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1CCCN(c3ccccn3)C1)CC2 14533223 RYUACSZCJFGHQW-SFHVURJKSA-N 437.544 2.666 0 50 IFAA O=C(c1nc2sccn2c1CN1CCCN(c2ncccn2)CC1)N1CCCCC1 19636818 JRNZRVUSTWLGEO-UHFFFAOYSA-N 425.562 2.524 0 50 IFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 59749703 PVISZHZVDDRCHI-UHFFFAOYSA-N 438.594 2.829 0 50 IFAA COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(F)cc5)c(CO)c4c3=O)n2)cc1 263616533 JHCCYAKGWLMBRZ-UHFFFAOYSA-N 447.426 2.901 0 50 IFAA COc1ccc(N2C[C@H](C(=O)N(C)C[C@H]3CCCN4CCCC[C@@H]34)CC2=O)c(OC)c1 299754371 DWVWVAORASEINR-GGPKGHCWSA-N 429.561 2.780 0 50 IFAA biogenic Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 734801569 PRGFISFBMFYWQY-OFVILXPXSA-N 443.507 2.899 0 50 IFAA C[C@H]1Oc2ccc(C(=O)CS[C@H](C)C(=O)c3ccc4c(c3)NC(=O)CO4)cc2NC1=O 1857798940 GYRADBSDTXACCE-VXGBXAGGSA-N 440.477 2.924 0 50 IFAA COc1ccc(/C=C/C(=O)NC2CC(NC(=O)/C=C/c3ccc(OC)c(O)c3)C2)cc1O 2325741460 QFCWEUCMVVHZKJ-NXZHAISVSA-N 438.480 2.605 0 50 IFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(I)ccc1OC 1074603 FNQKGFOASXCXPA-ZDUSSCGKSA-N 432.283 2.656 0 50 IFAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 13844472 XBRVTXXFOYONKV-PEJPJJPESA-N 430.482 2.525 0 50 IFAA O=C1Nc2c(-c3ccccc3)cnn2C[C@@H]1CC(=O)N1CCN(c2ccccc2F)CC1 16648482 OCMOVWWTLGBNTC-SFHVURJKSA-N 433.487 2.996 0 50 IFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 169772663 SKDUEZUTJOXQBI-CQSZACIVSA-N 436.449 2.618 0 50 IFAA COc1cccc([C@H](O)CN(Cc2ccccc2)S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 222139767 UXBCDFOHCFWTSB-KGVIQGDOSA-N 434.558 2.585 0 50 IFAA C[C@H](NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)c1ccc([S@@](C)=O)cc1 229977338 JISNVGFEPRTYPA-DPJYYCOSSA-N 434.558 2.583 0 50 IFAA FC(F)(F)[C@@]1(c2nc(-c3cccnc3)no2)CCN(Cc2nc3c(s2)CNCC3)C1 952894810 TZGHNUHXSAQZHD-SFHVURJKSA-N 436.463 2.940 0 50 IFAA NC(=O)N[C@H](CC(=O)N1CC[C@H](OCc2cccnc2)C1)c1ccc(Br)cc1 1875261747 FWHXVUOGGXDEKN-ZWKOTPCHSA-N 447.333 2.761 0 50 IFAA C[C@H]1c2ccccc2C[C@@H](C)N1C(=O)Nc1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325901698 UNWMLKFGCRKYNB-LRAJWGHMSA-N 446.507 2.987 0 50 IFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1 657523 GDZBADRLYUUFBB-UHFFFAOYSA-N 426.454 2.875 0 50 IFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(OC)c(OC)c3OC)C2)nn1 11909241 BQLFLXODTFIQLF-QGZVFWFLSA-N 431.537 2.623 0 50 IFAA Cc1c(C(=O)N2CCC(O)CC2)sc2ncnc(NC[C@@H]3COc4ccccc4O3)c12 12132159 AAYUDXZRFMGLRE-OAHLLOKOSA-N 440.525 2.849 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 13765337 QTRQDJNDEKAHHF-VOMPUTFMSA-N 438.480 2.556 0 50 IFAA COc1cc(C)c(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NC2CCCCCC2)cc1C 14999442 AECMGUFZVVMTGR-RTWAWAEBSA-N 426.565 2.953 0 50 IFAA COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 15941691 RXGPTHVTKKCYJI-UHFFFAOYSA-N 438.889 2.790 0 50 IFAA COc1ccc(CN2CCN(Cc3cnc(N4CCCC4)s3)C[C@@H]2CCO)c(F)c1 20541126 RIKMDOISFCLXKS-SFHVURJKSA-N 434.581 2.960 0 50 IFAA O=C(CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1COC2=O)Nc1ccc2c(c1)OCO2 169758977 UOHUFSSVKJELAF-LJQANCHMSA-N 441.827 2.585 0 50 IFAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)cc2)c1C 239203516 SNRYLPODDSFWEC-MGBSGCIJSA-N 433.486 2.778 0 50 IFAA COCc1n[nH]c(NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)n1 253413205 UDBVDRXWQZODHV-HNNXBMFYSA-N 428.493 2.517 0 50 IFAA C[C@H](NC(=O)C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1)[C@H](C)N1CCOCC1 253420118 FWAPOQRISJRFJB-FTRWYGJKSA-N 444.403 2.982 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nc3ccc(F)cc3[nH]2)C1 1857703556 MUBDYBIGIUKSBJ-YIGJPRQDSA-N 443.567 2.531 0 50 IFAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC[C@@H](N(C)C)C3)c2)C1 1875254423 RUAGMTMEFKYROU-OWCLPIDISA-N 427.998 2.783 0 50 IFAA Cc1cc2[nH]cc(C(=O)N3CCC[C@]4(CCc5cnc(-c6ccccc6)nc54)C3)c(=O)n2n1 2356154174 LBROWCAGNQDWFJ-VWLOTQADSA-N 440.507 2.908 0 50 IFAA CCOC(=O)c1ccc(NC(=S)NC(=O)c2nn(CC)cc2Br)cc1 1002757 PVEJQQFPPGWFLD-UHFFFAOYSA-N 425.308 2.969 0 50 IFAA aggregator NS(=O)(=O)c1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1 2932355 VWNWFHVWJHKHDW-QGOAFFKASA-N 427.507 2.805 0 50 IFAA COC(=O)C1CCN(c2nc(CN3CCSCC3)nc3cc(OC)c(OC)cc23)CC1 11782753 NMNDDDORHXSTSI-UHFFFAOYSA-N 446.573 2.585 0 50 IFAA O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N1CCN(c2ccccc2)CC1 11819185 ZXSDFJDELMLQFA-UHFFFAOYSA-N 435.572 2.880 0 50 IFAA COc1cc(C[C@@H](C)N2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)ccc1O 12021654 SICYUEMDINYMCO-QGZVFWFLSA-N 427.549 2.887 0 50 IFAA Cc1ccc(C(=O)N2CCC(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)c(C)c1 15063297 APUXZEDZIWZNMI-JOCHJYFZSA-N 427.589 2.915 0 50 IFAA CCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@H](C(F)(F)F)C[C@H]2C)n(C)n1 20606134 ZLAIFHKHIZJRST-DOMZBBRYSA-N 426.443 2.949 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc[nH]3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 20608441 YEMKKUBLSPKNQU-QIPHDZALSA-N 427.913 2.780 0 50 IFAA O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38530832 HYZPNNYHQLSAFT-UHFFFAOYSA-N 441.479 2.607 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C 55035790 AEBCYTQXPLQNOH-DLBGWLJESA-N 425.573 2.779 0 50 IFAA COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3N3CCCN23)cc1 138562136 PZSBHXCUDDXJAN-IPMKNSEASA-N 442.313 2.993 0 50 IFAA COc1cc(C(=O)NCc2noc(-c3ccccc3C)n2)cc(Cl)c1OCC(N)=O 170678927 NYTMMKLOOLUWMS-UHFFFAOYSA-N 430.848 2.501 0 50 IFAA CCOC(=O)c1cc2cc(S(=O)(=O)Nc3nc(C(=O)OC)ns3)ccc2s1 225398017 BIQBPVWMSIIKFG-UHFFFAOYSA-N 427.485 2.517 0 50 IFAA O=C1N[C@@H]2CCCC[C@H]2N[C@H]1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 239287512 CXEOPBGOOGVGNI-SMIHKQSGSA-N 446.595 2.710 0 50 IFAA O=C(O)CSCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 485822697 XVSDMJXHJZZYPO-IBGZPJMESA-N 443.500 2.582 0 50 IFAA O=C(CCCn1nnc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 888087835 RDLVOEUEQQBGGJ-WRVHCEFRSA-N 447.583 2.993 0 50 IFAA COc1cc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)ccc1-n1nc(C)cc1C 951723467 OQDVXWPHIMPTQM-IBGZPJMESA-N 447.495 2.967 0 50 IFAA Cc1cc(C)n2nc(CC(=O)O[C@H](C(=O)N3CCSc4ccccc43)C(C)C)nc2n1 1875255010 SKJUWPZFVUYTHU-FQEVSTJZSA-N 439.541 2.990 0 50 IFAA CCOC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H]1C(=O)Nc1nc2ccccc2s1 2325850179 OJHPLVAGLCTWNN-KBPBESRZSA-N 434.543 2.757 0 50 IFAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[S@@](=O)(=NC(=O)C2(C)CC(F)(F)C2)CC1 2332239039 UPCWGKLGHWXTFK-FZPQWHJUSA-N 444.548 2.803 0 50 IFAA CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O 682119 ZDMRRPMWCXDNJE-UHFFFAOYSA-N 427.482 2.858 0 50 IFAA O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1234535 RWTYJGWKNKHROG-UHFFFAOYSA-N 425.304 2.722 0 50 IFAA CS(=O)(=O)N1CCC(C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Cl)CC1 2805084 FFZAISUVSDACTH-UHFFFAOYSA-N 431.345 2.848 0 50 IFAA COc1cccc(NC(=O)COc2ccc(C(=S)N3CCN(C)CC3)cc2OC)c1 9233244 PQEMUNANUDMICN-UHFFFAOYSA-N 429.542 2.644 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccc(Cl)cc2)c(C)c1C 12075881 CHXBUSUQSGLMMC-FQEVSTJZSA-N 429.948 2.972 0 50 IFAA O=C(c1ccc(N2CCC(NCc3ccc4c(c3)OCO4)CC2)cc1)N1CCC[C@H](O)C1 12244991 AFYKKDZGUYPEFE-QFIPXVFZSA-N 437.540 2.771 0 50 IFAA CC1=C(C(=O)N2CCC(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)OCCO1 12707651 FRUFXPVAZYVYKU-QFIPXVFZSA-N 441.572 2.674 0 50 IFAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(I)ccc1OCC 16447702 TWGFEPGHBCPNEU-AWEZNQCLSA-N 430.242 2.881 0 50 IFAA N=C(NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1 32225246 YWMQITGDXCEQSI-SFHVURJKSA-N 442.472 2.597 0 50 IFAA in-vitro COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3cnc4cc(OC)ccc4c3)C2=O)cc1 206230440 WUOWKAKGGKFAOE-OAQYLSRUSA-N 448.479 2.744 0 50 IFAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1529191334 WWMPDKXEDHFRKZ-XMSQKQJNSA-N 430.512 2.596 0 50 IFAA Cc1ccc(S(=O)(=O)CC(=O)N2CCN(c3nc4c(F)cccc4s3)CC2)cc1 8601744 GYMCYQJLTUWAPM-UHFFFAOYSA-N 433.530 2.866 0 50 IFAA COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccc(OC)c4)n3CC2)cc1 11783115 NGQLCRRGUVOYHY-QGZVFWFLSA-N 435.528 2.845 0 50 IFAA Cc1n[nH]c(C)c1CCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 12386217 FSRCIPLTTQRCQC-QHCPKHFHSA-N 433.556 2.571 0 50 IFAA CN1C(=O)[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3)CCN2C(=O)[C@@H]1Cc1ccccc1 14748776 ZDHOIUPUGWJZQV-RBUKOAKNSA-N 446.334 2.730 0 50 IFAA COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 22783913 QEGZFZNFRSYZFF-FQEVSTJZSA-N 441.915 2.576 0 50 IFAA COC(=O)c1cccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1 55042292 OEZORHIDWPQFMX-NRFANRHFSA-N 437.540 2.909 0 50 IFAA CCOc1ccccc1N(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O 67613115 VDRIBJCRYSNMMQ-UHFFFAOYSA-N 445.585 2.876 0 50 IFAA Cc1ccc(CN2C[C@H](C(=O)N3CCCN(C(=O)c4ccsc4)CC3)CC2=O)cc1 490700942 QCHIAAOKHURCPD-HXUWFJFHSA-N 425.554 2.780 0 50 IFAA Cc1c(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cccc1S(=O)(=O)N(C)C 2325820056 YRDGFXHWFMQOAY-FUHWJXTLSA-N 429.542 2.794 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)Cc2ccccc2)cc1 780602 FIZCRMMTAPIQMP-UHFFFAOYSA-N 425.510 2.598 0 50 IFAA O=c1/c(=C/c2ccc(I)cc2)sc2nc(-c3ccccc3)nn12 1130401 WVVCYWDLGMYILW-UVTDQMKNSA-N 431.258 2.970 0 50 IFAA O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)NCc1ccccc1)c1ccccc1 1782752 OCAWQFIVEVCIOW-SFTDATJTSA-N 447.443 2.839 0 50 IFAA C[C@@H]1C[C@@H](CC(=O)NCCN2Cc3ccccc3O[C@@H](c3ccccc3)C2)NC(=S)N1 14995974 ASCAZSQXAAXJBI-PIPMEXSNSA-N 438.597 2.754 0 50 IFAA CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@@H](c2cccc(F)c2)C1 170618435 BUKGGYKFJXZFBF-GOSISDBHSA-N 433.461 2.740 0 50 IFAA Cc1ccc([C@H](NC(=O)CN2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)c2cccs2)cc1 252533185 GEWAGGQZAPNZEM-JPLUHHLPSA-N 442.610 2.801 0 50 IFAA C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 252539452 NZXOREWKYIFEQI-HTDNTCHWSA-N 440.632 2.879 0 50 IFAA COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888088768 QOKAYOKRMUJHRN-OAHLLOKOSA-N 431.876 2.882 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)N[C@@H]1CCc2nc[nH]c2C1 1875288233 SZAUCYDVKNRBEG-HUUCEWRRSA-N 443.515 2.558 0 50 IFAA O=C(NCc1cccc(C(=O)N2CCCC2)c1)C(=O)Nc1ccc(Oc2cnccn2)cc1 2325731838 TUSQMGGSLWQBCD-UHFFFAOYSA-N 445.479 2.760 0 50 IFAA Cc1nnc(SCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)n1N 1906741 VJZYCQYMZRYLME-UHFFFAOYSA-N 439.364 2.841 0 50 IFAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nn2)n1 11697297 MCTJJESZQUFFPU-UHFFFAOYSA-N 428.493 2.574 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCCc1ccc(F)cc1)C2 14745390 OEVLKBBMZZJCHU-FQEVSTJZSA-N 428.552 2.840 0 50 IFAA CCCN1CCN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(CC)C2=O)CC1 19745508 FFMKRDUDFFCVFW-NRFANRHFSA-N 439.478 2.666 0 50 IFAA C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)O[C@@H](C)C(=O)N1[C@@H](C)CCC[C@H]1C 248323070 XMMLNGJTNAUWCH-XGUBFFRZSA-N 430.954 2.728 0 50 IFAA Cc1noc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1 408521182 KWRIPHRXTFQSBZ-UHFFFAOYSA-N 429.502 2.835 0 50 IFAA CCn1cc(Cl)c(=NC(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)[nH]1 1857530893 OQTJKLAGJQSGBC-CYBMUJFWSA-N 431.802 2.804 0 50 IFAA O=C(c1ccc(O)nc1)N1CC[C@H]([C@@H]2CCCCN2C(=O)c2coc(-c3cccnc3)n2)C1 1875359329 APUPDXCXSDRMLK-ICSRJNTNSA-N 447.495 2.994 0 50 IFAA CCc1ccccc1NC(=O)CN1CCN(Cc2cnc3sc(C(=O)OC)cn23)CC1 2325853151 FQWIRHLFVDZQNK-UHFFFAOYSA-N 441.557 2.501 0 50 IFAA C[C@@H]1Cc2c(N)cccc2N1Cc1ccoc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 2325899377 AAOKKMZLXHAZEW-CYBMUJFWSA-N 426.498 2.713 0 50 IFAA CCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 2734769 PQXVNWWRSBZJBK-UHFFFAOYSA-N 431.514 2.698 0 50 IFAA COc1ccc(S(=O)(=O)N(c2cccc(C)n2)S(=O)(=O)c2ccc(OC)cc2)cc1 4047394 OXHNYZLPSGGPTP-UHFFFAOYSA-N 448.522 2.991 0 50 IFAA CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 8602720 ZOXRVKDWEYGIIS-INIZCTEOSA-N 448.545 2.551 0 50 IFAA CCN1CCN(C(=O)c2cc(NC(=O)COC)cc3ncn(CCc4ccccc4)c23)CC1 11789079 XQSQZJUWKIHWCJ-UHFFFAOYSA-N 449.555 2.642 0 50 IFAA Cc1ccccc1[C@]1(CC(=O)N(C)C2CCN(C)CC2)CC(=O)N(Cc2cccnc2)C1=O 11790973 ZTDLIIASWWVGRF-SANMLTNESA-N 448.567 2.530 0 50 IFAA COc1cc(CNCc2csc(C(C)C)n2)ccc1OC[C@H](O)CN1CCC(O)CC1 11840439 DTAQBCWFHQZFJZ-HXUWFJFHSA-N 449.617 2.761 0 50 IFAA O=C(CCn1cncn1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 12029569 BLHYRVIJYHXIJD-NRFANRHFSA-N 429.540 2.727 0 50 IFAA COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)CCNC(C)=O)C3)cc1 12034840 KPZUAMPPXOOAES-SFHVURJKSA-N 430.888 2.740 0 50 IFAA CN(Cc1cc(-c2ccccc2)[nH]n1)C(=O)c1cn(C[C@@H]2COc3ccccc3O2)nn1 12305518 JUVHHPDCRVLVKG-GOSISDBHSA-N 430.468 2.780 0 50 IFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)C[C@@H](O)c2ccccc2)c1 12372765 IFJLVYCSDJMJGL-JOCHJYFZSA-N 426.513 2.891 0 50 IFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)CCc3cnccn3)C2)c(OC)c1 12430392 ALXIHBMICSLFQT-SFHVURJKSA-N 440.544 2.762 0 50 IFAA O=c1[nH]c(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)nc2ccccc12 13945004 YWCJJGVPUCAAJL-UHFFFAOYSA-N 434.525 2.628 0 50 IFAA COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)O 16361810 FFMNAOPHTPQKJW-IBGZPJMESA-N 427.482 2.590 0 50 IFAA O=C1NCCN(C2Cc3ccccc3C2)[C@@H]1CC(=O)N1CCC(Cc2ccccc2F)CC1 19110550 RGGSYNKIVAUHPR-RUZDIDTESA-N 449.570 2.965 0 50 IFAA CC(C)COC(=O)c1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 245380625 CZLBSBFGRXLMHU-OVMLJTRSSA-N 436.508 2.881 0 50 IFAA CN(CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 247959638 DWYLVRIABMZPDY-WMZOPIPTSA-N 441.509 2.822 0 50 IFAA COc1cccc([C@@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C)S(=O)(=O)N2)c1 248330450 FVEOZUYOASIHGX-TXXUCJGISA-N 435.590 2.702 0 50 IFAA O=C(Nc1ccc([S@](=O)C(F)(F)F)cc1)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 763833677 PXDDKCSZSNDNNL-OFJJUDJNSA-N 430.408 2.700 0 50 IFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)NC2CCN(C[C@H]3CCCO3)CC2)s1 1506423363 WIBCUVSLLLSPMT-MRXNPFEDSA-N 425.576 2.942 0 50 IFAA O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857723148 XDDZDAQZKJRSKV-VQTJNVASSA-N 434.540 2.629 0 50 IFAA O=C(NC[C@H]1CCCCN1)c1sccc1S(=O)(=O)N1CCc2ccc(F)cc2C1 1875305199 MFNDCWQNVGDPPG-QGZVFWFLSA-N 437.562 2.506 0 50 IFAA O=C(Cc1cncc(O)c1)N1CCC[C@@H]([C@H]2CCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1875361538 UZFRCOMJHJAGKL-UXHICEINSA-N 447.539 2.949 0 50 IFAA C[C@@H]1Cc2cc(-c3ccc(CNC(=O)c4ccc5c(O)nc(=O)n(C)c5n4)cc3)ccc2O1 2325706643 BWXLRRDHKBCIIQ-CQSZACIVSA-N 442.475 2.955 0 50 IFAA Cn1c(=O)c2c(nc(OCC(F)(F)F)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O 9974945 AFQTZYNCOCCKJP-UHFFFAOYSA-N 437.205 2.730 0 50 IFAA Cc1cc(CN(C)C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3ccncc3)C2=O)n[nH]1 11911930 IAJUJKNWIMQAQR-RUZDIDTESA-N 445.523 2.667 0 50 IFAA CSc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)N1CCCC1 16650018 SFUORIYFPZCZGW-UHFFFAOYSA-N 434.539 2.852 0 50 IFAA C[C@H]1CCc2c(sc(NC(=O)CN3CCN(c4ccccc4F)CC3)c2C(N)=O)C1 17097049 DPOQLFRWIPDREJ-AWEZNQCLSA-N 430.549 2.872 0 50 IFAA O=C(CC[C@H]1CCCN(C(=O)Cc2ccccn2)C1)N1CCN(Cc2ccccc2)CC1 19642464 CTBDZNXSPUKFPC-HSZRJFAPSA-N 434.584 2.987 0 50 IFAA Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 67614225 CCKVWARVTICCEJ-UHFFFAOYSA-N 428.493 2.574 0 50 IFAA CC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 100560752 WAJJSGVFZAAYKC-MRXNPFEDSA-N 445.269 2.858 0 50 IFAA CCN(CC)[C@H](CNC(=O)CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccco1 229735396 WHNLKQQFOAPZBF-WOJBJXKFSA-N 442.608 2.976 0 50 IFAA COc1cccc([C@@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C)S(=O)(=O)N2)c1 248330449 FVEOZUYOASIHGX-ONZODILHSA-N 435.590 2.702 0 50 IFAA Cc1c(C)[n+]([O-])c([C@@H](c2ccc(Br)cc2)C2C(=O)OC(C)(C)OC2=O)n1C 263587201 DHXJZRXJRHVJHY-AWEZNQCLSA-N 437.290 2.622 0 50 IFAA Cc1ncccc1C(=O)NC1(c2cn([C@H](Cc3ccc(Cl)cc3)C(=O)O)nn2)CC1 1875355212 CXMDULZRBCVVHX-QGZVFWFLSA-N 425.876 2.922 0 50 IFAA Cc1nc2nc[nH]n2c(=O)c1CCC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 2325709337 SCSAZQWYLMAWEG-UHFFFAOYSA-N 445.483 2.619 0 50 IFAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)c1C 913125 LFIIBTIWSFRCBR-GOSISDBHSA-N 429.454 2.871 0 50 IFAA COc1ccc(Cl)cc1S(=O)(=O)N(C)C[C@@H](O)Cn1cc(C=O)c2ccccc21 2882148 VKOMXZQIUFIZIG-MRXNPFEDSA-N 436.917 2.797 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@H]1c1cccs1 8575303 PIDTVBMVDNBPOI-FYXHJSOBSA-N 426.519 2.565 0 50 IFAA COc1cc(OC)cc(C(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1 11697189 ARCZXHMIPGAMHZ-UHFFFAOYSA-N 434.500 2.903 0 50 IFAA COc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC 13841205 DHYHUAPETYXUMX-UHFFFAOYSA-N 439.534 2.546 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cc(F)ccc1F)C2 14740532 GMNJWSUANSTHJD-SFHVURJKSA-N 432.515 2.937 0 50 IFAA O=S(=O)(CCN1CC[C@H](Nc2ccccc2)C1)CCN1CC[C@H](Nc2ccccc2)C1 110991785 GRPVNXRDCZTFJI-ZEQRLZLVSA-N 442.629 2.774 0 50 IFAA CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)[C@H]3CCCN(C(=O)c4ccncc4)C3)ccc21 225664747 VQUWWBWABJUYEL-KKSFZXQISA-N 449.507 2.657 0 50 IFAA Cc1cc(N2CCN(C(=O)C[C@H]3NC(=O)c4ccccc4N=C3O)CC2)nc2ccccc12 252532835 FHNUZSVBVLPZSN-OAQYLSRUSA-N 443.507 2.982 0 50 IFAA CC(=O)Nc1cccc(N2C(=O)N[C@H](CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 409414644 NRNVCJJIGAFVPN-OAQYLSRUSA-N 447.495 2.690 0 50 IFAA CCOC(=O)c1sc(NC(=O)c2cc(F)ccc2NC(=O)N2CCN(C)CC2)nc1C 886024603 NJQQPZQUAYLSTK-UHFFFAOYSA-N 449.508 2.799 0 50 IFAA COC(=O)CCCC(=O)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857703754 RAZACOVSRPGFOX-FQEVSTJZSA-N 430.545 2.955 0 50 IFAA COC(=O)[C@]1(NC(=O)[C@H](N)Cc2c(F)cccc2Cl)CCCN(Cc2ccccc2)C1 1875383237 MBEPFNPIVKUMJQ-OFNKIYASSA-N 447.938 2.673 0 50 IFAA CCO[C@@H](C)C(=O)N1CCC[S@](=O)(=NC(=O)c2csc(-c3ccc(C)o3)n2)CC1 2332238805 MFBHNTLRHNJEPX-MLNJSSBLSA-N 439.559 2.977 0 50 IFAA COc1ccc2c(c1)CCOC21CCN(C(=O)[C@@H]2CC(=O)N(c3nccs3)C2)CC1 2356163609 KPWMPNQRZUHNCV-MRXNPFEDSA-N 427.526 2.595 0 50 IFAA COC(=O)c1c(NC(=S)NCCn2cc(Br)cn2)sc2c1CCC2 2853308 VTRNUIMMCWYCEA-UHFFFAOYSA-N 429.365 2.969 0 50 IFAA COC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)cc1 2881779 QZAJUPNSHJMIKD-KRWDZBQOSA-N 446.525 2.830 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1cccs1 4461309 ZCDRLYKQKVPDRA-QIPHDZALSA-N 426.519 2.565 0 50 IFAA COCCN1CCN(C(=O)CN2Cc3cc(C)ccc3O[C@@H](c3ccsc3)C2)CC1 11787715 FBUGXEWMDMWCAJ-JOCHJYFZSA-N 429.586 2.783 0 50 IFAA CC(=O)Nc1ccc(CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cc1 14733341 UUYJRITWWVESAI-UHFFFAOYSA-N 449.555 2.901 0 50 IFAA CSc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1C(=O)N1CCCCC1 16649744 GROBBYAYYCHGSX-UHFFFAOYSA-N 433.555 2.934 0 50 IFAA COC(=O)c1c(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)sc2c1CCCC2 19878622 CBDKWRIEAZFUJT-CYBMUJFWSA-N 446.506 2.931 0 50 IFAA Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COC[C@@H]2COc3ccccc3O2)CC1 20109695 PZNRZTRXERHAJQ-VQTJNVASSA-N 432.948 2.988 0 50 IFAA COc1cccc([C@@H](CNC(=O)[C@](N)(c2cccc(OC)c2)C(F)(F)F)N(C)C)c1 170607847 XQEUTWSQYUMDLX-UYAOXDASSA-N 425.451 2.839 0 50 IFAA CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccc(Br)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 245225873 WLZITUKKHHQEKY-NJURLYQPSA-N 429.263 2.751 0 50 IFAA O=S(=O)(N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 1062662 HCBUFVLQTOCRFR-ROUUACIJSA-N 430.498 2.533 0 50 IFAA O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2 1159768 TZVFNKUWVDFRFK-SBDDDAINSA-N 434.539 2.789 0 50 IFAA Cc1nc(N2CCC(N[C@H]3CCOC(C)(C)C3)CC2)nc2cc(S(C)(=O)=O)ccc12 11840096 ZODVLKARVZDUST-KRWDZBQOSA-N 432.590 2.858 0 50 IFAA O=C(NCCc1cccc(F)c1)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O 14996035 UERUQDJCJZGPBW-UHFFFAOYSA-N 433.483 2.900 0 50 IFAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCc2ccccn2)C[C@@H](C)O1 19758338 OJXOGIGVVYSCFS-IYBDPMFKSA-N 427.936 2.964 0 50 IFAA CCc1nc(C)c(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]1 19939280 JQJXRHPQSNITLB-HXUWFJFHSA-N 425.577 2.791 0 50 IFAA COc1cccc(NC(=O)CN2C(=O)N[C@@H](c3ccccc3Cl)C3=C2COC3=O)c1 169758010 MJSPBZSSUGDCGY-IBGZPJMESA-N 427.844 2.865 0 50 IFAA O=C(CC1CCCC1)N1CCN(Cc2nnn3c2CO[C@@H](c2cccc(F)c2)C3)CC1 263616282 HWXWGKQSECHYEY-JOCHJYFZSA-N 427.524 2.913 0 50 IFAA Cc1ccc(F)cc1C(=O)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857717170 XOSDPSSJQDTCDZ-UHFFFAOYSA-N 426.492 2.587 0 50 IFAA CNC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)COc3ccccc3Cl)C2)c1 1875390230 SOJXKLIDUZIFJA-INIZCTEOSA-N 429.904 2.956 0 50 IFAA O=C1CC[C@H](N2Cc3c(C(=O)NCc4cccc5ccccc45)cccc3C2=O)C(=O)N1 2325886624 CTQQLOZACRILKI-NRFANRHFSA-N 427.460 2.531 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3nc4ccccc4[nH]c3=O)CC1)OCC2 2356161468 WUYPBTIAOANKQG-UHFFFAOYSA-N 435.480 2.645 0 50 IFAA CC(=O)Nc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)s1 812311 DXJKXXJWJBRAHQ-UHFFFAOYSA-N 427.939 2.717 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 1156408 XBHXSZDRDOUEAT-UHFFFAOYSA-N 427.570 2.745 0 50 IFAA COC(=O)CNC(=O)c1cc(NC(=O)CC2CCCC2)cc2nc([C@H]3CCCO3)n(C)c12 11789457 ICPBRHDQLPAXRG-GOSISDBHSA-N 442.516 2.846 0 50 IFAA CCOC(=O)[C@H]1CCCCN1Cc1nc(N2CCCN(C(C)=O)CC2)c2ccccc2n1 11995516 USEGKRWVIKFDDN-OAQYLSRUSA-N 439.560 2.606 0 50 IFAA CCNC(=S)N(CCc1ccc(OC)cc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 15658841 LKKPRMYPXSHADL-FQEVSTJZSA-N 441.553 2.775 0 50 IFAA O=C(CCc1ccncc1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20998180 SLNTUKQJIPQHSZ-JOCHJYFZSA-N 436.556 2.552 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccnc1)NCC(c1ccccc1)c1ccccc1 55100187 CXGCLKYYCZDQBL-XMMPIXPASA-N 428.536 2.720 0 50 IFAA O=C(C[S@](=O)Cc1ccco1)NC/C=C\COc1ncccc1CN1CCCCC1 72482077 ZPCZPXJIAUUKEH-FCRIZLRQSA-N 431.558 2.661 0 50 IFAA in-vitro Oc1nc(NCCCCN2CCN(c3ccccc3)CC2)nc2c1cnn2-c1ccccc1 462368431 IOIYUCBNABYHTJ-UHFFFAOYSA-N 443.555 3.535 0 50 IFAA COc1cc2c(cc1OC)[C@@H](c1cccnc1)N(CC(=O)N1C[C@H](C)O[C@H](C)C1)CC2 1506403899 WRCXPTXMLFYLEQ-XVTZWQNCSA-N 425.529 2.682 0 50 IFAA O=C([C@H]1CCc2ncnn2C1)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1857719922 YMEOADDRHPWNIM-KRWDZBQOSA-N 430.512 2.510 0 50 IFAA COc1nc2c(cc1Cn1ccnc1-c1ccncc1)C(=O)N(CCc1ccccn1)C2 1857739297 HTXLXKZPCATHNP-UHFFFAOYSA-N 426.480 2.991 0 50 IFAA O=S(=O)(c1ccc(N2CCOCC3(CCCC3)C2)nc1)N1CCOC[C@H]1CC(F)F 1875342767 GJWLGCBBZNSPTA-MRXNPFEDSA-N 445.532 2.523 0 50 IFAA N=c1nc(COC(=O)c2ccnc3[nH]c(CC4CC4)nc23)nc(Nc2ccc(F)cc2)[nH]1 1875358989 PQIUQYDKJPRXIK-UHFFFAOYSA-N 434.435 2.748 0 50 IFAA COc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1 9933435 VTZIHSGPHHTPKK-UHFFFAOYSA-N 434.492 2.977 0 50 IFAA O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 11820346 WORYKARJQBKPCQ-OAQYLSRUSA-N 449.599 2.922 0 50 IFAA CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccc(Cn2cnnn2)cc1 12439632 ZNHWEYPVNUKNFX-HXUWFJFHSA-N 436.535 2.887 0 50 IFAA O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ccccc2)CC1 16425333 USKASCTYUNOGQB-UHFFFAOYSA-N 443.569 2.589 0 50 IFAA CSc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1 19883258 QTOOBIMWFVDYDJ-HEHNFIMWSA-N 425.554 2.628 0 50 IFAA CCc1c(C(=O)NC[C@@H]2COc3ccccc3O2)c(=O)cc(C)n1CCN1CCCCC1 20271893 GQZDMGUNBJXLSW-LJQANCHMSA-N 439.556 2.775 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3cccc(F)c3F)cc2OC)CC1 20351931 XSESQTWRMSFIDW-HXUWFJFHSA-N 449.542 2.640 0 50 IFAA CC(C)c1ccc(CN2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)cc1 20993623 MPPXIVGXXKPTKQ-UHFFFAOYSA-N 425.577 2.545 0 50 IFAA O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 32097466 TVCXBDMLTUEIAL-AWEZNQCLSA-N 436.413 2.858 0 50 IFAA COc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1Cl 72139261 IGLTYBVYPQQHSP-UHFFFAOYSA-N 427.896 2.987 0 50 IFAA O=C(COC(=O)C1CCC(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1)c1ccc(F)cc1 101257468 RGEOKAQTMSWIIU-ROMQECONSA-N 425.456 2.918 0 50 IFAA CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(C(N)=O)CC2)CC1 212511101 NFLMBAJPCIVHSK-KITAHSCOSA-N 427.589 2.900 0 50 IFAA COc1ccc(S(=O)(=O)N2CC(N[C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]43)C2)cc1 230251632 ZSWVYSLTRKUOJU-CTUHWIOQSA-N 441.597 2.568 0 50 IFAA CCNCCNC(=O)c1c(O)nc2c(Br)cc(Br)cc2c1O 299738276 QKVFHTBIRXIZRU-UHFFFAOYSA-N 433.100 2.510 0 50 IFAA O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NC1Cc3ccccc3C1)C2)c1ccncc1 299779350 NJBHRZCQLBZJQI-INIZCTEOSA-N 432.505 2.819 0 50 IFAA COCCc1nsc(N2CC[C@@](c3nc(-c4ccncc4)no3)(C(F)(F)F)C2)n1 952891612 AWVQPSNSHQJPRL-MRXNPFEDSA-N 426.424 2.882 0 50 IFAA Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCN(c3ccccc3C)CC2)c1 952982505 AOGVGSPGBZYDTO-DEOSSOPVSA-N 434.584 2.733 0 50 IFAA CCOc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)nc1C 1454002778 HHUYEWUJWBQDLE-UHFFFAOYSA-N 449.529 2.647 0 50 IFAA CC(C)C[C@@H]1C[C@H](C(=O)OCCN2c3cccc4cccc(c34)S2(=O)=O)CC(=O)N1 1875259708 YHJCJAXTSNSTMQ-DLBZAZTESA-N 430.526 2.833 0 50 IFAA Cn1cnc2cc(C(=O)NCC[C@@H]3CN(c4ncnc5n[nH]cc45)c4ccccc43)cnc21 1875288370 YMKGORGPHMLNEV-CQSZACIVSA-N 439.483 2.690 0 50 IFAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 2878040 CNNHQAUQCAPKOB-INIZCTEOSA-N 446.525 2.814 0 50 IFAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]12 9426249 MEQUQAJVQWRJRK-YCFYUYSTSA-N 447.443 2.619 0 50 IFAA CCn1c(C)nc2cc(NS(=O)(=O)c3ccccc3)cc(C(=O)N[C@@H]3CCOC3)c21 12098014 XYJDVXSXUUXTJY-OAHLLOKOSA-N 428.514 2.684 0 50 IFAA COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2ccc3ccccc32)c1 12448578 CTWOABKMSYTWRL-HSZRJFAPSA-N 434.540 2.547 0 50 IFAA COc1cccc(CO[C@H]2CN(C(=O)Cc3cccnc3)CC(=O)N(CC(C)C)C2)c1 14534743 FKFQNVPEWKCEBK-JOCHJYFZSA-N 425.529 2.545 0 50 IFAA CCOC(=O)c1nn(CCCc2cccnc2)c2c1CN(C(=O)c1cncs1)CC2 14743803 NZNVQUVAEPLMTR-UHFFFAOYSA-N 425.514 2.743 0 50 IFAA COC(=O)c1c(OCc2ccccn2)cc(=O)n2c1CCN(C/C=C/c1ccco1)CC2 14984825 MJIRGNRDUHTMJV-QPJJXVBHSA-N 435.480 2.773 0 50 IFAA Cc1cc(-c2nnc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)c(C)o1 19228151 ZBNITIUSJSUJLD-UHFFFAOYSA-N 438.484 2.952 0 50 IFAA O=C(COc1ccc(N2CCN(C3CCCCC3)CC2)nn1)NCCc1ccccc1F 20994526 XLHMMOZPBKAZIY-UHFFFAOYSA-N 441.551 2.808 0 50 IFAA Cc1ccsc1CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 64031483 IYTXASQLVLNKHM-MSOLQXFVSA-N 430.965 2.871 0 50 IFAA O=C(C[S@@](=O)Cc1ccco1)NC/C=C\COc1ncccc1CN1CCCCC1 72482076 ZPCZPXJIAUUKEH-FQRQDQBPSA-N 431.558 2.661 0 50 IFAA in-vitro COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cc(OC)cc(OC)c4)ccn3n2)cc1 169775868 ZDFRHPMZGBMNEE-UHFFFAOYSA-N 448.479 2.619 0 50 IFAA COc1cccc2c1ccn2CCNC(=O)CC[C@H]1N=C(O)N(Cc2ccccc2)C1=O 252533017 FSPWBYRICJXERO-LJQANCHMSA-N 434.496 2.871 0 50 IFAA Cc1cccc([C@H](CC(=O)N2CCN(c3ncnc4sc(C)cc34)CC2)NC(N)=O)c1 444393289 PVWWGTUBYOXOPH-SFHVURJKSA-N 438.557 2.756 0 50 IFAA CCCc1ccc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc1 1857673310 NJOXMDKDXPUSMV-HSZRJFAPSA-N 427.589 2.718 0 50 IFAA Cc1ccc(OCC(=O)NS(=O)(=O)c2cnc3ccccc3n2)c2c1[C@@H](C)CC2=O 2325866777 ZPCOKFCGWSNZDR-ZDUSSCGKSA-N 425.466 2.512 0 50 IFAA CN(Cc1ccncn1)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12 11664167 YNDMWDBNZKLCDG-UHFFFAOYSA-N 447.587 2.847 0 50 IFAA COc1cccc(OC[C@H](O)CNC(=O)CCN2Cc3cc(Cl)ccc3O[C@H](C)C2)c1 11786449 CTIALYMXHDXQIM-VQIMIIECSA-N 448.947 2.878 0 50 IFAA COCCN1C(=O)C[C@](CC(=O)NCc2ccc(F)cc2F)(c2ccccc2C)C1=O 11881959 OTXONNCTTYCHIB-HSZRJFAPSA-N 430.451 2.623 0 50 IFAA COc1cccc(OC[C@@H](O)CNC(=O)CCN2Cc3cc(Cl)ccc3O[C@@H](C)C2)c1 42451749 CTIALYMXHDXQIM-LPHOPBHVSA-N 448.947 2.878 0 50 IFAA CCOC(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)C1 301237441 DJCBMHPALGSZEU-MSOLQXFVSA-N 436.574 2.973 0 50 IFAA Cn1ncc2c(N3CCN(C(=O)N[C@H]4CC(C)(C)Oc5cc(F)ccc54)CC3)ncnc21 486466236 JVEAKLZHJYLZSY-KRWDZBQOSA-N 439.495 2.636 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)N2CC(Oc3ccccc3F)C2)C1 1857703863 UBHGBTOJJYUBAX-OHUGHZGNSA-N 445.579 2.628 0 50 IFAA CCCc1ccc(OCCNC(=O)[C@@]23CC[C@@H](N4CCOCC4)C[C@H]2CCNC3)cc1 1857707530 VULBTSXZWRFHKQ-TZBSWOFLSA-N 429.605 2.615 0 50 IFAA CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](CNC(=O)[C@@H]1CCOC1)c1ccc2ccccc2c1 1875358157 LOWDPWDFJWECGS-PARPOCPVSA-N 439.556 2.701 0 50 IFAA O=C(Cc1cncc(O)c1)N1CCC[C@@H]([C@@H]2CCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1875361540 UZFRCOMJHJAGKL-WOJBJXKFSA-N 447.539 2.949 0 50 IFAA Cc1c(C(=O)NC2C[C@@H]3CN(C(=O)c4cn5ccnc5s4)C[C@H]3C2)sc2nccn12 2325875742 AVLKBPOPEGGYTE-CHWSQXEVSA-N 440.554 2.694 0 50 IFAA CCOC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc(Br)s2)c2ccccc21 990093 JHFJNRRLJVDLBD-SFHVURJKSA-N 438.299 2.881 0 50 IFAA O=C(CNCCO)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 3003725 OMMHCCDLWPOHBR-UHFFFAOYSA-N 438.347 2.772 0 50 IFAA O=S(=O)(NC[C@@H]1CCC2(CCN(Cc3ccc4c(c3)OCO4)CC2)O1)c1ccccc1 11839272 VMNSNXIAKMLLPO-IBGZPJMESA-N 444.553 2.907 0 50 IFAA CCOC(=O)CN(C)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O 12212271 CNZSYAYDUGBRJP-AREMUKBSSA-N 448.519 2.924 0 50 IFAA CC(=O)Nc1cc(CN[C@@H](C)Cc2ccc(F)cc2)cc(C(=O)N2CCN(C)CC2)c1 12219046 VREJSRJTGVXURC-KRWDZBQOSA-N 426.536 2.893 0 50 IFAA CSc1nsc(SCC(=O)Oc2ccc(C[C@H](NC(C)=O)C(C)=O)cc2)n1 12364003 JPIXTMLIQJKDAX-AWEZNQCLSA-N 425.557 2.594 0 50 IFAA COCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 13451028 CBOAJSAJZUSIMU-UHFFFAOYSA-N 447.395 2.925 0 50 IFAA O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCN(C(=O)Oc3cccc4ccccc34)C[C@H]12 14741992 WNKHUGMNQDMUBU-LEWJYISDSA-N 429.476 2.593 0 50 IFAA O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)C[C@H]12 14755908 VIUUNYLDUIZYPV-FCHUYYIVSA-N 447.922 2.887 0 50 IFAA COCCS(=O)(=O)c1ncc(CN(C)[C@H](C)c2ccccn2)n1Cc1ccccc1 55099902 SLHFMFFGWOYUKQ-GOSISDBHSA-N 428.558 2.940 0 50 IFAA O=C(CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O)NCCCc1ccccc1 169758050 OGSKVXBPAZCFFV-NRFANRHFSA-N 439.899 2.966 0 50 IFAA Cc1noc(-c2ccn3c(CNC(=O)Cc4ccc(OC(F)(F)F)cc4)nnc3c2)n1 169779352 NOLNHLFQAOSSIP-UHFFFAOYSA-N 432.362 2.845 0 50 IFAA C[C@@](O)(CNc1cc(NC[C@](C)(O)c2ccsc2)n2ncnc2n1)c1ccsc1 170603435 DLOIWHRBXODWAC-MOPGFXCFSA-N 430.559 2.887 0 50 IFAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCCN(C)C)c3C3CC3)n2)c1 299802393 ZDWMJTSXPUUGSA-UHFFFAOYSA-N 436.516 2.515 0 50 IFAA Cc1nc(S(=O)(=O)N(c2ccccc2)C2CCN(C)CC2)c(Br)n1C 328594321 ATTBAWADBBEKSD-UHFFFAOYSA-N 427.368 2.781 0 50 IFAA Cc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c(OC[C@@H]2CCCO2)c1 471116169 LIMIDGCRXQPFGP-AWEZNQCLSA-N 443.518 2.896 0 50 IFAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)C1 494890802 GMBIMDSAUGFGCG-OPZGUEJKSA-N 443.975 2.735 0 50 IFAA COc1ccc(CNC(=O)C(F)(F)C(F)(F)C(=O)NCc2ccc(OC)cc2)cc1 2748093 DSCHRXIEKZSBOS-UHFFFAOYSA-N 428.382 2.907 0 50 IFAA CCS(=O)(=O)N1CCC[C@@H](c2nnc(S)n2-c2cnn(Cc3ccc(C)cc3)c2)C1 2808588 XRHKVESLQPDNTD-QGZVFWFLSA-N 446.602 2.638 0 50 IFAA Cc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)N=C(O)N(CCc3ccccc3)C2=O)cc1 2863480 LMTMJGGMEPSGSO-GOSISDBHSA-N 441.431 2.531 0 50 IFAA O=C1CCC(=O)N1CCOc1ccc(CN(C(=O)c2ccc3c(c2)OCO3)C2CC2)cc1 11966280 GGVGYZMCBHLSHQ-UHFFFAOYSA-N 436.464 2.748 0 50 IFAA COCC(=O)Nc1cc(C(=O)N2CCc3[nH]ncc3C2)cc2nc(-c3ccccc3)n(C)c12 11975709 YLKZGKVKGQGWES-UHFFFAOYSA-N 444.495 2.747 0 50 IFAA COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@@H](CNC(=O)CCNC(C)=O)C3)cc1 12034842 KPZUAMPPXOOAES-GOSISDBHSA-N 430.888 2.740 0 50 IFAA CCn1nc(C)c(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)c1C 12208296 IWQABPQDCWJLBJ-UHFFFAOYSA-N 444.576 2.948 0 50 IFAA CCOC(=O)CN(C)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O 12212268 CNZSYAYDUGBRJP-SANMLTNESA-N 448.519 2.924 0 50 IFAA COC(=O)c1sc(NC(=S)N2CCN(c3ccccn3)CC2)c(C(=O)OC)c1C 16361003 PVADLRDAANLSBN-UHFFFAOYSA-N 434.543 2.544 0 50 IFAA CCOc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1 20998267 AATPZUBBKDYAHJ-UHFFFAOYSA-N 425.577 2.974 0 50 IFAA COc1cc(CNCCc2c(C)n[nH]c2C)ccc1OC[C@H](O)CN1CCCCCC1 23366510 UYZQMAUTVSUSBE-OAQYLSRUSA-N 430.593 2.983 0 50 IFAA CCOC(=O)[C@H](CCc1ccccc1)N(C(=O)C(F)(F)F)[C@@H](CCCCN)C(=O)O 44559717 QKGKAQLXEOARHX-HOTGVXAUSA-N 432.439 2.524 0 50 IFAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)nn2)nc1 72139317 XWPXCWWRYXYZNH-UHFFFAOYSA-N 442.520 2.882 0 50 IFAA COc1ccc(CNC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)c(OC)c1 169759867 ZCIPYXOMJQDILG-JOCHJYFZSA-N 437.452 2.831 0 50 IFAA COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3ncc[nH]3)[C@@H]21 253413316 ULVQQFWVSXICRX-HXUWFJFHSA-N 447.451 2.571 0 50 IFAA biogenic Cc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccccc5)no4)c3C2=O)c(C)c1 263615258 BLJCLCPKCFLEDJ-UHFFFAOYSA-N 443.467 2.706 0 50 IFAA COCCNC(=O)[C@@]1(CC=C(C)C)C[C@H]2CC[C@@H]1N2C(=O)c1cnc2ccnn2c1C 1704340759 TXGRVJBHZVCRGE-FHJLPGHOSA-N 425.533 2.520 0 50 IFAA CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccc3c(c2)OCO3)cc1 1108993 PTRALTGGCGQGDA-QGZVFWFLSA-N 441.509 2.770 0 50 IFAA CCNC(=S)N(CCc1ccc(OC)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 1211486 VIFBAFNXCRRFSW-IBGZPJMESA-N 429.517 2.905 0 50 IFAA CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(F)c(F)cc(F)c3F)C2)c(C)n1 2802671 CFVOXFOGHBTSOU-NSHDSACASA-N 448.442 2.807 0 50 IFAA COC(=O)[C@](NC(=O)c1ccccc1)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F 2863680 KKUGDVNVLMCKQX-HXUWFJFHSA-N 433.386 2.835 0 50 IFAA Cc1cc(C)cc(N([C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c1 2885293 KCWUEQSOFXQRMR-GOSISDBHSA-N 433.549 2.946 0 50 IFAA O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 3001593 UENUTIAERBDEAI-GYZZIOIESA-N 430.460 2.975 0 50 IFAA biogenic CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3ccc(OC)c(OC)c3OC)C2)nn1 11909242 BQLFLXODTFIQLF-KRWDZBQOSA-N 431.537 2.623 0 50 IFAA O=C(NCCCO)c1cn([C@H]2CCCN(CC(c3ccccc3)c3ccccc3)C2)nn1 14887032 GBNYCTDLONEONA-QFIPXVFZSA-N 433.556 2.859 0 50 IFAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC[C@@H]2CN(S(=O)(=O)N(C)C)CC[C@@H]21 15001579 IEIRXLGEODXSCP-NUJGCVRESA-N 443.997 2.535 0 50 IFAA O=C(NCc1ccccn1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613398 YGEGITPYPHTBBC-UHFFFAOYSA-N 425.913 2.732 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCc1c(F)cccc1F 55036020 KCAKVMKQUFUDOA-GOSISDBHSA-N 441.400 2.991 0 50 IFAA CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(OC)cc1OC)CCO2 55052723 SWSISSHEQPNNTE-QFIPXVFZSA-N 439.556 2.809 0 50 IFAA CC1CCN(c2ccc(=O)n(CC(=O)NCCc3c[nH]c4ccc(Cl)cc34)n2)CC1 61720871 GAZAQNHWFRUQNW-UHFFFAOYSA-N 427.936 2.973 0 50 IFAA Cc1cc(CNC(=O)CNC(=O)c2ccccc2I)cc(C)c1O 170637608 WBAAOICFVMAELM-UHFFFAOYSA-N 438.265 2.660 0 50 IFAA CCn1ncc2c(C(=O)NCc3ccccc3S(N)(=O)=O)cc(-c3cccs3)nc21 241644211 PPDZUYXKKXZNKI-UHFFFAOYSA-N 441.538 2.757 0 50 IFAA CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](OCc4ccccn4)C3)ccc21 952974281 JCYFJOQSJJUBKW-HXUWFJFHSA-N 429.542 2.751 0 50 IFAA CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(C(F)(F)F)nn1C 1464127988 YUWFQVAAKPWMKY-GFCCVEGCSA-N 440.488 2.705 0 50 IFAA C=CC(=O)N1CCC(C(=O)N=[S@@]2(=O)CCOc3ccc(Br)cc32)CC1 1875371918 QCLVEXRIRALOTK-RUZDIDTESA-N 427.320 2.620 0 50 IFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CN4CCCCC4=O)C3)C2)c1OC 11839320 UEYOOZDRVFLXHH-XMMPIXPASA-N 429.561 2.531 0 50 IFAA C[C@H](CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1)c1ccccc1 12097947 FREKWMRLBGUJCC-LJQANCHMSA-N 435.547 2.980 0 50 IFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)[C@H](C)NC(C)=O)O3)c1 12218773 SLTYYOOKVYXRNA-YVEFUNNKSA-N 432.904 2.969 0 50 IFAA COC(=O)CCCC(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 12612245 HQJSAHZYNJHPTQ-UHFFFAOYSA-N 442.516 2.798 0 50 IFAA O=C(OCCN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1cccc2ccccc12 19866507 GLZZTZQZJKNIPE-UHFFFAOYSA-N 449.532 2.763 0 50 IFAA CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1 22058804 QQBBSWCTNXVUBY-UHFFFAOYSA-N 440.905 2.756 0 50 IFAA in-vitro O=C(c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2)N1CCN(c2ccccc2)CC1 169759613 QROYDONBAFKXCG-QHCPKHFHSA-N 432.480 2.846 0 50 IFAA COc1cc(C(C)=O)ccc1OCC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 170620819 HLGFKYQJQJMGHX-UHFFFAOYSA-N 428.460 2.837 0 50 IFAA Cn1c(C(F)(F)F)nc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc21 409413984 MHUAFCJFLUDWII-CQSZACIVSA-N 431.374 2.671 0 50 IFAA Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCc4cc(-c5cccc(F)c5)ccc43)[nH]c21 437107250 JZOJCFXPAKZQLA-UHFFFAOYSA-N 433.443 2.690 0 50 IFAA CS(=O)(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 1875390854 VHQAQPCWSJTDFF-NRFANRHFSA-N 436.533 2.622 0 50 IFAA COC(=O)COc1ccc([C@H](C)NC(=O)c2cnc(Br)s2)cc1OC 1875405476 GXUANGIWVXNPGM-VIFPVBQESA-N 429.292 2.957 0 50 IFAA CC(=O)CCS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)CCC(C)=O)cc2)cc1 859522 PRHVLIQUGJDCPL-UHFFFAOYSA-N 436.551 2.783 0 50 IFAA COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)cc1 10034974 PPKSUTQGVBTEAJ-CYBMUJFWSA-N 439.493 2.972 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccc(F)cc2)c(C)c1C 12313884 MLHKBEVQDYNJTR-NRFANRHFSA-N 427.520 2.800 0 50 IFAA Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3ccccc3Cl)c(=O)n(C)c2n1 12445607 PZWIKZQMIMQBOH-UHFFFAOYSA-N 426.904 2.731 0 50 IFAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1ccc3cc[nH]c3c1)CC2 14537279 KBCQONWNWVWLQM-UHFFFAOYSA-N 437.544 2.985 0 50 IFAA CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNCc1csc(C)n1 15000572 FWZGMQOHFWKUBT-UHFFFAOYSA-N 437.525 2.956 0 50 IFAA CC(C)N1CCN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(C3CCCC3)C2=O)CC1 19835834 PPILBUQESKRWQN-DEOSSOPVSA-N 429.536 2.708 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(N3CCN(Cc4ccccc4)CC3)CC2)cc1 19888807 ZBWUZBMGAZTKSW-UHFFFAOYSA-N 429.586 2.666 0 50 IFAA O=C(Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O)Nc1ccc2c(c1)CCC2 169752480 DYABKROFAOKWSJ-UHFFFAOYSA-N 432.455 2.922 0 50 IFAA Cc1ccc(Br)c2c1C(C)(C)CN2S(=O)(=O)c1cc(C(N)=O)n(C)c1 170597922 RDISHVXORJTAQV-UHFFFAOYSA-N 426.336 2.681 0 50 IFAA O=C(NCc1cccc(Cl)c1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253427890 OLNFOEKJUXQRLL-MRXNPFEDSA-N 429.325 2.699 0 50 IFAA C[C@H](CCS(=O)(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 253534390 IFQRFKVUXUJKEV-LLEZRFBJSA-N 444.634 2.862 0 50 IFAA O=C(c1cn(CCO)nc1C1CCOCC1)N1CCOC[C@H]1c1nc2ccccc2s1 856683235 PVHBTRNNQPCZLI-SFHVURJKSA-N 442.541 2.593 0 50 IFAA C[C@H](CNS(=O)(=O)c1ccc(Cl)s1)NS(=O)(=O)c1ccc(Cl)s1 2735472 GYNBNKKPOMXNPB-SSDOTTSWSA-N 435.401 2.762 0 50 IFAA O=C1NCCN(Cc2ccccc2F)[C@H]1CC(=O)N1CCOc2ccc(Cl)cc2C1 11813252 ZPONQFDKKQMRDT-IBGZPJMESA-N 431.895 2.591 0 50 IFAA O=C1CN(C(=O)c2cn(Cc3ccccc3Cl)nn2)CCN1Cc1cccc(F)c1 12021516 IUSZZTHITAGKBG-UHFFFAOYSA-N 427.867 2.604 0 50 IFAA COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O 14740404 ZBMTZROJDZEMDU-UHFFFAOYSA-N 435.524 2.701 0 50 IFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC3CCCCCC3)N(Cc3ccc(F)cc3)C2)nn1 14994768 OFLHEYAEKRBETK-FPOVZHCZSA-N 443.523 2.858 0 50 IFAA NC(=O)[C@@H]1CCCN(C2CCN(c3ccc(CC(=O)NCc4ccccc4)cc3)CC2)C1 14998217 LYPVTAMJEOWVOP-JOCHJYFZSA-N 434.584 2.712 0 50 IFAA Cc1ccccc1[C@]1(CC(=O)N2CCN(C)[C@@H](C)C2)CC(=O)N(Cc2ccccc2)C1=O 20783083 GTSDPCRDEBZWRX-FNZWTVRRSA-N 433.552 2.745 0 50 IFAA C[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H]2CCCC[C@@H]12 229578014 IOGWZIOWWQYFPJ-NZSAHSFTSA-N 436.574 2.944 0 50 IFAA COc1ccc(-c2cc(=NC(=O)c3cccc(Cl)n3)n([C@H]3CCS(=O)(=O)C3)[nH]2)cc1 334158636 YLMWMECVOLGNLH-AWEZNQCLSA-N 446.916 2.641 0 50 IFAA COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 741372791 JTRXTJUKNGQCNT-ROUUACIJSA-N 440.496 2.883 0 50 IFAA Cc1ccnc2c(S(=O)(=O)NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cccc12 2325819888 SZUMDLBTAFOBJK-SJLPKXTDSA-N 437.521 2.958 0 50 IFAA COc1ccccc1-c1ccnc(-n2ncc(C(=O)N(C)C[C@@H]3COCCO3)c2C2CC2)n1 12023324 GAKDELTZZDVEEW-QGZVFWFLSA-N 449.511 2.703 0 50 IFAA COc1cccc([C@]2(CC(=O)N3CCC[C@H](C(C)=O)C3)CC(=O)N(C3CCCC3)C2=O)c1 12036718 QLSIPIGBGHBEMF-BVZFJXPGSA-N 440.540 2.852 0 50 IFAA NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(CC(=O)O)cc2)CC1 257855845 MHXICYJVWPVGLT-ONTIZHBOSA-N 437.540 2.745 0 50 IFAA CS(=O)(=O)Nc1cccc2c1CCN(C(=O)N[C@H]1CCN(c3ccccc3F)C1)C2 494861357 OVBHWSQVZJRHFB-INIZCTEOSA-N 432.521 2.544 0 50 IFAA CCOC(=O)c1ccccc1NC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C 784819119 VIFSNOFBCPBKHF-QAPCUYQASA-N 447.532 2.954 0 50 IFAA Cc1cc(C(=O)N2CCCCNC(=O)C[C@@H]3CCCCN3CCC2)c2c(C)nn(C)c2n1 2100533464 QBJOOVULIUBFNH-IBGZPJMESA-N 440.592 2.572 0 50 IFAA CCN(CC)[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)OC)CC1)c1cccc(C(F)(F)F)c1 2325827724 OOKVCYYWVHSZHD-CRAIPNDOSA-N 429.483 2.794 0 50 IFAA CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCc2ccccc2)[C@@]12C(=O)Nc1ccccc12 714548 TWYBNKKRQHKNIK-DEOSSOPVSA-N 434.448 2.658 0 50 IFAA CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN1CCC(C(N)=O)CC1 11787601 KERQEUBLMLYMKY-UHFFFAOYSA-N 439.541 2.870 0 50 IFAA Cc1ncc2c(c1CNC(=O)Cn1ccnc1)CCN(C(=O)/C(F)=C/c1ccccc1)C2 11839732 RQBGIQDEFIDIBU-JJFYIABZSA-N 433.487 2.798 0 50 IFAA COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3ccccc3N(C)C)C2)cc1 12306866 WMXKGQATPAJUHJ-QGZVFWFLSA-N 431.558 2.592 0 50 IFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)CCN1Cc2ccccc2C1=O 12466190 KJGBGHUTICZXKS-UHFFFAOYSA-N 426.605 2.687 0 50 IFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)c(OC)c1 12745210 PJDQHTIZSRCNNB-QGZVFWFLSA-N 432.517 2.617 0 50 IFAA O=C(NCCCN1CCOCC1)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 12845530 LGNZOCCREPMYEY-MSOLQXFVSA-N 437.466 2.996 0 50 IFAA O=C(COc1ccc(Cl)cc1)N1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1 14951441 VFXYWFXGPTZGIC-UHFFFAOYSA-N 431.924 2.800 0 50 IFAA Cc1nonc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 15064748 VSNYZAUEGXKMAO-JOCHJYFZSA-N 449.511 2.519 0 50 IFAA Cc1ccccc1[C@]1(CC(=O)N2CCN(C(C)C)CC2)CC(=O)N(Cc2cccnc2)C1=O 20995438 HAFQGBNMPHSBNS-SANMLTNESA-N 448.567 2.530 0 50 IFAA CCOc1cccc(CNC(=O)c2ccc(CN3C(=O)NC4(CCOCC4)C3=O)cc2)c1 169773487 TYPWJCYXCCOJMU-UHFFFAOYSA-N 437.496 2.616 0 50 IFAA CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C 170622674 PGBCIZNTWFQTRZ-UHFFFAOYSA-N 425.528 2.646 0 50 IFAA Cc1cc(C(=O)CN2CC[C@@H](N(C)Cc3ccccc3)C2)c(C)n1[C@H]1CCS(=O)(=O)C1 241124354 JHOHVSDHIQXHKH-YADHBBJMSA-N 443.613 2.854 0 50 IFAA COc1ccc(-c2n[nH]cc2CN2CCC3(CC2)C[C@H]3C(=O)N2CCCN(C)CC2)cc1 299785343 XZZZPFVGOVFFOZ-QFIPXVFZSA-N 437.588 2.852 0 50 IFAA CN(Cc1ccc2nsnc2c1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1506412431 DIGDELJIIVNCNS-SFHVURJKSA-N 434.518 2.642 0 50 IFAA CN1C[C@@H]2C[C@H](N(C)C(=O)C3CCN(C(=O)c4cccc(Cl)c4)CC3)C[C@@H]2CC1=O 1529192499 WILJQYDMWQBLFA-WSTZPKSXSA-N 431.964 2.908 0 50 IFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCCc3nc(C4CC4)no3)CCSCC2)o1 1776111651 JNABGKPPSKCSMN-UHFFFAOYSA-N 433.530 2.818 0 50 IFAA O=C1CCc2cc([C@@H](O)CCC(=O)N3CC[C@@](O)(Cc4cccc(F)c4)C3)ccc2N1 1875262118 HAGLUCALBQSLAH-XUZZJYLKSA-N 426.488 2.730 0 50 IFAA O=C(N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1875313897 WSXOQMVHHNVRRY-KNQAVFIVSA-N 446.573 2.783 0 50 IFAA Cc1ccc(CCC(C)(C)NC(=O)CCCn2cc(Cn3ccc(C(=O)O)n3)nn2)cc1 1875355758 PIPDLZFALSZYGP-UHFFFAOYSA-N 438.532 2.837 0 50 IFAA O=C(NC[C@H]1Cc2ccccc2CN1C(=O)c1cncc(O)c1)c1cccc2[nH]ncc12 1875361551 VHRWEUZPMJCIFO-GOSISDBHSA-N 427.464 2.661 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2cnc3ccsc3c2)CC1=O 2325819859 SJHDCGQDOFNLSP-UKRRQHHQSA-N 429.523 2.711 0 50 IFAA O=C(O)[C@H]1CN(CC2=Nc3ccccc3S(=O)(=O)N2)Cc2c1cccc2C(F)(F)F 2325852647 NQTXYJMSPNRGOB-ZDUSSCGKSA-N 439.415 2.711 0 50 IFAA Cn1c(N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)nc2cc(C(F)(F)F)cnc21 2325880114 VFUKKINIRKKBQF-SFHVURJKSA-N 444.461 2.915 0 50 IFAA CC1(COC(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)CC2(CCC2)C1 2325900947 OPNNMWDHEMJQAS-SFHVURJKSA-N 439.512 2.644 0 50 IFAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cccc3cnccc23)cc1 11771809 YTCRUJAFXMKRHY-XMMPIXPASA-N 446.551 2.983 0 50 IFAA O=C(NCc1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1)c1n[nH]c2c1CCC2 11912125 LQLCPRNGLJCKBL-INIZCTEOSA-N 438.557 2.739 0 50 IFAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C[C@@H]1C[C@@H](C)NC(=S)N1)O2 12028834 XOUMYVLOMXEOAJ-CCKFTAQKSA-N 437.565 2.991 0 50 IFAA O=C(c1nn(CCCc2ccccc2)c2c1CN(C1CCOCC1)CC2)N1CCOCC1 14732041 MYEBBOGKZSZDDM-UHFFFAOYSA-N 438.572 2.525 0 50 IFAA COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)N1CCOCC1 16576613 MUBIBGAWMMJTPR-UHFFFAOYSA-N 428.869 2.761 0 50 IFAA CC(=O)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1O 328595840 GHBZNGUZVMBFEH-UHFFFAOYSA-N 438.527 2.570 0 50 IFAA CC1CCN(C(=O)c2ccc(NC(=O)N3C[C@@H](CO)[C@H](c4cnn(C)c4)C3)cc2)CC1 445242539 ZXUVVMMFVPGQDF-FPOVZHCZSA-N 425.533 2.532 0 50 IFAA O=C1Cc2cc(S(=O)(=O)Nc3cc(-c4cccc(F)c4F)[nH]n3)cc3c2N1CCC3 462377835 BLNJXBYSYVTOAJ-UHFFFAOYSA-N 430.436 2.991 0 50 IFAA Cc1ccc2c(c1)CN(S(=O)(=O)c1ccsc1C(=O)NC[C@H]1CCCCN1)CC2 1857528725 ZFSGPEVHHWWBOS-GOSISDBHSA-N 433.599 2.675 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCCc2ccccc2OC)C1 1857693111 INDJVQHDLZUOCE-MVERNJQCSA-N 443.632 2.957 0 50 IFAA N=c1nc(N2CCOCC2)nc(C(=O)N[C@@H](c2ccccc2Cl)C2CCCCC2)[nH]1 1875339108 WQNPXWZBWCXUGN-QGZVFWFLSA-N 430.940 2.826 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccc(OC)cc1 628107 BLDNSYRSCINTMS-GTVARFKMSA-N 440.546 2.868 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1OC 806878 GJHJRHRMLABGLU-UHFFFAOYSA-N 432.542 2.729 0 50 IFAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 9355952 LRHOREJRTCMJCN-YCFYUYSTSA-N 447.443 2.619 0 50 IFAA COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 15070256 SSFOGFHGCHOPNK-QHCPKHFHSA-N 447.620 2.754 0 50 IFAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nn2)n1 67601847 HCYGLHYWBIMPMO-UHFFFAOYSA-N 446.483 2.713 0 50 IFAA O=C(COC[C@H]1CCCO1)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 225444960 GUUDAYOWHOQDLL-RISCZKNCSA-N 426.229 2.813 0 50 IFAA COC(=O)C[C@H](c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O)c1coc2ccccc2c1=O 888089272 RSADIZVJHWAUMD-KRWDZBQOSA-N 449.463 2.630 0 50 IFAA COc1ccc([C@H](C)Nc2ccc(OC)c(-n3nnnc3C)c2)cc1CN1CCOCC1 2325727011 OKVCTXXPWCQIIC-INIZCTEOSA-N 438.532 2.993 0 50 IFAA Cc1nn(C)c(C)c1CCC(=O)N1CCCCN[C@@H](c2ccccc2)CC(=O)NCCC1 2356162912 SVNKXPBGQZQZSI-HSZRJFAPSA-N 439.604 2.819 0 50 IFAA COc1ccc(OC)c(S(=O)(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)c1 1117583 ROEIZZMTTPLORO-UHFFFAOYSA-N 435.449 2.903 0 50 IFAA COC(=O)c1cc(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)ccc1Cl 2857583 NLJKRGPESDMODY-UHFFFAOYSA-N 440.905 2.848 0 50 IFAA CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2967710 WEMBHQRAKVGPRM-RUAJRXAUSA-N 426.538 2.884 0 50 IFAA CCN1C(=O)C[C@](CC(=O)N2CCN(c3ccc(F)cc3)CC2)(c2ccccc2C)C1=O 11838588 GSIHVASJOALWNS-RUZDIDTESA-N 437.515 2.890 0 50 IFAA CN(C[C@@H]1COCCO1)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 11965193 NPEUQMOVNMVUFK-LJQANCHMSA-N 445.523 2.793 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C)CC1 12040049 NQTTXXJNHYKHCY-UHFFFAOYSA-N 440.529 2.922 0 50 IFAA Cc1cc(C)cc(NC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)N3C2)c1 14538907 RSCCEWPPIAYMHU-UFYCRDLUSA-N 440.931 2.789 0 50 IFAA O=C(c1cn(C2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)nn1)N1CCCC1 14887843 CBIJBOXZDJMPBF-UHFFFAOYSA-N 439.541 2.693 0 50 IFAA O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCC(N3CCC[C@@H](O)C3)CC2)cc1 15004569 GCAMTECWBGQFFQ-JOCHJYFZSA-N 437.540 2.771 0 50 IFAA Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCN4CCOCC4)c3n2)cc1 19212156 HGLXSURZEGPABE-UHFFFAOYSA-N 433.434 2.786 0 50 IFAA CCCCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccccc3)CC2)cc1 19535124 DJJAITDTBKCYJJ-UHFFFAOYSA-N 436.556 2.542 0 50 IFAA O=C1NCCN(Cc2c(F)cccc2Cl)[C@@H]1CC(=O)N1CCOc2ccccc2C1 55359391 GTWFNFXZXYSCJD-LJQANCHMSA-N 431.895 2.591 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NC1Cc2ccccc2C1 55384252 CZEMFYGASQRCAP-FQEVSTJZSA-N 431.458 2.680 0 50 IFAA Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@H](c1c(F)cccc1F)CC(=O)N2 65365823 QGEGBZAFALDRHJ-CYBMUJFWSA-N 426.427 2.560 0 50 IFAA COc1ccc(Cn2c3ncnc4c(ncn4Cc4ccc(OC)cc4)c-3nc2=O)cc1 66066636 COUMZXFUZDBRCZ-UHFFFAOYSA-N 428.452 2.602 0 50 IFAA in-vitro Cc1cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)nc(N2CCCCC2)n1 67612208 MOFYCBNBJVKRKC-UHFFFAOYSA-N 433.512 2.844 0 50 IFAA CCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(OC)cc2)C3)CC1 169758873 UMRFDTRRUBVPRB-OAQYLSRUSA-N 440.544 2.932 0 50 IFAA O=C1C[C@@](CC(=O)N2C[C@H]3CC[C@H]2C3)(c2ccccc2)C(=O)N1CCCOc1cccnc1 244773884 PIGYSKAOAMJDGD-HEKZAOSPSA-N 447.535 2.948 0 50 IFAA COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089696 ZCYXVSXDTNNMFS-KRWDZBQOSA-N 441.484 2.540 0 50 IFAA CNC(=O)C[C@H]1CCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)n[nH]3)sc2C)C1 1506417562 ROBXSSFTKCYIFB-SNVBAGLBSA-N 436.481 2.612 0 50 IFAA CCOc1cc(CN2CCC(C(=O)Nc3ccccn3)CC2)nc2nc(C(F)(F)F)nn12 1875262949 UFJQIPJCDIOZNO-UHFFFAOYSA-N 449.437 2.788 0 50 IFAA COC(=O)c1conc1CNC(=O)COCC(=O)Nc1ccc2c(c1)oc1ccccc12 1875383130 HYBITHPAVXTQQQ-UHFFFAOYSA-N 437.408 2.632 0 50 IFAA CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)S(=O)(=O)c1ccc(OC)cc1 8613681 YZSGZPADIMIHJB-UHFFFAOYSA-N 433.486 2.973 0 50 IFAA CCOc1ccc(NC(=O)Cn2c(=O)n(CC)c(=O)c3cc(Br)ccc32)cc1 9935463 OTUIFBJPIFBPNW-UHFFFAOYSA-N 446.301 2.983 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2ccc(COC)o2)CC1 12592878 CLZCVANUXJNRDZ-UHFFFAOYSA-N 432.517 2.854 0 50 IFAA COc1cc(OC)cc(C(=O)N2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)c1 13425503 JEGPERZRWWGNJY-UHFFFAOYSA-N 430.501 2.688 0 50 IFAA O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 14981719 WEADQPYOOFBMOK-SFHVURJKSA-N 434.496 2.661 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc[nH]3)c(=O)n2[C@H]1c1ccc(Cl)cc1 20608442 YEMKKUBLSPKNQU-FYXHJSOBSA-N 427.913 2.780 0 50 IFAA CCN(Cc1ccccc1)C(=O)Cn1ccn2nc(-c3ccc(OC)cc3)c(CO)c2c1=O 263616018 GMVZAXIIEYZTRL-UHFFFAOYSA-N 446.507 2.713 0 50 IFAA O=C(c1n[nH]c2c1CCC2)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C2CCCCC2)CC1 299767342 QTKAZSRZKVQGOY-FQEVSTJZSA-N 439.604 2.618 0 50 IFAA Cc1ncc(-c2noc(-c3cccc(S(=O)(=O)N4CCc5ccccc5C4)c3)n2)c(N)n1 445473773 WCRUBHWIRDPEHA-UHFFFAOYSA-N 448.508 2.831 0 50 IFAA Cc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)C2=O)cc1 745855334 YCMQKLNZXSTYED-ICSRJNTNSA-N 439.491 2.845 0 50 IFAA CCCc1nc(CNC(=O)[C@@]23CC[C@H](N4CCOCC4)C[C@H]2CCN(CC)C3)cs1 1857682253 TUNNPQKXALFYFW-QMHWCDLVSA-N 434.650 2.925 0 50 IFAA COc1ccc(Cl)cc1N(CC(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccccc1 621922 AZUOEGKUUDXTPE-MRXNPFEDSA-N 438.933 2.839 0 50 IFAA O=C(Nc1ccc(F)cc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1196086 AODQVNKKCDMDSX-UHFFFAOYSA-N 443.294 2.861 0 50 IFAA COc1ccc(/C=C(/NC(=O)c2cccs2)C(=O)NCCCn2ccnc2)cc1OC 8934865 RGSPKAVJVMGTJV-GHRIWEEISA-N 440.525 2.939 0 50 IFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 11911060 VYBBGHHOWFENTF-OALUTQOASA-N 425.573 2.943 0 50 IFAA Cc1ccc(OCC(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCN(c3ccccn3)CC2)cc1 11997885 DOTDDPQKOIDRBH-QFIPXVFZSA-N 448.567 2.746 0 50 IFAA O=C(CC[C@@H]1CCCN(C(=O)c2cnn3cccnc23)C1)NCc1ccc(F)c(F)c1 12026811 XCMJYDGBNVTZSL-HNNXBMFYSA-N 427.455 2.956 0 50 IFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccccc3)N(CC3CCCCC3)C2)nn1 12209403 QNUBWERYHLTDCT-UNMCSNQZSA-N 439.560 2.619 0 50 IFAA CC[C@@H](C)CC(=O)N1CCc2c(sc(S(=O)(=O)N3CCCC3)c2C(=O)OC)C1 12281132 UHUZXAFDGMGKFA-CYBMUJFWSA-N 428.576 2.640 0 50 IFAA COc1cc(CNCc2ccccc2Cl)ccc1OC[C@@H](O)CN1CCC(O)CC1 15068912 RLIKGLIVDRVTAP-FQEVSTJZSA-N 434.964 2.835 0 50 IFAA O=C(c1ccc[n+]([O-])c1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 15075130 CSSBTQQLLXYEIB-QFIPXVFZSA-N 427.520 2.993 0 50 IFAA O=C(NCCN1CCOCC1)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 15659896 RTWNWKFDCONJOK-UHFFFAOYSA-N 425.436 2.539 0 50 IFAA CN(Cc1c(Br)cnn1C)S(=O)(=O)c1ccc(Br)s1 20608126 ZPTKIGYZBBTBCY-UHFFFAOYSA-N 429.159 2.827 0 50 IFAA CC[C@H](C)[C@H](NC(=O)C[C@H](c1ccc(OC)cc1)c1cc2c(cc1O)OCO2)C(N)=O 823491159 IURPNHTULASFDG-IATAILRESA-N 428.485 2.668 0 50 IFAA biogenic CCOc1ccc2nc(N3C[C@@H](C(=O)N(C)Cc4nccn4CC)CC3=O)sc2c1 1857699199 RGCDWCXZUQFVOR-AWEZNQCLSA-N 427.530 2.923 0 50 IFAA CN(Cc1ccc(CNC(=O)[C@@H]2CSCC(=O)N2)cc1)c1nc2ccc(F)cc2s1 1875330299 WOMRYRHGNBTXFU-KRWDZBQOSA-N 444.557 2.920 0 50 IFAA CCCN1C(=O)[C@]2(CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C2)c2ccccc21 2100540340 IJQIZWFLBHKNSH-QHCPKHFHSA-N 439.537 2.660 0 50 IFAA O=C(c1cccs1)[C@@H]1[C@H](c2ccc3c(c2)OCO3)NC(=S)N[C@@]1(O)C(F)(F)F 1120980 ZQKUXTFDTKXXLY-XEZPLFJOSA-N 430.429 2.746 0 50 IFAA CCc1c(O)nc(SCC(=O)Nc2nnc(SCc3ccccc3)s2)[nH]c1=O 10059022 CAKZZHRELUMNNZ-UHFFFAOYSA-N 435.556 2.913 0 50 IFAA COCc1c(C(=O)N(C)[C@@H]2CCOC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 12121742 UQFXTXLCPQWBFW-GOSISDBHSA-N 433.512 2.825 0 50 IFAA COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 13590127 GXQFJILSFNVXPG-INIZCTEOSA-N 433.302 2.931 0 50 IFAA O=C(Nc1ccccc1C(F)(F)F)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1 14532497 VHGOAFRSKDRJGJ-WBAXXEDZSA-N 446.429 2.538 0 50 IFAA COc1ccc(CNCc2c(F)cccc2F)cc1OC[C@H](O)CN1CCCN(C)CC1 20999365 HZZZUUSWEOBDGY-LJQANCHMSA-N 449.542 2.640 0 50 IFAA Cc1ccc(C)c(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)c1 169775803 MEELHMSDHXXSCC-UHFFFAOYSA-N 430.464 2.939 0 50 IFAA C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)C(=O)c1cccc(Cl)c1 239339003 LOQBAPSGARVXSQ-JPMXYSFMSA-N 427.884 2.898 0 50 IFAA Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)N1c2ccccc2C[C@H]1C 252458367 CPQOUQXNDVHRHR-CRICUBBOSA-N 443.551 2.940 0 50 IFAA CN1CCCC[C@H]1C(=O)NC[C@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 299762092 RHVQUPIUFCVEJG-NQIIRXRSSA-N 428.554 2.661 0 50 IFAA C[C@H](NC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1noc(Cc2ccccc2)n1 431650875 GDVXJZGWEJWWDP-PKOBYXMFSA-N 449.511 2.701 0 50 IFAA Cc1nc(-c2ccco2)ccc1C(=O)OCC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1 783374286 JZQJAPGYOJOESU-AWEZNQCLSA-N 439.443 2.940 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)N2CC(Oc3ccccc3C)C2)C1 1857687696 AEZREMYOKWKZPA-TVZXLZGTSA-N 441.616 2.798 0 50 IFAA NC(=O)N[C@@H](CC(=O)N1CC[C@@H](OCc2cccnc2)C1)c1ccc(Br)cc1 1875261744 FWHXVUOGGXDEKN-MSOLQXFVSA-N 447.333 2.761 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4Cc5cccc(Cl)c5C4)ccc3C2=O)C(=O)N1 2325898141 UWDHKLGMRBYWRB-GOSISDBHSA-N 438.871 2.649 0 50 IFAA Cc1c(I)cnn1CCC(=O)N[C@H](Cn1cccn1)C(C)(C)C 2778810 FCNUXHXQKKEHJP-CQSZACIVSA-N 429.306 2.614 0 50 IFAA COc1ccc(CN(C)[C@@H]2CCc3c(c(C(=O)N4CCSCC4)nn3C)C2)cc1OC 14542043 CRCMFZXZWXRCQP-QGZVFWFLSA-N 444.601 2.616 0 50 IFAA CCOC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1CN(CC)CCO 15070412 LBNIOWTYDCOASH-UHFFFAOYSA-N 430.530 2.995 0 50 IFAA Cc1oc(-c2cccc(NC(=O)c3ccccn3)c2)nc1CNC(=O)[C@@H](C)N1CCOCC1 19884435 HVRSEGJCWBKQAT-MRXNPFEDSA-N 449.511 2.634 0 50 IFAA Cc1ccc(C)c(N2CCN(C(=O)CCn3ccn4nc5c(c4c3=O)CCCC5)CC2)c1 169760348 VFWKXOHGISUDIB-UHFFFAOYSA-N 433.556 2.731 0 50 IFAA COc1ccc(NC(C)=O)cc1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@H]21 239310304 IIALHVOAKODKED-AZUAARDMSA-N 429.542 2.959 0 50 IFAA O=C1CN(C/C=C/c2ccccc2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857711622 ISWCEZAQALTAKS-XBXARRHUSA-N 427.932 2.984 0 50 IFAA Cc1cocc1C(=O)N[C@@H]1CCOC2(CCS(=O)(=NC(=O)CCc3ccon3)CC2)C1 2332238312 KOAXBASITNPTKU-YPIFFHBRSA-N 449.529 2.645 0 50 IFAA CCc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(CC)cc3)CC2)cc1 709590 KITPQKSGXAKCIP-UHFFFAOYSA-N 436.599 2.897 0 50 IFAA CCc1c(-c2ccccc2)n(C[C@@H](O)c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 974286 VHCWXFVSNVGSEN-LJQANCHMSA-N 443.507 2.649 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(F)c1 1129424 ASWIYHPDPJUGAL-UHFFFAOYSA-N 425.913 2.594 0 50 IFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N2CCCC[C@H]2CCNC(C)=O)c1 11758960 BDZCHRNQOZPSHU-IBGZPJMESA-N 445.560 2.606 0 50 IFAA C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O 12380426 YMINRELBLAEXJF-QGZVFWFLSA-N 435.977 2.839 0 50 IFAA O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ncoc1-c1ccc2c(c1)OCCO2 460208341 YOEQJXGFSMLOOA-QGZVFWFLSA-N 449.463 2.523 0 50 IFAA CSCC[C@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)n1c(O)nc2ccccc2c1=O 888088927 XWKIEHVJDKOHKX-YBOAYWMSSA-N 431.558 2.550 0 50 IFAA COC(=O)CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)ccc21 1775964821 GBBQSZJZSHYDOQ-HXUWFJFHSA-N 442.537 2.885 0 50 IFAA O=C(N=c1ccn(-c2cccc(C(F)(F)F)c2)[nH]1)N[C@@H]1CCN(C(=O)c2ccncc2)C1 1875258757 YHZDBZTZLUERMW-MRXNPFEDSA-N 444.417 2.744 0 50 IFAA O=C(NCCC[C@@H](NC(=O)C1(n2cncn2)CC1)c1ccccc1)c1nc(Cl)cs1 1875354848 QPELPLCTXBOMNQ-OAHLLOKOSA-N 444.948 2.945 0 50 IFAA O=C(N[C@H]1CCCC12CN(c1nc(-c3cccnc3)nc3c1CCC3)C2)[C@H]1CC=CCO1 1875359934 UFDHFKHOFUZIAE-RTWAWAEBSA-N 431.540 2.848 0 50 IFAA C[C@@]1(CNC(=O)c2ccnc3[nH]ncc23)CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 1875360304 FBFZHURPFQUQMT-QHCPKHFHSA-N 429.484 2.630 0 50 IFAA Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCC[C@](O)(Cc3nc(C(C)C)no3)C2)c(C)c1 2325757689 QGEZIAXBQTTZNL-SBUREZEXSA-N 443.548 2.916 0 50 IFAA CCOc1ccc(N(CC(=O)NCCOC)S(=O)(=O)c2ccc(SC)cc2)cc1 2958458 HRMBZERBXLPJPP-UHFFFAOYSA-N 438.571 2.765 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1 6489296 OSQZKPQOLBSKTH-PRWBYUBPSA-N 448.500 2.527 0 50 IFAA Cc1cc(C)n(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)n1 12438136 GCVXYFUINMDPHF-DEOSSOPVSA-N 445.567 2.674 0 50 IFAA O=C(c1coc(CN2CCN(c3ncccn3)CC2)n1)N1CC[C@@H](c2ccc(F)cc2)C1 15074815 WBKDWPPXMRMFHM-GOSISDBHSA-N 436.491 2.556 0 50 IFAA CCn1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@H]3C)cc2)c1C 19632473 GQHZDXWDPGZOIR-GASCZTMLSA-N 440.591 2.964 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNC3(c4ccccc4)CC3)cc2OC)CC1 23361345 HBEGFPKICMDLAN-HSZRJFAPSA-N 439.600 2.851 0 50 IFAA Cn1nc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c2ccccc21 169775646 SSQJPYZQHBAQTK-UHFFFAOYSA-N 430.443 2.619 0 50 IFAA CC(C)Cc1ncnc(NCc2ccc(S(N)(=O)=O)cc2)c1I 225649860 DEYSEVQSALBJPA-UHFFFAOYSA-N 446.314 2.539 0 50 IFAA O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 239090944 HMOOHAJODBTTHZ-GHIJRLNRSA-N 429.472 2.831 0 50 IFAA CC(=O)c1cccc(N(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)C(=O)C(F)(F)F)c1 239165174 NQAKXRMWKLZAAY-UXJCHEOYSA-N 432.398 2.795 0 50 IFAA COc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(N5CCCCC5)CC4)c3CO2)cc1 263616114 HDNHYUQFCQUUNY-OAQYLSRUSA-N 425.533 2.649 0 50 IFAA O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)N1CC[C@@](O)(c2nc(C3CC3)no2)C1 763833669 PXDDKCSZSNDNNL-GUNSETOZSA-N 430.408 2.700 0 50 IFAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H]3COc4ccccc4O3)CCSCC2)o1 1776111562 FHCRWZFONFSMRI-HNNXBMFYSA-N 431.510 2.765 0 50 IFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3cn4ccccc4n3)CCSCC2)o1 1776111699 LYSJPCOCKDNAED-UHFFFAOYSA-N 427.526 2.815 0 50 IFAA O=C(NC[C@@H]1Cc2ccccc2CN1C(=O)c1cncc(O)c1)c1cccc2[nH]ncc12 1875361552 VHRWEUZPMJCIFO-SFHVURJKSA-N 427.464 2.661 0 50 IFAA Cc1cnn2c(-c3ccccc3)cc(N3CCN(c4nccn5c(C)nnc45)CC3)nc12 2325870920 URNCIZCBARDIDE-UHFFFAOYSA-N 425.500 2.777 0 50 IFAA COc1ccc(C(=O)N2CC3(C)CN(C(=O)c4ccc(OC)cc4)CC(C)(C2)C3=O)cc1 785118 DTOCSANSBFGDOC-UHFFFAOYSA-N 436.508 2.897 0 50 IFAA O=C(O)CCC(=O)N(CCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 2189080 DQFKMTHXGBUEDH-GOSISDBHSA-N 428.872 2.908 0 50 IFAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCCOc2ccc(Cl)cc2)cc1 2879349 FSMXRIVWQXSNTL-SFHVURJKSA-N 436.917 2.523 0 50 IFAA COC(=O)c1cc(CNC(=O)Cc2ccsc2)cc(NC(=O)c2cc(C)nn2C)c1 12042097 PKQGQRMRBIQVED-UHFFFAOYSA-N 426.498 2.688 0 50 IFAA COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)Cn2cncn2)O3)c1 12149992 PHKWTVCQQVXIJV-QGZVFWFLSA-N 426.860 2.505 0 50 IFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H](C)c2cccc(OC)c2)c1=O 12457152 AVZPWWDEIVJKJI-QGZVFWFLSA-N 433.508 2.950 0 50 IFAA O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 14743550 KYYKBAURRCBMMR-QGTPRVQTSA-N 447.322 2.826 0 50 IFAA O=CN1CCCN(C(=O)CCN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)CC1 14879320 GUQNWUOOFBJVBY-HSZRJFAPSA-N 425.504 2.842 0 50 IFAA O=C(NC[C@@H]1CCCN(C(=O)c2cccc(N3CCNC3=O)c2)C1)c1cc2ccccc2[nH]1 15075063 XPTHILAFZZSPJT-KRWDZBQOSA-N 445.523 2.980 0 50 IFAA CSc1nc(O)c(C(c2ccc(Cl)cc2)c2c(O)nc(SC)[nH]c2=O)c(=O)[nH]1 16225198 HLJDVBFQCMRZJH-UHFFFAOYSA-N 438.918 2.542 0 50 IFAA COC(=O)CCC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55054189 JEGZGJXGRGZHPU-GOSISDBHSA-N 427.467 2.772 0 50 IFAA COc1ccc(CNC(=O)CN2C(=O)N[C@H](c3ccc(Cl)cc3)C3=C2COC3=O)cc1 169757885 WRBRNMFTEMBIDD-HXUWFJFHSA-N 441.871 2.542 0 50 IFAA CCOc1cc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)ccc1O 239433063 XECKZJRXQSHIAF-URFJDIBFSA-N 436.501 2.734 0 50 IFAA COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c(Cl)cccc54)[C@H]3C2=O)cc1 245246503 NBEZVFUWBMAGIP-JFNLIGNMSA-N 437.883 2.780 0 50 IFAA O=C(NCc1nnnn1CC1CC1)c1nn(-c2cccc(C(F)(F)F)c2)c2c1CCC2 1875261578 BXXFUYZMSDYQTC-UHFFFAOYSA-N 431.422 2.706 0 50 IFAA COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 949258 FEXRXFPLNIMJHG-UHFFFAOYSA-N 426.454 2.625 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 8442919 GCSRYIUBFIRDKF-CKNGIZQFSA-N 434.517 2.807 0 50 IFAA CC(=O)N1CCC(N2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)CC1 12449472 PRZAVCRZURZZEN-UHFFFAOYSA-N 436.556 2.866 0 50 IFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(CCCc1ccccc1)CC2 14530302 MWIHIJCQQKMMEV-UHFFFAOYSA-N 436.556 2.960 0 50 IFAA CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1=O 20601606 ULRYMSHGXPSSAG-DENIHFKCSA-N 435.524 2.664 0 50 IFAA COc1ccc(C(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)cc1OC 64799768 AWLRENUEZBWHES-UHFFFAOYSA-N 425.533 2.755 0 50 IFAA COC(=O)[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)c1c(C)cccc1C 170597946 VIIVKNIDQOJBOT-FQEVSTJZSA-N 448.541 2.643 0 50 IFAA C[C@H]1CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)C[C@H](CO)O1 170605403 KITKWQVHDWWQRL-GXSJLCMTSA-N 438.328 2.527 0 50 IFAA CCOC(=O)c1c(-c2cccs2)csc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 170609216 AVMRYZWPMCBAKD-UHFFFAOYSA-N 439.540 2.892 0 50 IFAA CC1(C)O[C@@H]2O[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 239297289 DYPWYALADNLMHN-SSZWKKLZSA-N 433.379 2.920 0 50 IFAA COc1ccc(-c2nn3ccn(Cc4noc(-c5ccccc5)n4)c(=O)c3c2CO)cc1 263619592 ZLEOAASCQWUSGY-UHFFFAOYSA-N 429.436 2.762 0 50 IFAA CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN(C)Cc1nonc1C 299765466 BDSVEDHPPQTRQW-UHFFFAOYSA-N 438.484 2.921 0 50 IFAA O=C([C@H](O)c1ccc(Cl)cc1F)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 813368862 RZNSHPQIBOKZAY-QGZVFWFLSA-N 447.315 2.699 0 50 IFAA O=C(NCc1ccc(O)nn1)N1CC[C@@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952892250 GAESZHRMQPQOBF-GOSISDBHSA-N 434.378 2.648 0 50 IFAA O=C1CC[C@H](N2Cc3ccc(NC(=O)CCc4cc5ccccc5o4)cc3C2=O)C(=O)N1 2325896406 XZMKTHKYHKZVAX-IBGZPJMESA-N 431.448 2.765 0 50 IFAA COc1ccccc1-n1nnnc1SCCSc1nnnn1-c1ccccc1OC 3624548 MNPVPEBERHBQFQ-UHFFFAOYSA-N 442.530 2.540 0 50 IFAA O=C(NC[C@H]1CCCO1)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccncc2)C1 14749652 ASRYGAOPAFTPJJ-NNMXDRDESA-N 440.519 2.593 0 50 IFAA Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)n1 15671253 YKKDOQMQRRJZMZ-UHFFFAOYSA-N 429.590 2.821 0 50 IFAA CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 17096251 HWEPPTIJYSPZOJ-UHFFFAOYSA-N 428.963 2.598 0 50 IFAA COc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)cc1F 169770356 ZCMFSOWSYLMFQW-UHFFFAOYSA-N 428.439 2.926 0 50 IFAA O=C(Nc1cccc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1)c1ccc2nc[nH]c2c1 483979942 SSOLCCJAIPNOMJ-SFHVURJKSA-N 447.539 3.000 0 50 IFAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 734801566 PRGFISFBMFYWQY-BWKNWUBXSA-N 443.507 2.899 0 50 IFAA COC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(N)n2CCc2ccccc2)cc1 1076729 UOBUSCCLLYUFCX-UHFFFAOYSA-N 438.509 2.586 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCCc1cn2ccccc2n1 12306126 UJWHZXNXTGIZNU-HSZRJFAPSA-N 441.535 2.537 0 50 IFAA O=C(NCCN1CCCCC1=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 12701881 KRVDHBQKDTVHJG-MRXNPFEDSA-N 425.451 2.573 0 50 IFAA O=C(CCc1cccnc1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccncc2)C1 14733762 IWDHBRHFJSELOQ-QHCPKHFHSA-N 436.556 2.998 0 50 IFAA COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 14752201 JBCIEEHGOJCOTN-UHFFFAOYSA-N 449.551 2.805 0 50 IFAA COCC(=O)Nc1cc(C(=O)NCCCn2ccnc2)cc2nc(-c3ccccc3)n(C)c12 14988358 LCLGUUFWKKILIR-UHFFFAOYSA-N 446.511 2.842 0 50 IFAA CN1CCC[C@H](CNC(=O)c2cn(C3CCCCC3)cc(C(=O)NC(C)(C)C)c2=O)C1 14994432 FLXKNKBMMNQVGM-QGZVFWFLSA-N 430.593 2.953 0 50 IFAA O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 22972200 MOWVSZAFYOSXCY-LJQANCHMSA-N 428.330 2.899 0 50 IFAA Cc1cc(OCc2nn3c([C@@H]4CCCN(S(C)(=O)=O)C4)nnc3s2)ccc1Cl 951727018 VAHHZIYFKQBJEC-GFCCVEGCSA-N 441.966 2.866 0 50 IFAA CSCC(=O)N1C[C@@H]2CN(c3nc(C(N)=O)cs3)C[C@@]2(CCc2ccccc2)C1 1772807786 AQMOEYYGIFDVHB-IIBYNOLFSA-N 430.599 2.503 0 50 IFAA CC(C)C1CCC(c2cn(-c3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4)nn2)CC1 1875355348 HMWBHJZRWAHROK-CPAJTMIGSA-N 435.528 2.958 0 50 IFAA Cc1c(NC(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)cccc1OC(F)F 2325896014 OQQBQRWKSGMUNN-MRXNPFEDSA-N 443.406 2.610 0 50 IFAA COCc1ccoc1C(=O)N=[S@@](C)(=O)C1CCN(C(=O)c2cccn3nccc23)CC1 2332239100 WTFSHRUDPRNBGF-HKBQPEDESA-N 444.513 2.617 0 50 IFAA COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)CN2CCCCC2)CC1 14961301 FCTXQQLQICIXCF-UHFFFAOYSA-N 425.533 2.793 0 50 IFAA O=C(C1CCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)CC1)N1CCCCC1 15066882 XDTZMCSHFLIHRI-GOSISDBHSA-N 425.529 2.691 0 50 IFAA O=C(NCc1nnc2n1CCN(Cc1ccccc1C(F)(F)F)CC2)c1ccncc1 19836640 ZWYYVWWJSLNDIO-UHFFFAOYSA-N 430.434 2.680 0 50 IFAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CNCCN2CCCCC2)C[C@@H](C)O1 20992372 UGZPJKCKMUKMQD-CALCHBBNSA-N 433.984 2.813 0 50 IFAA O=C(c1ccccc1)N1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 100572043 LUGNIDLRXSPFIC-SFHVURJKSA-N 442.313 2.539 0 50 IFAA Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)n2nc(C(F)(F)F)nc2n1 170596616 RHPVWXHIIHEOCM-CQSZACIVSA-N 432.406 2.719 0 50 IFAA CC(C)(C)OC(=O)N1CCC(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)O)CC1 253483601 PMJXXYFXVGVQIV-WOJBJXKFSA-N 445.560 2.583 0 50 IFAA CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 764987284 BDTFMXSWXLKJQV-HOTGVXAUSA-N 427.542 2.528 0 50 IFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 2332237330 JDGXZKLSGHMTSY-OALUTQOASA-N 430.595 2.970 0 50 IFAA Cc1nn(C)cc1/C=C1/N=C(SCC(=O)NCc2ccccc2)N(CC(C)C)C1=O 2786051 ZAKOERXUZADZJT-VXLYETTFSA-N 425.558 2.973 0 50 IFAA COc1cc(C[C@]2(CCC(=O)NCc3cn4ccsc4n3)CCC(=O)N2)ccc1F 11784632 FEFXHFULWSQTHP-NRFANRHFSA-N 430.505 2.831 0 50 IFAA COc1ccc(CCC(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)cc1 12278868 HHKUXFLUYLKFNE-LJQANCHMSA-N 427.549 2.829 0 50 IFAA COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)CSc2nc(C)cs2)C1 12299140 PTQHRMKMPFYVLW-INIZCTEOSA-N 449.598 2.986 0 50 IFAA COC(=O)[C@H](CSCc1ccccc1)NC(=O)CSc1nc(SC)ns1 12417358 VJADKVKHDCSAMN-LBPRGKRZSA-N 429.614 2.943 0 50 IFAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4cc(Cl)ccc4C)c2=O)CCCCC3)no1 169764007 RMALOVDCQBIJJE-UHFFFAOYSA-N 443.891 2.695 0 50 IFAA CC(C)(NC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1)c1ccccc1 408521292 OLJWKWGXLBXANO-RNWQKYJXSA-N 440.565 2.742 0 50 IFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 426240502 RFISQRPHOMHRAR-IIEJZKKVSA-N 431.939 2.866 0 50 IFAA COc1cccc(C(=O)N2CCC(C(=O)NCc3csc(-c4cnccn4)n3)CC2)c1 824766938 KBTTZEHLFGCKMU-UHFFFAOYSA-N 437.525 2.777 0 50 IFAA C[C@@H](SCc1ccc(Cl)cc1)C(=O)N1CCC(N2CCN(CCO)CC2)CC1 952870242 UNDIKHSYNDBSRY-QGZVFWFLSA-N 426.026 2.563 0 50 IFAA Cc1cnc([C@H](C)NS(=O)(=O)c2cc(C(F)(F)F)cnc2NC[C@H]2C[C@H](O)C2)o1 2325823160 HUEXJLFDRZPXCE-GVXVVHGQSA-N 434.440 2.619 0 50 IFAA O=C(NS(=O)(=O)c1ccc(Br)cc1Cl)c1cn(CCC2CC2)nn1 2325841015 ACZQEFNBZNSKKX-UHFFFAOYSA-N 433.715 2.613 0 50 IFAA NCc1nc(-c2ccc(NS(=O)(=O)c3cc4c(cc3Cl)CCCC(=O)N4)cc2)n[nH]1 2325876516 YENAOUXKASHSQB-UHFFFAOYSA-N 446.920 2.659 0 50 IFAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)c(OC)c2)c1 909932 JQUJAQRALZSNGT-IBGZPJMESA-N 429.498 2.850 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1cccs1 8424762 HAAXBSWVXZCUNO-WPNIOXTASA-N 440.546 2.868 0 50 IFAA COCCN1C(=O)C[C@@](CC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)(c2ccccc2F)C1=O 12157577 BYBGLILTQUSZHR-BNYHDKQHSA-N 442.531 2.896 0 50 IFAA CCOC(=O)N1CCN([C@H]2CCCN(Cc3cnc(-c4ccc(OC)cc4)nc3)C2)CC1 20323495 AOYCENAMRPBUBN-NRFANRHFSA-N 439.560 2.891 0 50 IFAA COc1cc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)cc(Cl)c1O 20999277 AWPVZIKVMVDDLP-IBGZPJMESA-N 426.001 2.796 0 50 IFAA CN(C)c1ncc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 23375081 KYGROXJYROIEMT-IBGZPJMESA-N 443.617 2.720 0 50 IFAA CC(C)OC(=O)c1cc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)cc(C(=O)OC(C)C)c1 137349132 XBGRXJILLRDHNG-ZJPYXAASSA-N 433.457 2.634 0 50 IFAA CCOC(=O)C1=C(CN2CCO[C@@H](c3ccc(F)cc3)C2)NC(=O)N[C@H]1c1ccco1 252463418 NJFLXUQZVZHYAB-QUCCMNQESA-N 429.448 2.663 0 50 IFAA CCC(CC)CN1CCc2c(C(=O)OC)c(OC[C@H]3CCCN(C)C3)cc(=O)n2CC1 299756486 FWSLOCXHNLXLQN-IBGZPJMESA-N 433.593 2.650 0 50 IFAA CC1CCN(C(=O)c2ccc(NC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)cc2)CC1 495044341 CLIWPOHHGACDRI-XMMPIXPASA-N 434.496 2.866 0 50 IFAA O=C(CCC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)N1CCN(c2ccccc2)CC1 498902667 ZIIBLHPJGPPEEL-LJQANCHMSA-N 436.560 2.517 0 50 IFAA Cc1c(CNC(=O)[C@@]2(Cc3cscn3)C[C@H]3CC[C@@H]2N3CC(N)=O)oc2ccccc12 1704313555 QUQRRNCTYRVIQU-CGYQNGNCSA-N 438.553 2.765 0 50 IFAA CSc1nnc(CNC(=O)CN2C[C@H](c3ccccc3)CC2=O)n1-c1ccc(F)cc1 11983403 WYQSWSNYZFQHOC-MRXNPFEDSA-N 439.516 2.761 0 50 IFAA CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 12307557 BNMNEGJFRBIYKI-FQEVSTJZSA-N 428.577 2.504 0 50 IFAA C[C@H](c1ccon1)N(C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 12453866 IZSPKQKCGBJNPN-CJAUYULYSA-N 446.507 2.919 0 50 IFAA CCN1C(=O)/C(=c2\sc3nc(-c4ccc(OC(C)C)cc4)nn3c2=O)c2ccccc21 13550824 MUDFCUCLRNWCPF-HNENSFHCSA-N 432.505 2.890 0 50 IFAA COc1ccc(CN2C[C@H](OCc3cccnc3)CN(Cc3ccccn3)CC2=O)cc1 14540371 NFQYABZHJJKGHV-XMMPIXPASA-N 432.524 2.915 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1c(F)cccc1F)C2 14731718 VZKZUEXUXGSJGV-MRXNPFEDSA-N 432.515 2.937 0 50 IFAA CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cn1 17100292 FOEASYQCAZEKEK-UHFFFAOYSA-N 436.515 2.513 0 50 IFAA COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CCN(Cc1ccc(C)o1)CC2 19743655 QJLYYXQITQBARV-SFHVURJKSA-N 430.501 2.543 0 50 IFAA O=C(NCc1ccccc1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20541079 HWNJYVTUMNCCIU-JOCHJYFZSA-N 436.556 2.907 0 50 IFAA COCCN1C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4c(ccc5cccnc45)C=C[C@@H]3[C@@H]2C1=O 245310083 HJLLEAXAUCBGJM-WKRCXCSHSA-N 433.508 2.682 0 50 IFAA O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2)C1)N1CCN(c2cnccn2)CC1 299772411 WRBJLZPTFRLHSO-HSZRJFAPSA-N 429.524 2.761 0 50 IFAA COCCn1ccc2c(OCC(=O)Nc3ccc4nnn(C(C)C)c(=O)c4c3)cccc21 409414231 IWBRVOCRRRDZSX-UHFFFAOYSA-N 435.484 2.991 0 50 IFAA C[C@]1(O)CC2(CCN(C(=O)c3ccc(OCc4ccccc4F)cc3)CC2)OC[C@@H]1O 1704299947 OUOXJHIGIFZECV-GMAHTHKFSA-N 429.488 2.912 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccccc1Cl 724080 WAAMUJQNJOUNNF-FJJYYWMZSA-N 428.897 2.963 0 50 IFAA CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3c(F)cccc3Cl)C2)c1 1077201 PAYROJSEWNYIAD-MRXNPFEDSA-N 445.925 2.961 0 50 IFAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12 1146417 MEQUQAJVQWRJRK-HSGJQSDISA-N 447.443 2.619 0 50 IFAA CCOC(=O)c1cnn(-c2nc3ccccc3[nH]2)c1CN1CCC[C@H](C(=O)OCC)C1 12240620 WQKMQXMHHGPYQF-HNNXBMFYSA-N 425.489 2.700 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cccc(F)c1F)C2 14538451 MSGAGFZVUVTAMY-QGZVFWFLSA-N 432.515 2.937 0 50 IFAA CCc1noc(C)c1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 15064880 PRVDPQUEGKQMTF-LJQANCHMSA-N 439.560 2.922 0 50 IFAA O=C1S/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1CN1CCOCC1 16383114 KELVSNIHTVIQCT-MKMNVTDBSA-N 427.276 2.504 0 50 IFAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 20540758 VRBDADCBNKHMBH-GOSISDBHSA-N 434.562 2.568 0 50 IFAA CN1CCCN(C(=O)c2nc3sccn3c2CN(CC2CCC2)C[C@H]2CCCO2)CC1 257371902 ZMUWFQHXGKPNAY-LJQANCHMSA-N 445.633 2.955 0 50 IFAA COc1cccc([C@H](CNC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)N(C)C)c1 447125406 MDPJZKCUHOTJGZ-OALUTQOASA-N 432.471 2.681 0 50 IFAA Cc1cc(NC(=O)CN2CCN(C(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)CC2)no1 482916598 AMXNQSSTZUSCER-QGZVFWFLSA-N 445.495 2.690 0 50 IFAA COC(=O)c1ccc(C(=O)N2CC[C@](c3nc(-c4ccncc4)no3)(C(F)(F)F)C2)[nH]1 952894144 PZIDQYGEIJQYPM-SFHVURJKSA-N 435.362 2.593 0 50 IFAA CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)c1ccc([C@H]3CCCO3)s1)CC2 952975176 QHQUDEIYHZZPPV-MRXNPFEDSA-N 441.557 2.866 0 50 IFAA CCc1c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C3CCCC3)CC2)cnn1CC(C)C 2325829538 MAIXXMGDGONFOZ-JOCHJYFZSA-N 429.609 2.793 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 899540 VKSUFKRDFMYDIR-UHFFFAOYSA-N 446.550 2.544 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(N3CCN(c4ccccc4F)CC3)CC2)cc1 6161635 DJAZBQMPUFUZRN-UHFFFAOYSA-N 433.549 2.810 0 50 IFAA COc1ccc(CCNC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1OC 8609334 UYPKIKXEZFEVBI-UHFFFAOYSA-N 435.406 2.735 0 50 IFAA O=C(COc1ccc(N2CCN(c3ccccn3)CC2)nn1)N[C@H]1CCCc2ccccc21 11872033 UJXHNXHPVXAMGX-NRFANRHFSA-N 444.539 2.771 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cc4c(C)noc4C)o3)CC2)cc1 13640977 LJFUXMWYJUPZCL-UHFFFAOYSA-N 443.525 2.930 0 50 IFAA CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cnn(C)c1)CC2 14536325 CKXJCYXVTUYWLW-UHFFFAOYSA-N 435.572 2.842 0 50 IFAA CC[C@H](C)CNc1cc(C(=O)NCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 14540418 HHYVEJFZWMOOBG-KRWDZBQOSA-N 433.578 2.556 0 50 IFAA Cc1n[nH]c(C)c1CNC(=O)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 20454375 PBSAOHHCOUDYSC-RMKNXTFCSA-N 434.544 2.776 0 50 IFAA COCc1ccc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 20920865 ZZJXUSLUSHXXLZ-FQEVSTJZSA-N 427.545 2.937 0 50 IFAA Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 33318394 MRSDCCWSNYPFKY-UHFFFAOYSA-N 435.981 2.940 0 50 IFAA O=C(NCc1ccc(N2CCOCC2)nc1)c1cccc(-c2noc(C(F)(F)F)n2)c1 240668147 HMPGAQVEUREAPJ-UHFFFAOYSA-N 433.390 2.917 0 50 IFAA O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1c[nH]c2ccncc2c1=O 390832771 LINQICIJEJNNTK-UHFFFAOYSA-N 426.904 2.850 0 50 IFAA C[C@@H]1Oc2ccc(C(=O)CSCC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)cc2NC1=O 1857798999 IWWVDIXGTGIEDQ-TXEJJXNPSA-N 440.477 2.924 0 50 IFAA COc1ccc(Br)c([C@H](CO)N(C)S(=O)(=O)c2c(O)cccc2OC)c1 1875322893 MKCCWFLXHBHZNP-AWEZNQCLSA-N 446.319 2.526 0 50 IFAA CCc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C3CCCC3)CC2)cnn1CC(C)C 2325829539 MAIXXMGDGONFOZ-QFIPXVFZSA-N 429.609 2.793 0 50 IFAA O=C1CC[C@@H](N2Cc3ccc(CNC(=O)c4c(Cl)cccc4Cl)cc3C2=O)C(=O)N1 2325886630 CXWRGVBYNAYYOI-MRXNPFEDSA-N 446.290 2.684 0 50 IFAA Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c1 1140538 UFNXVQXNDYJWAR-UHFFFAOYSA-N 429.542 2.944 0 50 IFAA O=C(NCCn1ccnc1)c1cc(NCC2CC2)cc(S(=O)(=O)Nc2ccccc2)c1 14536507 HNMWUFHBEUXDFQ-UHFFFAOYSA-N 439.541 2.936 0 50 IFAA Cc1ccsc1C(=O)N1CCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)CC1 14984749 OMPMRXFJGWLDQY-MRXNPFEDSA-N 439.537 2.794 0 50 IFAA O=C(c1ccc[n+]([O-])c1)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 15075131 CSSBTQQLLXYEIB-JOCHJYFZSA-N 427.520 2.993 0 50 IFAA CC(C)Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(F)cc1F 20018391 SSQYUPFLVWOKDD-UHFFFAOYSA-N 425.505 2.775 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3ccc(F)cc3)cc2OC)CC1 20206162 XVADZTKMSXNUGA-QFIPXVFZSA-N 431.552 2.501 0 50 IFAA O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 20509981 ZLKUCZBZKHGTJH-AEFFLSMTSA-N 437.466 2.996 0 50 IFAA O=C(/C=C/c1ccccn1)N1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 20908677 XJNUEAOLGQGLFU-FGBWHXJSSA-N 434.540 2.632 0 50 IFAA C[C@H]1CN(C(=O)c2nc3sccn3c2CN(C)Cc2ccc3nonc3c2)C[C@@H](C)O1 55211261 DYNKNOSSDRAYER-OKILXGFUSA-N 440.529 2.813 0 50 IFAA Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)N=C(CCc1ccccc1)N2 100868954 QQNRIMROBMVHMP-UHFFFAOYSA-N 434.340 2.861 0 50 IFAA Cc1c(C)[n+]([O-])c([C@@H](CC(C)C)C2C(=O)N(C)C(=O)N(C)C2=O)n1Cc1ccccc1 263588406 TUJPVTSWFLOJBA-SFHVURJKSA-N 426.517 2.583 0 50 IFAA CCCC(=O)N1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(C[C@H]3CCCO3)C2=O)CC1 299770145 QPVRMAMCLDXARE-YKSBVNFPSA-N 445.535 2.877 0 50 IFAA COc1ccccc1-c1ccc(C(=O)NCCCN2CCN(c3ccncc3)CC2)c(O)n1 1292314716 SQZONMNUPIPHCD-UHFFFAOYSA-N 447.539 2.800 0 50 IFAA Cc1nc(CCNC(=O)[C@@H]2CC(=O)N(c3nc4ccccc4s3)C2)nc2c1CCCC2 1857739218 NETVXPQNJDIMKC-OAHLLOKOSA-N 435.553 2.985 0 50 IFAA COc1ccc(-c2cs/c(=N\Cc3ccc(S(N)(=O)=O)cc3)n2[C@H]2CCOC2)cc1 1875261289 KUBQCAMQPQPEJF-JHGXHUTESA-N 445.566 2.935 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2ccccc2Cl)c(F)c1 12711616 KFESRCLXOGAZET-HXUWFJFHSA-N 433.911 2.537 0 50 IFAA O=C1CN(C2Cc3ccccc3C2)C[C@H](OCc2ccncc2)CN1CC1CCOCC1 14538042 OHJBICQPRJQKFQ-VWLOTQADSA-N 435.568 2.705 0 50 IFAA CCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2COC)CC1 14997677 FGGLGEZNFMVIPG-UHFFFAOYSA-N 426.546 2.705 0 50 IFAA Cn1cc(CCNC(=O)C[C@H]2NC(=O)N(c3cc(F)c(F)c(F)c3)C2=O)c2ccccc21 886025671 RRXWDAGJIVHBAC-QGZVFWFLSA-N 444.413 2.769 0 50 IFAA CN(Cc1nc(O)c2ccccc2n1)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 919916041 BJTXNZUQMYMEEC-UHFFFAOYSA-N 429.480 2.887 0 50 IFAA Cn1ccnc1[C@@H]1CCCN1C(=O)CCSCCC(=O)N1CCC[C@H]1c1nccn1C 2325730267 HYBZXOTUYDJWMO-ROUUACIJSA-N 444.605 2.694 0 50 IFAA COc1ccccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl 1127236 QTIKTVSRENMLFH-UHFFFAOYSA-N 426.860 2.936 0 50 IFAA COCCN(C(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)C(C)C 12055802 JGQPTHSRRHRYCU-XMMPIXPASA-N 437.584 2.892 0 50 IFAA O=C(COc1ccccc1)NCCc1nnc2n1CCN(Cc1cccc(Cl)c1)CC2 12149746 GJVHBMBZHCWWJV-UHFFFAOYSA-N 439.947 2.728 0 50 IFAA COc1cc(C(=O)N2CCC[C@H]2c2nonc2C)ccc1OC1CCN(C(C)=O)CC1 12303624 RHBTVXCUOBWZGO-SFHVURJKSA-N 428.489 2.754 0 50 IFAA COc1cccc(CCNc2ncnc3sc(C(=O)NC[C@H]4COCCO4)c(C)c23)c1 12451616 ZYEUDPLSLBRJAO-KRWDZBQOSA-N 442.541 2.808 0 50 IFAA CCOC(=O)c1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(C(=O)OCC)c1 13041603 RDLSNMHLSIVYQP-UHFFFAOYSA-N 434.470 2.799 0 50 IFAA O=C1N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]12 14743534 SRRLSWNEJMCEEQ-TZIWHRDSSA-N 432.549 2.564 0 50 IFAA COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCCN21 15022205 ZPKGMTPGTKOPNI-QPXQOZNCSA-N 437.883 2.780 0 50 IFAA CC[C@@H](C)C(=O)NCc1nnc2n1CCN(Cc1cc(OC)c(OC)cc1Cl)CC2 20601451 PEDQRNGPPQAVHX-CQSZACIVSA-N 435.956 2.669 0 50 IFAA CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(N)=O 25693162 GHEIPEXVLWLMRH-NHCUHLMSSA-N 436.512 2.632 0 50 IFAA O=C(COC(=O)C1CCC(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1)c1ccc(F)cc1 100619296 RGEOKAQTMSWIIU-YCKHJCPCSA-N 425.456 2.918 0 50 IFAA Oc1cccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)c1 169816836 TUOSUTUAJPRWSC-UHFFFAOYSA-N 443.134 2.770 0 50 IFAA COc1cccc([C@@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c2nccn2C)c1 222054254 KIIVTNBSNHCWPX-NBCNXNJRSA-N 431.558 2.833 0 50 IFAA O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Oc1ccccc1C(=O)Oc1ccccc1 245226315 QJUQTUHYQBIKIC-BQLROHOASA-N 443.455 2.864 0 50 IFAA O=C(c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCN(c2ccccc2F)CC1 263615051 AHOQBXFUGNXTDK-HXUWFJFHSA-N 425.439 2.790 0 50 IFAA O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)N1CCc2[nH]ncc2C1 299771236 URRFXULIULBWRT-QHCPKHFHSA-N 434.521 2.643 0 50 IFAA COc1cccc(C(=O)N2CCC(C(=O)N3CCO[C@H](CO)[C@H]3c3ccccc3)CC2)c1 1529168189 YVRQNQIHLAMXPV-DHIUTWEWSA-N 438.524 2.508 0 50 IFAA Cn1ccn2ncc(C(=O)N3CCCOc4cccc(c4)CC[C@H]4CCCCN4C(=O)C3)c12 1857706720 OLFXVXYVAQQBRU-HXUWFJFHSA-N 449.555 2.911 0 50 IFAA O=C(OCc1ccccc1)N1CCC[C@](O)(Cn2ccnc2I)C1 1875288858 HJYNKQJQNFVQIG-KRWDZBQOSA-N 441.269 2.651 0 50 IFAA Cn1c(=O)c2cc(C(=O)NC3(Cc4ccc(Cl)cc4Cl)CCC3)n(C)c2n(C)c1=O 2325820293 MKVLDSBUWCZFSL-UHFFFAOYSA-N 449.338 2.778 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 1150035 BNCUCBZRKKIIGG-UHFFFAOYSA-N 425.913 2.594 0 50 IFAA COc1ccc(-c2nc3c(c(SCC(=O)N4CCOCC4)n2)COC(C)(C)C3)cc1 2391025 PPUNTEIBFUPKSE-UHFFFAOYSA-N 429.542 2.954 0 50 IFAA O=C1C[C@@](CC(=O)N2CCCC[C@@H]2CO)(c2ccccc2)C(=O)N1Cc1cccs1 11964334 STAHAKFEWOPUFQ-JPYJTQIMSA-N 426.538 2.709 0 50 IFAA COc1cccc(CNCC[C@@H]2CCC(=O)N2C[C@H](c2ccncc2)N2CCOCC2)c1 14882455 LTEFRYWIEIWAPK-LADGPHEKSA-N 438.572 2.634 0 50 IFAA CC[C@H](C)C(=O)NCc1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2 14963810 VESMDOZEWQEYCT-HNNXBMFYSA-N 440.573 2.568 0 50 IFAA COc1ccc(CCN2C[C@H](C(=O)NCc3nncn3C3CCCCC3)CCC2=O)cc1 23478514 JKVIUZSZDWRCAW-LJQANCHMSA-N 439.560 2.889 0 50 IFAA CC[C@H]1CN(CC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)Cc2cc(OC)ccc2O1 299789781 ADTOCOHFBKCQSY-HKUYNNGSSA-N 440.544 2.523 0 50 IFAA CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4ccc(Br)cc4)nn23)C1 820288116 UEVHGFOVOGYZII-NSHDSACASA-N 442.364 2.754 0 50 IFAA Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)[C@H](C)n3cncn3)cc2)cc1 2325726056 BVYXOQLRBIBWEU-IRXDYDNUSA-N 427.530 2.791 0 50 IFAA Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 1051188 COBDRXWZADHTIZ-UHFFFAOYSA-N 445.541 2.722 0 50 IFAA C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1)c1ccccc1 1063148 BSQDQECFHQNRHZ-OAHLLOKOSA-N 438.933 2.617 0 50 IFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(Cc2cccn2-c2ccccn2)CCO3)CC1 11970755 DOBWMLUIWNVFSU-UHFFFAOYSA-N 445.567 2.931 0 50 IFAA CCOC(=O)C[C@H]1COCCN1C(=O)CCc1nnc(CCCCc2ccccc2)o1 11999570 OMOQDXRZZDYZQX-IBGZPJMESA-N 429.517 2.748 0 50 IFAA COc1cccc([C@@]2(CC(=O)N3CCC(OC)CC3)CC(=O)N(C3CCCC3)C2=O)c1 12201733 QRWDQXPFUVSEFM-XMMPIXPASA-N 428.529 2.662 0 50 IFAA COCc1c(C(=O)NCC[C@H]2CCCN2C)cnn1-c1nccc(-c2cccs2)n1 14982343 YDCRZRKRFJAGNR-OAHLLOKOSA-N 426.546 2.751 0 50 IFAA CCOc1cc(CNCCO)cc(Br)c1OCC(=O)NC1CCCCC1 16362073 TUCZGMUHPRAFNO-UHFFFAOYSA-N 429.355 2.757 0 50 IFAA O=C(NCCc1nnc2n1CCN(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccoc1 20448761 YAFKPXPCDATEOI-UHFFFAOYSA-N 433.434 2.921 0 50 IFAA CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)NCc1ccccn1 44803365 SZYQPJZQEIPWQO-UHFFFAOYSA-N 438.553 2.762 0 50 IFAA CC(C)OC(=O)c1cc(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 169296152 XBGRXJILLRDHNG-BDXSIMOUSA-N 433.457 2.634 0 50 IFAA CCOc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1 257372016 GIKDRCKFJJMLFF-SIKLNZKXSA-N 441.576 2.585 0 50 IFAA CN(C)CCNC(=O)[C@@H]1C[C@@H](Sc2nccn2C)CN1Cc1c(F)cccc1Cl 299757045 HVHJYSFFKZLCPE-KDOFPFPSSA-N 439.988 2.626 0 50 IFAA CN(C[C@H]1CCCCN1C)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O 299762057 RALZBRCSGHYPSD-GJZUVCINSA-N 448.567 2.611 0 50 IFAA COc1cccc(Oc2ccc(NC(=O)C3CCN([C@H]4CCS(=O)(=O)C4)CC3)cn2)c1 824788003 UFCPPTMETKCJMT-SFHVURJKSA-N 445.541 2.720 0 50 IFAA CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)NCc1ccc(-n2cncn2)nc1 916394531 YKLNVPWBPQPFOW-UHFFFAOYSA-N 434.479 2.966 0 50 IFAA Cc1cc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)cc2sc(=N)[nH]c12 1857729477 NLFGNAURDMDXIJ-UQNRQAKVSA-N 434.521 2.932 0 50 IFAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCOCC4)cc3n2)cc1OC 721055 GWWZOBANJMBKBL-UHFFFAOYSA-N 436.390 2.905 0 50 IFAA CCOC(=O)c1nn(Cc2ccncc2)c2c1CN(C(=O)c1cccc3nccnc13)CC2 14540146 YNBWTJJQGQWQHP-UHFFFAOYSA-N 442.479 2.645 0 50 IFAA CCCN1CCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(Cc3ccncc3)C2=O)CC1 14999829 UVWRCQJQWDFUAG-AREMUKBSSA-N 448.567 2.531 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 55054375 MXTPXFDSYVGLMR-OAQYLSRUSA-N 429.586 2.812 0 50 IFAA CCCN(Cc1cnc(S(=O)(=O)CCOC)n1Cc1ccccc1)C[C@H]1CCCO1 55091182 JVLQOSZFSKDBTP-OAQYLSRUSA-N 435.590 2.743 0 50 IFAA Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1 65362677 XZCPTZIIYKWVBK-UHFFFAOYSA-N 437.516 2.564 0 50 IFAA COc1cc2c(cc1OC)[C@H](NC(=O)CC[C@H]1NC(=O)N(Cc3ccccc3)C1=O)CC2 886024140 BFGXXNHYDGQUSX-RTBURBONSA-N 437.496 2.708 0 50 IFAA COCCc1nsc(N2CC[C@](c3nc(-c4ccccn4)no3)(C(F)(F)F)C2)n1 952892036 DNOJRTDLMFIOEM-INIZCTEOSA-N 426.424 2.882 0 50 IFAA O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)COCCCn1cc(-c2cnc3ccccc3c2)nn1 1875353644 ASQWNWMOCPHOHU-HSQYWUDLSA-N 449.511 2.754 0 50 IFAA CN(Cc1ccc(-c2cccnc2)c(F)c1)C(=O)C(=O)Nc1cnc2c(c1)C[C@H](N)CC2 2325875267 LMYLXSQQXFRRPO-GOSISDBHSA-N 433.487 2.696 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccc(Cl)cc1 2877832 CAAPTSFIDOAUKW-UHFFFAOYSA-N 439.940 2.590 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccccn3)c(=O)n2[C@@H]1c1ccccc1OC(C)C 6243280 TXABUOHZURGFPX-CNSVBDKNSA-N 449.532 2.590 0 50 IFAA COc1ccc(C(=O)N2CCC([C@]3(CCC(C)C)NC(=O)NC3=O)CC2)c(OC)c1OC 11839357 PCFAGKUIMXKFOB-QHCPKHFHSA-N 447.532 2.579 0 50 IFAA CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N(C)Cc1nc3ccccc3s1)C2 14745386 AGVFDGFCAGBDLZ-INIZCTEOSA-N 439.585 2.974 0 50 IFAA CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc5c(c4)OCO5)CC3)c2c1 20213160 VEVQWUDXIHWKBQ-UHFFFAOYSA-N 449.507 2.840 0 50 IFAA COc1ccc(OC)c2c1CN(C(=O)C1(OCc3ccccc3)CCOCC1)C[C@@H]2O 772653034 GTFCSANMNURQAV-IBGZPJMESA-N 427.497 2.845 0 50 IFAA Cc1ccc(OCC(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCN(c3ccccn3)CC2)cc1 11997880 DOTDDPQKOIDRBH-JOCHJYFZSA-N 448.567 2.746 0 50 IFAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2ccc3ccccc32)cc1 12448605 TUTQWVCKIITDGD-XMMPIXPASA-N 448.567 2.937 0 50 IFAA COc1ccc(C[C@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c(F)c1 14886540 OUYGBIIGIROXTI-KOSHJBKYSA-N 442.487 2.762 0 50 IFAA COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCC(NCCc3ccco3)CC2)cc1 15068347 MDIWMVPLZSOJSW-QHCPKHFHSA-N 439.556 2.787 0 50 IFAA COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 15671291 FBNXOMLJPZNLGP-UHFFFAOYSA-N 445.589 2.603 0 50 IFAA CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC 19894131 JKKTTWYHKIQCJE-UXHICEINSA-N 428.485 2.688 0 50 IFAA COCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cc5ccccc5o4)n3)c2C)CC1 20998804 FEJODTXMFHOENY-UHFFFAOYSA-N 446.511 2.788 0 50 IFAA O=C1NCCN(Cc2cccc(C(F)(F)F)c2)[C@@H]1CC(=O)N1CCOc2ccccc2C1 55383842 WOFGOTOAQBJRRG-LJQANCHMSA-N 447.457 2.817 0 50 IFAA CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 170626261 AWRRCMYRWOYSCI-HNNXBMFYSA-N 438.347 2.578 0 50 IFAA COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)cc(OC)c1 209312328 XVKLSEKTYYXKGR-QUCCMNQESA-N 430.505 2.672 0 50 IFAA C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3C=c3sc4ncnn4c3=O)ccc2O1 254353294 WAFVIPDMKBZXBT-AWEZNQCLSA-N 427.489 2.875 0 50 IFAA O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 334160589 IEYWBEROUPQPII-IFMALSPDSA-N 439.475 2.909 0 50 IFAA O=C(NCc1ccccc1OCCN1CCOCC1)N1CC[C@]2(C1)OCc1ccccc12 472944224 RJZPSSNSIGTZMZ-RUZDIDTESA-N 437.540 2.739 0 50 IFAA CNC(=O)[C@H](NC(=O)c1cc(Br)c(Br)n1C)c1ccccc1 2325699530 XBIUDDIMJPLKKC-GFCCVEGCSA-N 429.112 2.767 0 50 IFAA Cc1cn(-c2ncccc2F)nc1N1C(=O)NC2(CCN(Cc3ccccc3)CC2)C1=O 2325722646 JWGOGNIBSUEVMX-UHFFFAOYSA-N 434.475 2.806 0 50 IFAA CCN(C(=O)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2)c1ccc2[nH]ccc2c1 2325895807 KMHDTHFHQRPUQW-FQEVSTJZSA-N 430.464 2.596 0 50 IFAA COC(=O)c1ccc(NC(=S)N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)cc1 3130771 YIZPDFJTQRVDLE-LLVKDONJSA-N 427.741 2.727 0 50 IFAA CS(=O)(=O)N(CC(=O)NCCSc1ccccn1)c1ccccc1Br 6348555 NHUABDFXYRQHJS-UHFFFAOYSA-N 444.376 2.519 0 50 IFAA O=C(NCc1nnc2n1CCN(C(=O)/C=C/c1cccc(Cl)c1)CC2)c1ccccc1 11838457 UNKXAKCUZJXONT-MDZDMXLPSA-N 435.915 2.960 0 50 IFAA COCc1ccc(C(=O)NCc2nnc3n2CCN(CC[C@@H](C)c2ccccc2)CC3)o1 12244495 XYLAQBSIASZYFA-GOSISDBHSA-N 437.544 2.999 0 50 IFAA COc1cccc(CC2(CO)CCN(S(=O)(=O)c3ccc(OC)cc3OC)CC2)c1 12507433 OJFSSMOJBDJECK-UHFFFAOYSA-N 435.542 2.718 0 50 IFAA CSCC(=O)NCc1c(C)ncc2c1CCN(C(=O)Cc1c(F)cc(F)cc1F)C2 14976723 GUURFCOADUTLFN-UHFFFAOYSA-N 437.487 2.914 0 50 IFAA C[C@H]1CN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)CCN1C 19636907 BALURPGPSSVQFE-FQEVSTJZSA-N 438.620 2.561 0 50 IFAA c1cc2c(cc1CN1CCN([C@@H]3CCCN(Cc4ccc5nonc5c4)C3)CC1)OCO2 19739629 MBPMZHIYLPYXSB-HXUWFJFHSA-N 435.528 2.734 0 50 IFAA CC(C)N1C[C@H](NCc2ccc(F)cc2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 32590346 CBSDAEWCUVJIFS-RTWAWAEBSA-N 427.520 2.854 0 50 IFAA O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H](n2cnnn2)CN1C/C=C/c1ccco1 59367240 WCZMVNSLXIQHJU-BMCBWADJSA-N 446.433 2.930 0 50 IFAA CCOC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100914961 YSXRGUIBWUOMJG-WBVHZDCISA-N 442.269 2.746 0 50 IFAA CCOc1ccc(CC(=O)NCCn2ccn3nc(-c4cccc(OC)c4)cc3c2=O)cc1 169777050 KLJQNUVJIXXSRO-UHFFFAOYSA-N 446.507 2.929 0 50 IFAA CC1(C)O[C@@H]2O[C@H](C(=O)Oc3ccc(Br)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 245225874 WLZITUKKHHQEKY-SRTKAIALSA-N 429.263 2.751 0 50 IFAA CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2c(c1)NC(=O)CCN2C 469899689 LDAHTVOAMNGJRB-UHFFFAOYSA-N 448.445 2.872 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(Cc3cc(=O)n4ccsc4n3)CC1)OCC2 2356153378 DKUYLTFCIISXNI-UHFFFAOYSA-N 427.526 2.837 0 50 IFAA COCCN1C(=O)C[C@](CC(=O)N(C)Cc2ccc(C)cc2)(c2ccccc2OC)C1=O 11787913 UCDOWCAILCJIRB-RUZDIDTESA-N 438.524 2.695 0 50 IFAA C[C@]1(C2CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccncc2)C1=O 12184513 ZWDLXNRPLAJSIU-HSZRJFAPSA-N 442.466 2.652 0 50 IFAA COc1ccccc1[C@]1(CC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)CC(=O)N(C)C1=O 12205437 IHCDOGCRNNKROT-AFMDSPMNSA-N 448.519 2.833 0 50 IFAA Cc1c(CN2C(=O)c3cccc(N4CCC[C@@H](C(=O)N5CCCCC5)C4)c3C2=O)cnn1C 12247647 ODYYUPSJKXKORF-GOSISDBHSA-N 449.555 2.754 0 50 IFAA Cc1cccc(OC2CCN(C(=O)[C@@H]3CCC(=O)N(CCCN4CCCC4=O)C3)CC2)c1 12587623 INCCOXJIIGHMNZ-HXUWFJFHSA-N 441.572 2.616 0 50 IFAA COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)c(OC)c1 12745205 PJDQHTIZSRCNNB-KRWDZBQOSA-N 432.517 2.617 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1Br 19799168 XCCUKTFIZCDVDR-UHFFFAOYSA-N 425.348 2.964 0 50 IFAA O=C(CCN1CCCO1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55243796 RVBLTJPUUQGWFS-FQEVSTJZSA-N 440.510 2.846 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)CC1 55342647 UQSRAPFGTPEXCH-QGZVFWFLSA-N 425.558 2.831 0 50 IFAA CC[C@@H]1CCc2nc(NC(=O)C(=O)N3CCN([C@@H](C)c4cccnc4)CC3)sc2C1 434598675 VISAOYJXLRKUEA-JKSUJKDBSA-N 427.574 2.897 0 50 IFAA CCN1C[C@H](C)[C@@H](NC(=O)c2cc(F)c(-c3cn(CCCCC(=O)O)nn3)cc2F)C1 1875356301 SUSYKUXUDZGMHD-UGSOOPFHSA-N 435.475 2.548 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1cccc(F)c1 1130908 WJQPZEQUXCEMJK-UHFFFAOYSA-N 445.472 2.753 0 50 IFAA Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 9009249 YHOCHZWTUJQPRW-UHFFFAOYSA-N 445.522 2.603 0 50 IFAA CC[C@@H](O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C1CC1 11995180 BZQMIYZNDDSQLW-QGZVFWFLSA-N 433.512 2.815 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H](C)CCn2cccn2)CC1 14952704 AHFNTUYXYVQCKF-SFHVURJKSA-N 430.549 2.590 0 50 IFAA O=C(c1ccc(N2CCCC2=O)cc1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2cccnc2)C1 14985236 XYIFIXUWFSRLLV-IRLDBZIGSA-N 432.524 2.862 0 50 IFAA O=C(c1cn(CCCNCc2ccc(-c3ccc(Cl)cc3)o2)nn1)N1CCOCC1 14990535 DNKYFZMKBLZUCJ-UHFFFAOYSA-N 429.908 2.844 0 50 IFAA Cc1nc(CN2CCN(Cc3ccccc3OC[C@H](O)CN3CCCCC3)CC2)cs1 20995352 FTAINSZJEXFFJS-HSZRJFAPSA-N 444.645 2.995 0 50 IFAA COc1cccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)c1 55053989 DUBBWDINEOLYAE-HXUWFJFHSA-N 433.911 2.537 0 50 IFAA O=C1Nc2ccc(CN3C(=O)CSC3=O)cc2/C1=C/c1cc(CN2CCOCC2)c[nH]1 113422876 AREYWCZYVPSHGS-NVMNQCDNSA-N 438.509 2.535 0 50 IFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN(c2noc(-c3ccccc3)n2)CC1 1857726056 VGNDCTCWXGWINB-UHFFFAOYSA-N 434.500 2.553 0 50 IFAA O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)N[C@H](Cc1ccccc1)C(=O)N1CCCCC1 1875257141 WMLRLHZMGOLPJF-XZOQPEGZSA-N 448.567 2.711 0 50 IFAA COc1ccc(Nc2nc(C(=O)N[C@@](C)(COc3ccccc3)C(N)=O)cs2)cc1 2325850162 NVKFCZNGEXHJJO-NRFANRHFSA-N 426.498 2.948 0 50 IFAA CN(C)c1nc(Oc2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2)nc(N(C)C)n1 1147595 KVLCNGFJNSDBMS-UHFFFAOYSA-N 436.472 2.591 0 50 IFAA COCCN1CCN(C(=O)CN2Cc3cc(C)ccc3O[C@H](c3ccsc3)C2)CC1 11787714 FBUGXEWMDMWCAJ-QFIPXVFZSA-N 429.586 2.783 0 50 IFAA CCOC(=O)c1n[nH]cc1CN1CCC[C@](Cc2cccc(OC)c2)(C(=O)OCC)C1 11819955 HUIBRPVAUOTXTH-HSZRJFAPSA-N 429.517 2.983 0 50 IFAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CN(C)Cc2cccnc2)CC1 12320788 RDWFJAXNMJPTPV-UHFFFAOYSA-N 439.556 2.937 0 50 IFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN([C@H]1CCc3ccccc3C1)CC2 14754600 OFAPYGMOXIPSRS-QHCPKHFHSA-N 448.567 2.884 0 50 IFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(c2nc(C)cnc2C)CC1 15072007 BRDGAKOTUIMJSM-UHFFFAOYSA-N 435.576 2.935 0 50 IFAA CC(C)(C)OC(=O)CCOCCOCCOCCOCCOc1ccc(C=O)cc1 96308255 QVWIJQYADDDNJZ-UHFFFAOYSA-N 426.506 2.676 0 50 IFAA in-vitro COc1ccc(-c2noc(Cn3ccn4nc(-c5cccc(F)c5)c(CO)c4c3=O)n2)cc1 263616259 HUBTVCHUXFVTOT-UHFFFAOYSA-N 447.426 2.901 0 50 IFAA C[C@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1(c2ccccc2)CCCC1 476791663 KFZMUXCGGBRIJK-HTAPYJJXSA-N 427.545 2.619 0 50 IFAA O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCc2c(ncn2-c2ccc(F)cc2)C1 781178661 DHWYJGGWYZOISW-UHFFFAOYSA-N 440.862 2.975 0 50 IFAA O=S1(=O)CC[C@@]2(CCCN(S(=O)(=O)c3cccc(Cl)c3Br)C2)C1 1309504782 CFQLVTGEBMVYNG-CQSZACIVSA-N 442.784 2.692 0 50 IFAA Cc1ccc2c(c1)CCN(S(=O)(=O)c1ccsc1C(=O)NC[C@H]1CCCCN1)C2 1857532593 ZKTSVWQITTURKV-GOSISDBHSA-N 433.599 2.675 0 50 IFAA Cn1cnc2c(NCC3(N4CCN(c5ccccc5)CC4)CCOCC3)nc(Cl)nc21 1875334865 IPQCGMCSCQKTPI-UHFFFAOYSA-N 441.967 2.800 0 50 IFAA C[C@@H]1CC[C@@H](S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 1875355019 XPTSDFWLWQLDQS-RHSMWYFYSA-N 444.395 2.524 0 50 IFAA CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O 4537214 VXEXZNQIPZLQBX-RBUKOAKNSA-N 430.526 2.847 0 50 IFAA CCOC(=O)C[C@H](NC(=O)Cn1nnc(-c2ccccc2Cl)n1)c1ccc(OC)cc1 8583718 SVGYKBQUAYXOFU-SFHVURJKSA-N 443.891 2.813 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1 8855079 ACVLKVNDZSSLPZ-FQEVSTJZSA-N 441.915 2.971 0 50 IFAA CCN1C(=O)C[C@@H](C(=O)OC)C12CCN(C(=O)c1csc(Cc3ccccc3)n1)CC2 11786462 UQQIAYGQAIIZNB-KRWDZBQOSA-N 441.553 2.750 0 50 IFAA O=C(CCc1cnccn1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccc2)C1 14535969 YDBYORCSIIFOQJ-HSZRJFAPSA-N 436.556 2.998 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccc(F)cc1F)C2 14536983 BDXOUJCTLYYZHN-SFHVURJKSA-N 432.515 2.937 0 50 IFAA COCc1c(C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)cnn1-c1ccccc1 467513647 OCLXZTUWDYGRDQ-INIZCTEOSA-N 426.904 2.746 0 50 IFAA O=C1CC[C@H]2CN(C(=O)[C@@H]3CN(Cc4nc(O)c5ccccc5n4)CCO3)c3cccc1c32 468637507 JAXINQPFTWFDDI-BTYIYWSLSA-N 444.491 2.643 0 50 IFAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1ccc2c(c1)nc(O)n2[C@H]1CC[C@H](O)CC1 1704325930 OSVFXKOONZRZPY-ANTGDGSKSA-N 436.512 2.600 0 50 IFAA NC(=O)[C@H](Cc1ccc(O)cc1)Nc1ncnc2sc(I)cc12 1875303322 NMWAYLJCCFSRCE-NSHDSACASA-N 440.266 2.510 0 50 IFAA CC1=C(C(=O)N2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)OCCO1 11665185 PJVLUTUNVXCWBS-UHFFFAOYSA-N 437.496 2.660 0 50 IFAA Cc1nc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cs1 11841495 YDBBZBCDISHXLB-GOSISDBHSA-N 427.574 2.828 0 50 IFAA C[C@@H](Cn1cncn1)NC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11947307 MFKOVKOTNMOEGM-KRWDZBQOSA-N 431.544 2.645 0 50 IFAA CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccccc1-c1ccco1)CC2 11995394 GKBQCBHVPJENBP-NRFANRHFSA-N 443.573 2.843 0 50 IFAA COCC(=O)Nc1cccc(-c2nc(CNC(=O)c3ccc(OC)nc3OC)c(C)o2)c1 12206652 MWJLAJKFBRBOSZ-UHFFFAOYSA-N 440.456 2.577 0 50 IFAA CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)CC1 14962277 QHIBDZIVWYXPQM-MRXNPFEDSA-N 427.471 2.579 0 50 IFAA COc1ccc(Cl)cc1-c1noc(C(=O)NCCNC(=O)c2c(F)cccc2F)n1 20259390 XVPDLRNFIMFNTC-UHFFFAOYSA-N 436.802 2.837 0 50 IFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3cccc4ncccc34)C2=O)cc1OC 206247823 YBMLEWOGNWSUGW-GOSISDBHSA-N 434.452 2.701 0 50 IFAA COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 741372793 JTRXTJUKNGQCNT-ZWKOTPCHSA-N 440.496 2.883 0 50 IFAA Cc1ncc2n1C[C@H](C(=O)NCC[C@H]1CN(c3ncnc4n[nH]cc34)c3ccccc31)CC2 1875288212 SKSLTTKUUYGBBO-DLBZAZTESA-N 442.527 2.862 0 50 IFAA Cc1cncc(CC(=O)N2CC[C@@H]([C@@H]3CCCN3C(=O)Cc3ccc4c[nH]nc4c3)C2)c1 1875359909 SRRYKVLELJMFSE-GGAORHGYSA-N 431.540 2.891 0 50 IFAA Oc1ccc(N2CCN(c3ncc(Cl)c(I)c3F)CC2)cn1 2325863671 SAKRZQMRCULRHM-UHFFFAOYSA-N 434.640 2.906 0 50 IFAA CCOC(=O)c1c(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)sc(C)c1C 2503391 UEVHLXLFYXDWNY-UHFFFAOYSA-N 436.511 2.715 0 50 IFAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)CCc1c(C)noc1C 11843883 HQNHUZFRDMNLCF-QFIPXVFZSA-N 434.625 2.895 0 50 IFAA Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)s1 20600673 JCWJBFIFIDTAIE-QGZVFWFLSA-N 425.558 2.963 0 50 IFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C(C)=O)cc2)C2=C1C(=O)OC2 169758171 HHQJDRBFLUAHAE-QFIPXVFZSA-N 449.463 2.804 0 50 IFAA CCOC(=O)[C@@H]1CC[C@H](C(=O)OCC)N1C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 225773405 QPOCYILDONMHQG-KDURUIRLSA-N 443.500 2.544 0 50 IFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1nc(-c2cccc3ccccc23)ccc1=O 252540581 POBCIAYIWLHKDR-HSZRJFAPSA-N 441.487 2.964 0 50 IFAA O=C(CN1C(=O)CCc2ccccc21)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O 470221236 APDXQLXJIMRNPK-LJQANCHMSA-N 427.451 2.551 0 50 IFAA O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 811563703 HZZWSMUUCZWBMH-SQJKWEIFSA-N 446.544 2.560 0 50 IFAA COc1ccnc(CN2CC3(CCN(Cc4ccc(C)o4)CC3)OCCC2=O)c1OC 1704314378 PLUYPRFTBVVVPT-UHFFFAOYSA-N 429.517 2.784 0 50 IFAA COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1Oc1ccc(CN)cc1F 1857686962 KZUCNYAXIVXNGL-UHFFFAOYSA-N 437.475 2.838 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@H]1CCc2nccn2C1 1875287940 HBDNNXKNUYNLNR-HOTGVXAUSA-N 428.500 2.554 0 50 IFAA O=C(Nc1ccc2nc(O)n(C3CC3)c2c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 1875328230 HBHLILYSTARURW-UHFFFAOYSA-N 440.525 2.560 0 50 IFAA O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1CCCn1ccnc1 1211692 HUESOPCDGXQNLR-UHFFFAOYSA-N 427.464 2.522 0 50 IFAA COc1ccccc1CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 15075494 NLYSDEKDTJPIOX-HSZRJFAPSA-N 431.536 2.898 0 50 IFAA COc1ccc(CCNC(=O)[C@@H]2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)C2)cc1 32104891 USTKYVMXYFKFID-OAHLLOKOSA-N 448.449 2.727 0 50 IFAA CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 252515656 MKLVKBUBLCQRRR-CSMYWGQOSA-N 427.314 2.980 0 50 IFAA Cc1cc(N2CC[C@@H](NC(=O)CCNc3ncc(C(F)(F)F)cc3Cl)C2=O)n(C)n1 464114298 JUKAJJGIAGAAND-CYBMUJFWSA-N 444.845 2.519 0 50 IFAA O=C1CN(C(=O)c2ccc(CNC(=O)Nc3ccc4c5c(cccc35)CC4)cc2)CCN1 499578513 XLFSSBUJXHUVRB-UHFFFAOYSA-N 428.492 2.832 0 50 IFAA CC(=O)Nc1cc(CN[C@H](C)Cc2ccc(F)cc2)cc(C(=O)N2CCN(C)CC2)c1 12219047 VREJSRJTGVXURC-QGZVFWFLSA-N 426.536 2.893 0 50 IFAA Cc1cc(C(=O)N(CC2CCN(C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)nc(N)n1 12761691 XJOKYWGKGNUMEG-QHCPKHFHSA-N 449.599 2.868 0 50 IFAA COc1cccc(CN2CCc3c(c(C(=O)N[C@H](C)c4ccccc4)nn3CCO)C2)c1 14535861 ZAQKEVMYZYGPNL-GOSISDBHSA-N 434.540 2.933 0 50 IFAA COCCNC(=O)c1ccc(OC2CCN([C@H](C)CCC(=O)OC)CC2)c(Cl)c1 14960758 CFTWYYRCGWWZHT-OAHLLOKOSA-N 426.941 2.901 0 50 IFAA Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)cc1Cl 19645425 KZIJJSQZRIZCJO-UHFFFAOYSA-N 446.953 2.791 0 50 IFAA C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccc(F)c1F)CC2 20994607 ZDTBWLNZRHIYHP-MRXNPFEDSA-N 441.482 2.871 0 50 IFAA CCn1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c(C)n1 22919876 QAVHRIWBHXVUSU-QFIPXVFZSA-N 425.577 2.722 0 50 IFAA COc1cc(OC)cc(C(=O)N2CCN(c3ccc(Nc4ccc(C)cn4)nn3)CC2)c1 82230315 CBMWWOZIQOXZIJ-UHFFFAOYSA-N 434.500 2.903 0 50 IFAA Cn1c(=O)ccc2ccc(NS(=O)(=O)c3cc(Br)cc(C(=O)O)c3)cc21 447281357 QMLJYIQKMQNFAF-UHFFFAOYSA-N 437.271 2.800 0 50 IFAA Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)c1cnc(OC2CCCCC2)c(Cl)c1 815896224 XROAGXSBGKFYMM-UHFFFAOYSA-N 426.926 2.916 0 50 IFAA COCCCn1c(C)cc(O)c([C@H](CC(=O)OC)c2coc3ccccc3c2=O)c1=O 824396320 GQLIKZYRDILKPE-MRXNPFEDSA-N 427.453 2.700 0 50 IFAA biogenic O=C(c1cccc2[nH]ccc12)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857734961 AIAOXLWXKFVTOK-UHFFFAOYSA-N 433.512 2.620 0 50 IFAA COc1ccc(CN(C)Cc2cnn(C)c2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12304377 PYXXSYLPQHYICC-QHCPKHFHSA-N 438.572 2.932 0 50 IFAA CC(=O)[C@@H]1CCCN(C(=O)c2coc(CN3CCN(C/C=C/c4ccccc4)CC3)n2)C1 20451488 GCSULZJQLDTZQD-FSNDINTDSA-N 436.556 2.947 0 50 IFAA Cc1ccc(NC(=O)NCc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1Cl 113026414 DOEVCIHTTTYVCC-GOSISDBHSA-N 440.887 2.731 0 50 IFAA in-vitro O=C(C1CCC(n2cc(-c3cn4ccccc4n3)nn2)CC1)N1CC[C@]2(C1)OC[C@@H]1C[C@H]12 1875357191 WMBPHZZJSDXWGB-HEOSKDKESA-N 432.528 2.962 0 50 IFAA COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2Cc2ccc(F)cc2)cc1 1185073 LOCYNMCQPNDDPU-QGZVFWFLSA-N 429.473 2.569 0 50 IFAA O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCCCO 2976134 TVEMLKYOOASETA-UHFFFAOYSA-N 431.341 2.683 0 50 IFAA Cn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 4103812 NJAWNZOEVGQNDR-UHFFFAOYSA-N 431.558 2.776 0 50 IFAA COc1ccc(CCNC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1OC 9301671 UBAZWWASDHTGRZ-UHFFFAOYSA-N 445.566 2.942 0 50 IFAA COc1cccc(CN2C(=O)N[C@@](C)(C3CCN(C(=O)/C=C/C(C)C)CC3)C2=O)c1OC 11782203 RVWFRPDXOIOGKS-GTCGAKFVSA-N 443.544 2.965 0 50 IFAA COc1ccc(CN2CCN(c3ccccc3)C(=O)C2)cc1OC[C@H](O)CN(C)C(C)C 11873062 ZSZVISHQZLECAT-JOCHJYFZSA-N 441.572 2.624 0 50 IFAA COc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c1 11881932 NEQGEYPRCYACMP-GOSISDBHSA-N 435.528 2.601 0 50 IFAA CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1n[nH]c2c1CCC2 11936711 ZKVTXUAVHQQRMM-GOSISDBHSA-N 427.568 2.954 0 50 IFAA O=C1NC(=O)[C@](Cc2ccccc2F)(C2CCN(Cc3ccc4nsnc4c3)CC2)N1 12034397 DPEHACFCYLARGO-QFIPXVFZSA-N 439.516 2.863 0 50 IFAA COc1ccc(CN2CCc3c(c(C(=O)N[C@H](C)c4ccccc4)nn3CCO)C2)cc1 14753923 AWQALYHVYRKNCG-GOSISDBHSA-N 434.540 2.933 0 50 IFAA COc1ccc(CN2CCN(C3CCCC3)CC2)cc1OC[C@H](O)CN1CCCCC1 19758572 HOBXLVHHLJHHCO-HSZRJFAPSA-N 431.621 2.981 0 50 IFAA CC(C)N1CCC(N2CCN(Cc3cn(C)nc3-c3ccccc3)C[C@@H]2CCO)CC1 20598647 LAGQPGVOIFPQRN-DEOSSOPVSA-N 425.621 2.829 0 50 IFAA COc1ccc2ccccc2c1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1 20999148 JOGYJGSVQZWSJH-UHFFFAOYSA-N 442.523 2.823 0 50 IFAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nn2)nc1 72139268 JEDLZIYPJFILFB-UHFFFAOYSA-N 428.493 2.574 0 50 IFAA CCOC(=O)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1c(C)nn(-c2ccccc2)c1C 225668172 FTVYTCPPWLJDCC-AEFFLSMTSA-N 438.450 2.846 0 50 IFAA COc1ccc(N2C(=O)[C@@H](CCC(=O)N[C@@H](c3ccccc3)c3nccn3C)N=C2O)cc1 252508951 XYSLVVZKGZWVOF-CTNGQTDRSA-N 447.495 2.744 0 50 IFAA CN1CCCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)c2cc(F)ccc21 482061449 ACMHFRSJZVEGOS-UHFFFAOYSA-N 425.508 2.523 0 50 IFAA O=C([C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1)N1CCc2c(O)ncnc2C1 1875259275 CTXFZUZOWFWZLF-OAQYLSRUSA-N 430.464 2.835 0 50 IFAA CS(=O)(=O)c1cccc([C@H](NC(=O)C2CCC(NC(N)=O)CC2)c2ccccc2)c1 1875260859 GQGFNNOCRMNWIF-OUNSHVDWSA-N 429.542 2.523 0 50 IFAA Cc1cccnc1C(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)c1ccnc2[nH]ncc12 1875360306 FBZNKOYMCVGSOY-GOSISDBHSA-N 426.480 2.658 0 50 IFAA CC(C)[C@]1(C)C[C@H]1C(=O)N=[S@@]1(=O)CCCN(C(=O)Cc2cn3cc(F)ccc3n2)CC1 2332238721 JKICUOQTCFSGPJ-RYFGPTKPSA-N 448.564 2.925 0 50 IFAA COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc(Br)c1O 706410 KPZLXCIQQVWELB-IAQYHMDHSA-N 441.278 2.513 0 50 IFAA biogenic CS(=O)(=O)N1CCC(C(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)CC1 2805132 QNQARJZLZUJISK-UHFFFAOYSA-N 431.345 2.848 0 50 IFAA COc1cc(/C=C2/N=C(c3ccco3)OC2=O)cc(Br)c1OS(C)(=O)=O 2822353 ATBQEZIALBATAW-YRNVUSSQSA-N 442.243 2.734 0 50 IFAA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccnc4)c(=O)n32)cc1 8835940 QTVJYKHBVBHLOA-SRKIZSPNSA-N 449.532 2.590 0 50 IFAA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)nn1 12123908 REPWLUFHZVFTRU-QGZVFWFLSA-N 431.537 2.623 0 50 IFAA Cc1ccccc1-n1cc(CNCc2c(C(=O)N3CCOCC3)nc3ccccn23)cn1 12203185 OTRZUROOGXQYAA-UHFFFAOYSA-N 430.512 2.591 0 50 IFAA O=C1CCCN1CCCN1C[C@H](OCc2ccccc2)CN(Cc2ccoc2)CC1=O 14742679 BUCJIWMDKKCJLC-JOCHJYFZSA-N 425.529 2.522 0 50 IFAA O=C(NC[C@@H]1OCCc2ccccc21)c1cc(COc2ccc(-n3cncn3)cc2)on1 14975272 GXCASAGGICDNDV-QFIPXVFZSA-N 431.452 2.878 0 50 IFAA Cc1nn(C)cc1CN1CCN(C(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)CC1 20028550 RDHFSIVSOFTPJP-ZDUSSCGKSA-N 432.878 2.811 0 50 IFAA CN(C)CC(=O)Nc1ccc(NC(=O)CC2=NN(c3cccc(Cl)c3)C(=O)C2)cc1 170596627 AWXOKCOFLGFIEV-UHFFFAOYSA-N 427.892 2.962 0 50 IFAA COC(=O)CCc1cncc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 170600369 XRPZIYVBMRSVQH-UHFFFAOYSA-N 431.439 2.956 0 50 IFAA COCCc1cc(Br)cc(Br)c1NC(=O)c1ccc(=O)n(C)n1 170607570 MHVHWTADABREOY-UHFFFAOYSA-N 445.111 2.747 0 50 IFAA O=C(CCc1ccccc1)N1CCN(Cc2nnn3c2CO[C@H](c2ccccc2F)C3)CC1 263616233 HRZSIXUEUJSEDY-DEOSSOPVSA-N 449.530 2.966 0 50 IFAA COc1ccc(C(=O)CCC(=O)N2CCOc3ccc([C@@](C)(O)CN(C)C)cc3C2)cc1 299755561 ABCQJLLFXYVRBC-VWLOTQADSA-N 440.540 2.848 0 50 IFAA COc1ccc(C(=O)Nc2ccc(N3CCC(NCCN4CCOCC4)CC3)cc2)cc1 299765834 CCUXKRDCLXBLBQ-UHFFFAOYSA-N 438.572 2.838 0 50 IFAA COc1ccccc1CC(=O)N1CCC(NC(=O)c2c(C)nn3c(C)cc(C)nc23)CC1 303052041 VQTDLFMLLYJVCC-UHFFFAOYSA-N 435.528 2.627 0 50 IFAA Cc1cnn(C2CCN(C(=O)C(=O)N[C@H](C)c3nc4ccccc4n3C(F)F)CC2)c1 2325706478 YCMMHIJQWYKQAH-CQSZACIVSA-N 430.459 2.977 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1 2993039 OBONBYSHMIXXJH-UHFFFAOYSA-N 425.913 2.594 0 50 IFAA COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(Cc3cc[nH]n3)CC2=O)cc1 14541852 MESMFSITQHDZFD-QFIPXVFZSA-N 438.503 2.987 0 50 IFAA CCN1C(=O)N(CCN(C)C)C(=O)C12CCN([C@H](C)CCc1ccc(OC)cc1)CC2 14741293 JVJYJIDCTUJAST-LJQANCHMSA-N 430.593 2.697 0 50 IFAA CC(C)(C)c1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)cc1 14744388 JCUWRQANKZIEEA-VABKMULXSA-N 435.568 2.758 0 50 IFAA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 20607861 NDXJNZQBUDLXQE-UHFFFAOYSA-N 446.507 2.848 0 50 IFAA Cc1ccn2cc(CNC(=O)N3CCNC(=O)[C@@H]3c3cccc(Br)c3)nc2c1 499094890 GATGMKGGLHCGAB-SFHVURJKSA-N 442.317 2.788 0 50 IFAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(N2CCN(CCO)CC2)CC1 1506409184 GDHAIXUBNZQKPC-UHFFFAOYSA-N 434.890 2.965 0 50 IFAA N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)C2)C1 1775988979 WTOQATJRSBTDGU-VTJXTGGHSA-N 430.499 2.998 0 50 IFAA O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(O)nc2c1 2325702307 CDQSSCMZPDUJKL-KRWDZBQOSA-N 445.454 2.634 0 50 IFAA O=C(CS(=O)(=O)Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 987751 WXYMAPPLEHTDDP-UHFFFAOYSA-N 426.460 2.969 0 50 IFAA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccco4)c(=O)n32)cc1 1165585 HEYRKMUTTYGXLP-SQWSFHKJSA-N 438.505 2.788 0 50 IFAA Cc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N2CCNCC2)cc1 2908896 HEPKJXVWKDXJES-XMHGGMMESA-N 428.330 2.960 0 50 IFAA C[C@@H](NC(=O)C1CCN(C)CC1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2 11813626 VLRRUWPEHSIUNS-OAHLLOKOSA-N 448.974 2.648 0 50 IFAA CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 65363047 OZCBJBKSIDZGKB-UHFFFAOYSA-N 429.468 2.747 0 50 IFAA O=C(NCc1ccc(Cl)cc1)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 169773443 RLFBOXUOQNPKIA-UHFFFAOYSA-N 427.888 2.871 0 50 IFAA COCCn1cc([C@H]2[C@H](C(=O)Nc3cnc(C4CC4)nc3)CC(=O)N2C(C)(C)C)cn1 225455534 GOHXDNLGRBIDMB-MJGOQNOKSA-N 426.521 2.524 0 50 IFAA CC(C)=CC(=O)N1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N([C@H]3CCOC3)C2=O)CC1 299765922 ZOYKSLOISQDFIU-RDPSFJRHSA-N 443.519 2.653 0 50 IFAA C=CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 917565484 KWBKKQAERAVFPI-UHFFFAOYSA-N 433.917 2.611 0 50 IFAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 1875371886 OWYYPFCXNFHMPV-QAPCUYQASA-N 448.361 2.794 0 50 IFAA Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)c1 2325701908 ZLAGDLGDBXKQTC-YADHBBJMSA-N 436.604 2.869 0 50 IFAA O=C(CCNC(=O)c1ccc(F)cc1F)NS(=O)(=O)c1ccc(C(F)(F)F)s1 2325733287 CQDLZHMBXKWBHP-UHFFFAOYSA-N 442.387 2.670 0 50 IFAA O=S(=O)(NCc1ccco1)c1cccc2c(S(=O)(=O)NCc3ccco3)cccc12 841048 YJIHIMAJNMNWIG-UHFFFAOYSA-N 446.506 2.983 0 50 IFAA COc1cccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)c1 889725 XEMDEIUGVMYBJF-UHFFFAOYSA-N 425.510 2.910 0 50 IFAA COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)cc1 1075388 ZIWRJURFOXYZIG-UHFFFAOYSA-N 434.514 2.733 0 50 IFAA CCn1c(CC(=O)Nc2ccccc2OC)nnc1SCC(=O)Nc1nc(C)cs1 2869069 IKHUSXSUQIWEQS-UHFFFAOYSA-N 446.558 2.984 0 50 IFAA O=C(Nc1ccnn1C1CCN(C(=O)CN2CCCCC2)CC1)c1ccc2c(c1)OCO2 11873060 KYBSEQHMLBPDOM-UHFFFAOYSA-N 439.516 2.514 0 50 IFAA Cc1nc(N2CCC[C@@H](C(=O)N3CCCCCC3)C2)nc2cc(S(C)(=O)=O)ccc12 11880962 YBDZBCCWFWGCBF-QGZVFWFLSA-N 430.574 2.961 0 50 IFAA CCOC(=O)CC1(NC(=O)Cn2cc(NC(=O)COc3ccccc3)cn2)CCCCC1 15008520 GNACKIOJMHNLBO-UHFFFAOYSA-N 442.516 2.673 0 50 IFAA c1ccc(-n2ncc3c2ncn2nc(C45C[C@@H]6C[C@H](C4)CC(n4ncnn4)(C6)C5)nc32)cc1 17102203 UBTRKVIBOGIAKP-IWENEADUSA-N 438.499 2.697 0 50 IFAA C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)CCc2cn[nH]c2)C[C@@H](C)O1 19850353 HGZIMRKAUOEESH-GASCZTMLSA-N 430.940 2.635 0 50 IFAA COc1cccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)c1OC 55088665 BHGMHVDMQFOYRW-GOSISDBHSA-N 449.910 2.503 0 50 IFAA COC(=O)C[C@H](c1oc(CN2CCOCC2)cc(=O)c1O)c1c(F)cccc1Cl 218421805 SNJJCLHVNAUSJF-ZDUSSCGKSA-N 425.840 2.665 0 50 IFAA O=C(NCCOc1cncc(Cl)c1)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 328591481 INHIPOCWXRGDND-UHFFFAOYSA-N 438.868 2.812 0 50 IFAA CCN1CCN(C(=O)c2ccc(N3CCC(N4CC[C@H](N(CC)CC)C4)CC3)cc2)CC1 823112945 RXXJIBCAOVUJDZ-VWLOTQADSA-N 441.664 2.849 0 50 IFAA Oc1nc(N2CCOCC2)nc2c1CCC21CCN([C@@H]2CCN(c3ccccc3)C2)CC1 2100545341 PREVRGUAOHZEAP-HXUWFJFHSA-N 435.572 2.578 0 50 IFAA CNC(=O)[C@H]1CCCC[C@H]1NC(=O)N=c1[nH]nc(-c2cccc(Br)c2)s1 2325742321 LNEDLJAMMIOJGD-QWHCGFSZSA-N 438.351 2.816 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@H]3CC(=O)OC34CCCC4)CC1)OCC2 2356159587 IBLHHXOPZBUVEC-GOSISDBHSA-N 429.513 2.970 0 50 IFAA COC(=O)c1sc2cc(NC(=S)N3CCN(S(C)(=O)=O)CC3)ccc2c1Cl 1117413 ITVFFHFBKKZKPM-UHFFFAOYSA-N 447.991 2.615 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1cccs1 8443640 ZCDRLYKQKVPDRA-FYXHJSOBSA-N 426.519 2.565 0 50 IFAA COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)N[C@@H](CCSC)C(=O)O)cc1 8666474 KUVSQUVCMQLLFT-OWBBTNHHSA-N 428.510 2.789 0 50 IFAA biogenic O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)NCc1csc(Cc2ccccc2)n1 11843716 NSDJHTXJIMJHDG-QFIPXVFZSA-N 448.592 2.783 0 50 IFAA COc1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1OC 13372591 OKIJXRJWFMQZJO-ISHFTEKXSA-N 436.501 2.647 0 50 IFAA CCN(CC)C(=O)c1cn(C2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)nn1 14879273 ZVZXLCVLLXNMEB-UHFFFAOYSA-N 431.537 2.623 0 50 IFAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)CCc1cccc(OC)c1)C2 14886755 LHKFIZOALNIXBU-UHFFFAOYSA-N 445.585 2.746 0 50 IFAA CCN1CCN(C(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 16347267 PKYSNDYYFOPHLI-GOSISDBHSA-N 431.558 2.798 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2cccc(CS(=O)(=O)c3ccc(C)cc3)c2)CC1 16488288 SNGXVRGHHWILNU-UHFFFAOYSA-N 430.526 2.883 0 50 IFAA CN1CCN(C(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)CC1 20472336 OMMQEUNJLVFQHR-UHFFFAOYSA-N 445.629 2.694 0 50 IFAA Cc1nc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc(-n2cnc(C)c2C)n1 72437513 FZUFGXWTZGXMFF-UHFFFAOYSA-N 429.528 2.960 0 50 IFAA CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 776570564 CKNSCGXWELZINO-MRXNPFEDSA-N 430.530 2.919 0 50 IFAA Cc1cc(C)[nH]c(=NCc2cccc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)c2)n1 1875258093 SWKXECYAXJLGIN-QFIPXVFZSA-N 449.555 2.832 0 50 IFAA O=C(COC(=O)c1cccc(N=c2cncc[nH]2)c1)Nc1cc(Cl)ccc1-n1cncn1 1875259793 KYZAIAYMNIIWJP-UHFFFAOYSA-N 449.858 2.672 0 50 IFAA O=C1CCc2cc([C@H](O)CCC(=O)N3CC[C@](O)(Cc4cccc(F)c4)C3)ccc2N1 1875262116 HAGLUCALBQSLAH-QPPBQGQZSA-N 426.488 2.730 0 50 IFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCCc2nc3cccc(C)c3[nH]2)c1=O 12246570 NUJHQEJHALUEDY-UHFFFAOYSA-N 435.528 2.870 0 50 IFAA CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N3CCc4ccccc4C3)cc1O2 12391051 SSHMBHLQQNOWEB-UHFFFAOYSA-N 448.519 2.997 0 50 IFAA CC(C)=CCNc1cc(C(=O)N(C)Cc2nonc2C)cc(S(=O)(=O)NC(C)C)c1 14748212 USSVOKARTNNQML-UHFFFAOYSA-N 435.550 2.715 0 50 IFAA CCN1C(=O)C[C@@](CC(=O)N2CCC(COC)CC2)(c2cccc(C(F)(F)F)c2)C1=O 14878852 MEJQGOSIALTBGG-NRFANRHFSA-N 440.462 2.997 0 50 IFAA COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)O 16361808 FFMNAOPHTPQKJW-LJQANCHMSA-N 427.482 2.590 0 50 IFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 21795686 AHSBEZJVPLAYFZ-UHFFFAOYSA-N 429.956 2.544 0 50 IFAA O=c1c2ccccc2nc(O)n1C[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)CC1 238899984 HMVYQOABRBKVBN-OPMHRUBESA-N 441.528 2.916 0 50 IFAA COCCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCO2)C[C@@H]1C 252503485 VDKDZQUEIAPUKF-UNMCSNQZSA-N 443.592 2.810 0 50 IFAA O=C1CO[C@@H](CNc2ccc(C(F)(F)F)cn2)CN1CC1CCN(CC2CC2)CC1 299794713 MQDBSEBJBOGVQE-SFHVURJKSA-N 426.483 2.862 0 50 IFAA NC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)n2c(O)nc3ccccc3c2=O)cc1 888089611 RYNQQVCRQMOOBG-HXUWFJFHSA-N 428.448 2.624 0 50 IFAA O=C(N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1)C1(c2ccccc2)CC1 1857723901 BLXPVLNRNMFPDK-UHFFFAOYSA-N 434.540 2.557 0 50 IFAA O=c1c(-c2noc([C@@H]3CCCN(S(=O)(=O)Cc4ccccc4)C3)n2)cccn1C1CC1 1875345705 GUJCDZNGUMRPEU-QGZVFWFLSA-N 440.525 2.943 0 50 IFAA Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)[C@H](C)n3cncn3)cc2)cc1 2325726057 BVYXOQLRBIBWEU-SJORKVTESA-N 427.530 2.791 0 50 IFAA NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 2134727 UCVTUFJBKIRJLF-UHFFFAOYSA-N 446.510 2.779 0 50 IFAA Cc1cc2ccccc2n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc12 2502423 RFRDIXNAXZJKHJ-UHFFFAOYSA-N 427.511 2.569 0 50 IFAA Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1 15671295 KSEZMJZHRXAQNR-UHFFFAOYSA-N 435.981 2.940 0 50 IFAA CC(C)c1cc(C(=O)N2CCC([C@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)[nH]n1 19837355 VKTYEMLYRFESKZ-VWLOTQADSA-N 449.555 2.863 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3ccccc3F)cc2OC)CC1 20452852 SEJNYRYHFKKOGN-NRFANRHFSA-N 431.552 2.501 0 50 IFAA CCCN(Cc1cnc(S(=O)(=O)CCOC)n1Cc1ccccc1)C[C@@H]1CCCO1 55091180 JVLQOSZFSKDBTP-NRFANRHFSA-N 435.590 2.743 0 50 IFAA COc1ccc([C@@H](CC(=O)NCC(=O)Nc2ccccn2)c2cc3c(cc2O)OCO3)cc1 824655254 YQQVDUNGPFWLNG-QGZVFWFLSA-N 449.463 2.801 0 50 IFAA biogenic CCn1cc(CNC(=O)[C@@]2(Cc3cscn3)C[C@H]3CC[C@@H]2N3C2CCOCC2)c(C)n1 1704309621 ZLYPTJNXSZVURI-GIWBLDEGSA-N 443.617 2.929 0 50 IFAA COc1cccc(CO[C@@H](C)C(=O)Nc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c1 1875254574 JUWYPOLDZFEMCU-FXAWDEMLSA-N 425.529 2.936 0 50 IFAA O=C(OCc1ccccc1)N1CCC[C@@](O)(Cn2cc(I)cn2)C1 1875289175 WCZWQWJAQCOZRZ-KRWDZBQOSA-N 441.269 2.651 0 50 IFAA O=C(N[C@H]1CCCN(C(=O)c2c[nH]nc2C2CCCCC2)C1)[C@@H]1CCC2(CCOCC2)O1 2325829962 XCAUQWDWKFARRE-ICSRJNTNSA-N 444.576 2.906 0 50 IFAA C[C@H](NC(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O)C(C)(C)c1ccccc1 2325886623 CTQKFHYBURZLRL-YWZLYKJASA-N 433.508 2.544 0 50 IFAA CC1(C)CCC[C@H]1COC(=O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325886901 NECDKLRCNFRWJS-FUHWJXTLSA-N 427.501 2.500 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(C(=O)N4CC5(CCC5)c5ccccc54)ccc3C2=O)C(=O)N1 2325896177 SKPNTWXZWIXGBH-HXUWFJFHSA-N 429.476 2.530 0 50 IFAA CCn1cc(NS(=O)(=O)c2ccc(Br)s2)c(C(=O)NCC(C)C)n1 2804595 YEBCUDKIVSDBNX-UHFFFAOYSA-N 435.369 2.914 0 50 IFAA COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(CNCCc2ccccc2C)c1 12714518 YRIKCBZFGBBPHC-HSZRJFAPSA-N 428.573 2.532 0 50 IFAA COc1cccc(CCN[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 14752178 UGZQLSCNWWXCAS-FQEVSTJZSA-N 440.588 2.710 0 50 IFAA COCCOC(=O)C1=C(C)N=c2sc(=Cc3cccs3)c(=O)n2[C@H]1c1cccs1 254387302 SFBGHANYRHUWLH-KRWDZBQOSA-N 446.575 2.548 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3oc(N(C)C)nc3c2)cc1 1875354694 LVYLOMQWEGSZRC-SFHVURJKSA-N 444.513 2.694 0 50 IFAA O=C(C1CCS(=O)(=O)CC1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 2356144863 PGVFADBXAQCFTH-QHCPKHFHSA-N 425.554 2.775 0 50 IFAA CCOC(=O)O[C@@H](C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21 597588 LSNWBKACGXCGAJ-ZDUSSCGKSA-N 447.469 2.559 0 50 IFAA biogenic,world Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)n1 673309 UWOZGSIZJHLLGJ-UHFFFAOYSA-N 436.490 2.834 0 50 IFAA COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 1131656 HJPRKIYSBFPLJI-SXGWCWSVSA-N 426.450 2.572 0 50 IFAA Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)c1 1161382 QPWBNASRBFQENL-YVLHZVERSA-N 425.466 2.534 0 50 IFAA CCN1C(=O)/C(=c2/sc3nc4ccccc4n3c2=O)c2cc(Br)ccc21 2841767 FIGNBQFATMSXJB-FOCLMDBBSA-N 426.295 2.956 0 50 IFAA COc1ccc(CN2C[C@H](OCc3cccnc3)CN(C(=O)c3ccco3)CC2=O)cc1 14541528 RIQGDNKPEZXOBS-NRFANRHFSA-N 435.480 2.753 0 50 IFAA O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20356875 JEKXJNHMXUCZOZ-UHFFFAOYSA-N 432.480 2.516 0 50 IFAA CSCC[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1 206246060 CMBBQQLZOLKERP-QZTJIDSGSA-N 437.525 2.614 0 50 IFAA Cc1cccc(-c2[nH]ncc2CN[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 237785251 YXTVXMWTGQNZIX-OAQYLSRUSA-N 433.560 2.770 0 50 IFAA COCCC(=O)Nc1cc(I)cc(I)c1 239882345 DBGZFHZBQOBWPH-UHFFFAOYSA-N 431.011 2.871 0 50 IFAA NS(=O)(=O)c1ccc(-n2nc(C3CC3)nc2CCc2cncc(Br)c2)cc1 1875347990 DVUWBMBKDBKBCT-UHFFFAOYSA-N 448.346 2.735 0 50 IFAA Cc1cc(-c2cn([C@@H]3CCCN(C(=O)c4cccc(-c5nc(=O)o[nH]5)c4)C3)nn2)cnc1F 1875361550 VGDFAHXHQICFKK-QGZVFWFLSA-N 449.446 2.608 0 50 IFAA C=CC(=O)N1CCCc2cc(C(=O)Nc3cnn(C)c3I)ccc21 2325786982 QSHVICCYKQQBHK-UHFFFAOYSA-N 436.253 2.742 0 50 IFAA CCOc1ncc(C(=O)N=[S@]2(=O)CCCN(C(=O)CC(C)(C)OC)CC2)cc1Cl 2332238550 BYFQMRDFJSDZNC-LJAQVGFWSA-N 445.969 2.789 0 50 IFAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1OC 725847 HVRACJDTTLMEBS-UHFFFAOYSA-N 428.470 2.855 0 50 IFAA COCCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 2985999 ZLFQRFYIJKNCRH-UHFFFAOYSA-N 426.922 2.697 0 50 IFAA O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 2995041 BJEIBGNGVVRHGB-GOSISDBHSA-N 440.924 2.965 0 50 IFAA O=C(C[S@](=O)Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1 3781682 KMZQAVXSMUKBPD-FCRIZLRQSA-N 431.558 2.661 0 50 IFAA investigational O=C(NCCc1cccc(Cl)c1)[C@@H]1C[C@@H](n2cnnn2)CN1Cc1ccccc1F 14884646 QHLXXSCAPNCQIU-QUCCMNQESA-N 428.899 2.640 0 50 IFAA CCN1CCN(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(OC)cc2)CC1 19835737 QYGBFBQFKJRWHE-OAQYLSRUSA-N 425.577 2.648 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1cccc(OC)c1 22135384 LPMMYYDDMCJFRW-GTVARFKMSA-N 440.546 2.868 0 50 IFAA COc1cccc2c1OC(=O)[C@@H]1[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@@H]2[C@H]43)[C@@H]1C(=O)O 169694495 LETQKJKEXLWDSX-CLGWRCDHSA-N 431.491 2.553 0 50 IFAA Cc1nc(-c2ccc(F)cc2)n(Cc2cc(=O)n3cc(Cl)ccc3n2)c(=O)c1CCO 169754343 SISHKEGJZYEPLB-UHFFFAOYSA-N 440.862 2.602 0 50 IFAA COc1ccc(C2=NO[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6ccc(OC(C)=O)cc6)C(=O)[C@@H]45)[C@H]23)cc1 245257394 ZGOYGPMYIGGZBU-OUHFAEGLSA-N 446.459 2.795 0 50 IFAA CC(C)CCn1c(CN2CCCN(S(=O)(=O)N3CCCC3)CC2)nc2ccccc21 821181926 POIJDLXSUIKQJP-UHFFFAOYSA-N 433.622 2.931 0 50 IFAA COc1ccc([C@H](CC(=O)NCCc2ccccn2)c2c(O)n3ccccc3nc2=O)cc1 1776111607 GUPMEGACRSZACW-FQEVSTJZSA-N 444.491 2.685 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCOc2ccc(F)cc2)C1 1857685233 FDFPVVZOIMEZDX-NHCICSSKSA-N 433.568 2.534 0 50 IFAA O=S1(=O)CCC(N2CCC(n3ccnc3-c3ccnn3-c3ccccc3)CC2)CC1 1875249500 XFVSEXGMMIHFDM-UHFFFAOYSA-N 425.558 2.950 0 50 IFAA O=C1CCc2cc([C@H](O)CCC(=O)N3CC[C@@](O)(Cc4cccc(F)c4)C3)ccc2N1 1875262119 HAGLUCALBQSLAH-ZJSXRUAMSA-N 426.488 2.730 0 50 IFAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)C2CC(c3ccccc3)C2)CC1=O 2325819923 VCCAIGUDQNUHKQ-ZEXAPNKDSA-N 426.538 2.988 0 50 IFAA CCNC(=O)C[C@@H]1C(=O)N(c2ccc(C)cc2)C(=O)N1Cc1ccc(OC)c(OC)c1 1127950 XGEAEVRDBDLDAH-GOSISDBHSA-N 425.485 2.876 0 50 IFAA NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 2859203 SQMWDEALQVCFBG-UHFFFAOYSA-N 444.504 2.872 0 50 IFAA COc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)c(OC)c1 2979775 BBKWQDALSLKBCZ-UHFFFAOYSA-N 438.571 2.519 0 50 IFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(C)C[C@H](O)c2ccccc2)c1 12372766 IFJLVYCSDJMJGL-QFIPXVFZSA-N 426.513 2.891 0 50 IFAA C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)O)COC1(C)C 14632679 QMRGOZHWQFEGGB-XOBRGWDASA-N 438.480 2.962 0 50 IFAA O=C(O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 136206619 RVSOKZITIXHEOI-RFCWUQKJSA-N 443.091 2.667 0 50 IFAA O=C(NC[C@H]1COc2ccccc2O1)c1ccc2[nH]nc(I)c2c1 2325854120 OOVAETBDVSOJFM-NSHDSACASA-N 435.221 2.737 0 50 IFAA O=C1CC[C@H](N2Cc3ccc(CNC(=O)Nc4cccc5ccccc45)cc3C2=O)C(=O)N1 2325887006 QBVUEGXMODTNNV-NRFANRHFSA-N 442.475 2.923 0 50 IFAA O=C1CC[C@@H](N2Cc3ccc(NC(=O)CCc4cc5ccccc5o4)cc3C2=O)C(=O)N1 2325896407 XZMKTHKYHKZVAX-LJQANCHMSA-N 431.448 2.765 0 50 IFAA O=C1S/C(=C/c2ccccc2F)C(=O)N1CCNC1=NS(=O)(=O)c2ccccc21 977602 YOUWTESXHCRIJV-RVDMUPIBSA-N 431.470 2.601 0 50 IFAA COC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 12149682 USDNIOXSVMPXSC-GJZUVCINSA-N 449.551 2.739 0 50 IFAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 12379836 LRHOREJRTCMJCN-QDMVCWPOSA-N 447.443 2.619 0 50 IFAA COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2ccc(=O)n(C)n2)CC1 12709758 XYPXWCMBAHASRF-UHFFFAOYSA-N 426.561 2.799 0 50 IFAA COc1ccccc1NC(=O)COc1ccc(Br)c(/C=C2\NC(=O)NC2=O)c1 13915182 RQPLXADKUWOORI-DHDCSXOGSA-N 446.257 2.656 0 50 IFAA COC(=O)c1c(NC(=O)COc2ccccc2)c2cc(N[C@H](C)CCO)cnc2n1C 14538985 SZDFAIRBTBUSDF-CQSZACIVSA-N 426.473 2.560 0 50 IFAA CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)N2CCN(C3CCCC3)CC2)c1=O 14882366 IIZXGVNGIOKGQT-UHFFFAOYSA-N 444.620 2.981 0 50 IFAA COCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)o1 20781592 QUOOFWWZHAAVTL-SFHVURJKSA-N 437.544 2.886 0 50 IFAA CCN1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2COC)CC1 55393329 WODQCQBWEOSQHZ-UHFFFAOYSA-N 426.546 2.623 0 50 IFAA Cc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nc(N2CCCCC2)n1 65364580 RROYBTDKRFIRAY-UHFFFAOYSA-N 429.590 2.903 0 50 IFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)Nc2ccc(OC)cc2)C2=C1C(=O)OC2 169780821 CFTPKLTUOVJJBZ-OAQYLSRUSA-N 437.452 2.610 0 50 IFAA Cc1cc(=O)c(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)nn1-c1ccccc1C(F)(F)F 1875264684 YAMMCFNDYRNTCS-NRFANRHFSA-N 448.445 2.644 0 50 IFAA Cc1nc(O)cc(C(=O)N2CC[C@H]([C@@H]3CCCN3C(=O)c3cc(O)c4ccoc4c3)C2)n1 1875361583 WBBDOIQTKKXRJL-KSSFIOAISA-N 436.468 2.709 0 50 IFAA O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1 1059480 QQXUXJPOZYBWBX-SFHVURJKSA-N 431.533 2.575 0 50 IFAA CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)S(C)(=O)=O 1148665 RHCPAZKLJRYCGD-UHFFFAOYSA-N 447.557 2.876 0 50 IFAA CCN(CC)S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1ccccc1)C2 12452465 FTVWFZIYJLACDQ-UHFFFAOYSA-N 436.555 2.764 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 13619197 VTUFWDOPVSSWRE-FQEVSTJZSA-N 446.525 2.518 0 50 IFAA CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)CCN1CCCCO1 14961398 TTXRMXLUZCZXSI-NRFANRHFSA-N 434.600 2.845 0 50 IFAA CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3C)cc2C[C@H]1C 15936377 QKPIHWINKRFSSN-CQSZACIVSA-N 433.505 2.739 0 50 IFAA CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCC(N2CCN(CC)CC2)CC1 19300706 GZRIWHOAMHOTIJ-UHFFFAOYSA-N 440.636 2.808 0 50 IFAA CN(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2C(F)(F)F)C2COC2)c1 170607536 FBACUMQJNWNDFD-UHFFFAOYSA-N 442.459 2.997 0 50 IFAA COc1cccc(C[C@@H](C(=O)Nc2ccc(N3CCOCC3)c(C)c2)n2nnnc2C)c1 225573627 BIWRZTMPTOOQMU-QFIPXVFZSA-N 436.516 2.558 0 50 IFAA CCOC(=O)c1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)CC2=O)cc1 253412406 QXTHXPYIMNKLNG-IRFCIJBXSA-N 427.545 2.597 0 50 IFAA biogenic Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N(CCO)Cc3ccc(Cl)cc3)C2=O)c1 1875262595 ANGNOQOTNIVHFM-IBGZPJMESA-N 429.904 2.875 0 50 IFAA Cc1c(NC(=O)c2cn(-c3cccnc3)nc2C2CCOCC2)nnn1Cc1ccncc1 1875268238 SKTANGUCBGDIOD-UHFFFAOYSA-N 444.499 2.757 0 50 IFAA C[C@@H]1Cc2ccccc2[C@@H](C)N1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325901583 MGGBFSNPQDWMNY-PZPWOCDFSA-N 431.492 2.596 0 50 IFAA C[C@@H]1C[C@H]1C(=O)N[C@H]1CCOC2(CCS(=O)(=NC(=O)Cc3ccc(F)cc3)CC2)C1 2332238238 ITJJIESRIHZJCU-WAHXCJEMSA-N 436.549 2.847 0 50 IFAA O=C(O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 821728 AWDFOJFFZDKVDA-GOSISDBHSA-N 447.413 2.858 0 50 IFAA C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1)c1ccccc1 1063147 BSQDQECFHQNRHZ-HNNXBMFYSA-N 438.933 2.617 0 50 IFAA CCOc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2)cc1OCC 1080191 UWICAETZQUOGKT-UHFFFAOYSA-N 427.530 2.911 0 50 IFAA COc1ccc(CC[C@@H](C)N2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1 14976619 FGAORUZLVMDWQM-LJQANCHMSA-N 448.571 2.534 0 50 IFAA CCOCc1cc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)ccc1OC 19791298 AUHAXFYKRALMLY-DEOSSOPVSA-N 433.637 2.973 0 50 IFAA CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 59759773 XTBKMIPXCVFPRS-UHFFFAOYSA-N 438.594 2.829 0 50 IFAA COC(=O)C[C@H](c1c(O)n2ccccc2nc1=O)c1coc2ccc(Cl)cc2c1=O 205974148 HCQFFJQBMXKLOP-LBPRGKRZSA-N 426.812 2.855 0 50 IFAA O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)N1CC[C@@]2(C1)OCc1ccccc12 474434521 RBOQJBSNJYESFO-DEOSSOPVSA-N 432.455 2.817 0 50 IFAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3nnc(CCN(C)C)s3)cs2)n1 1529161624 NEJMXLZURREZNB-UHFFFAOYSA-N 431.469 2.864 0 50 IFAA CC(C)(C)c1nnc2ccc(N3CCCN(c4ccc5nnc(C(C)(C)C)n5n4)CC3)nn12 2325741030 AMQLHEHUUXQADU-UHFFFAOYSA-N 448.579 2.874 0 50 IFAA Fc1cccc(CN(CCN2CCOCC2)c2nc(Cl)nc(N3CCCCC3)n2)c1 2325809447 KGCHNAAAXRNGNM-UHFFFAOYSA-N 434.947 2.993 0 50 IFAA O=C1C[C@H](c2ccccc2)NCCCN(C(=O)c2ccccc2-n2cncn2)CCCCN1 2356161318 PJJZUHQNKRTFND-JOCHJYFZSA-N 446.555 2.731 0 50 IFAA O=C(COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1 834843 BSZHENVBFWUMKI-KRWDZBQOSA-N 437.901 2.837 0 50 IFAA COc1cccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cc(C)cc(C)c2)c1 9060353 NKQRZGKABKWBCT-UHFFFAOYSA-N 429.480 2.968 0 50 IFAA O=C1C[C@@](CC(=O)N2CCCC[C@H]2CO)(c2ccccc2)C(=O)N1Cc1cccs1 11964332 STAHAKFEWOPUFQ-MBSDFSHPSA-N 426.538 2.709 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1cc(Cl)ccc1Cl 13566576 ZFYWGWDCHLNZPL-UHFFFAOYSA-N 428.297 2.745 0 50 IFAA O=C(CCc1cccnc1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 14733761 IWDHBRHFJSELOQ-HSZRJFAPSA-N 436.556 2.998 0 50 IFAA CN(CCO)C(=O)c1cn(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)nn1 14880767 GCCIUFQLNHKDFR-UHFFFAOYSA-N 435.528 2.972 0 50 IFAA COc1ccc(CNC(=O)c2cn(C(C)C)cc(C(=O)NC(C)(C)C)c2=O)cc1OC 14977026 ZTKUZYZCFDZAAI-UHFFFAOYSA-N 429.517 2.905 0 50 IFAA O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 17099435 QMEVLZMLUIXJHL-UHFFFAOYSA-N 435.354 2.689 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)NCc2cc(F)ccc2C)(c2ccccc2)C1=O 19839777 QARAIXAICGBGKK-XMMPIXPASA-N 426.488 2.874 0 50 IFAA CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)[C@H]2CC(=O)c3ccccc32)CC1=O 20601608 ULRYMSHGXPSSAG-KNQAVFIVSA-N 435.524 2.664 0 50 IFAA Cc1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc(N2CCCCC2)n1 65363033 DLTHTUQHKLHRFA-UHFFFAOYSA-N 435.981 2.940 0 50 IFAA COc1cc(NC(=O)N2CCN(c3cc(-n4cnc(C)c4C)ncn3)CC2)cc(OC)c1 72437090 DQWOJYRUAQVHIS-UHFFFAOYSA-N 437.504 2.650 0 50 IFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(OC)c4OC)ccn3n2)cc1 169775843 PSXDZEKBKFGVHQ-UHFFFAOYSA-N 448.479 2.619 0 50 IFAA CCOC(=O)c1sc2nc(-c3cc(Br)c(C)n(C)c3=O)[nH]c(=O)c2c1C 170596406 QXXMXKCYDMDSTR-UHFFFAOYSA-N 438.303 2.906 0 50 IFAA CC(C)C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248292462 USYYELKQQXPAGF-NJDAHSKKSA-N 427.520 2.840 0 50 IFAA CC[C@@](O)(C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)c1cccc(Cl)c1 800401314 JFCBVCMUYHHSHJ-QHCPKHFHSA-N 446.931 2.939 0 50 IFAA O=C(c1coc(O)n1)N1C[C@H]2CC[C@H]1[C@@H](N=c1[nH]c(-c3cccnc3)nc3ccccc13)C2 1875389199 GHQUJMJGAINJGO-DCPHZVHLSA-N 442.479 2.913 0 50 IFAA COc1cc(F)ccc1CN1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100534272 AGXUZIAEZVKXAJ-UHFFFAOYSA-N 428.508 2.647 0 50 IFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCN(C)CC2)[C@@H]1c1ccc2c(c1)OCO2 1072576 ADIWITQQNGFPAX-JOCHJYFZSA-N 442.512 2.851 0 50 IFAA O=C(c1ccco1)N1CCN(C(=O)c2ccc(C[S@@](=O)c3ccc(F)cc3)o2)CC1 9115770 VXMUTHREXWTYNY-PMERELPUSA-N 430.457 2.918 0 50 IFAA CCN(CC)[C@@H]1CCN(C(=O)c2cn(CCC(C)C)cc(C(=O)NCC(C)C)c2=O)C1 12035092 MEJWVUYDEFSKDA-LJQANCHMSA-N 432.609 2.837 0 50 IFAA CC[C@H](C)[C@H](NC(=O)C1CCN(c2nc(C)c3ccc(OC)cc3n2)CC1)C(=O)OC 12206900 QESOHJFJUVJNQH-XOBRGWDASA-N 428.533 2.867 0 50 IFAA CC[C@H](C)C(=O)Nc1c(C(=O)OC)n(C[C@H]2CCCO2)c2ncc(N[C@@H](C)CO)cc12 14749414 VEEDIMUKVLRSTN-OFQRWUPVSA-N 432.521 2.779 0 50 IFAA O=C(c1nc2sccn2c1CN1CCN(c2ncccn2)CC1)N1CCCCCCC1 19112701 XAABGOWIFDPJOE-UHFFFAOYSA-N 439.589 2.914 0 50 IFAA Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c(C)c1 19891139 KYJRGMDCAKWGPR-UHFFFAOYSA-N 447.543 2.861 0 50 IFAA CCN1CCN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)CC1 20362836 ZIYRGMJANITKLX-UHFFFAOYSA-N 429.586 2.971 0 50 IFAA CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 36254132 ZRNTWXILUKJHHQ-UHFFFAOYSA-N 431.558 2.647 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCc1c(F)cccc1F 55036018 KCAKVMKQUFUDOA-SFHVURJKSA-N 441.400 2.991 0 50 IFAA O=C(CN1CCn2cccc2[C@H]1c1ccccc1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 240900715 ITKSIONSXRUPDD-XUZZJYLKSA-N 441.597 2.851 0 50 IFAA CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CS(C)(=O)=O)o2)[C@H](c2cccnc2)C1 241126025 JIZQRJJVSCXRAT-KRWDZBQOSA-N 449.529 2.653 0 50 IFAA FC(F)(F)c1ccc([C@@H](CNc2cc(N3CCOCC3)ncn2)N2CCOCC2)cc1 302874743 DNNYFSNJVDHECI-GOSISDBHSA-N 437.466 2.817 0 50 IFAA CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 440923266 IUQVQYFGYBIFKF-IBGZPJMESA-N 448.585 2.650 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)N2CC(Oc3ccc(F)cc3)C2)C1 1857686867 GASXAXNGTVPADU-FZOAFFARSA-N 445.579 2.628 0 50 IFAA O=C(Cc1cc2c(cc1Cl)OCCO2)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1857737198 ATLPFCYWJFUPHR-UYAOXDASSA-N 428.916 2.938 0 50 IFAA Cc1cn2c(n1)C[C@@H](C(=O)NCC[C@@H]1CN(c3ncnc4n[nH]cc34)c3ccccc31)CC2 1875287811 AKRITRPICKZASD-DLBZAZTESA-N 442.527 2.862 0 50 IFAA CN(C(=O)c1cnc([C@@H]2CCCO2)s1)C1CC(NC(=O)[C@@]2(C)CC(C3CC3)=NO2)C1 2325829455 KMVLEQDRTQDSTC-AFUIGEKHSA-N 432.546 2.659 0 50 IFAA COc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 675719 IZRCMSBVRAMQGB-UHFFFAOYSA-N 433.555 2.535 0 50 IFAA COc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1OC 824333 SYPRUENJKCFKOO-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA COC(=O)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1CC(=O)OC 1190518 BALMYVGNQNQEBO-UHFFFAOYSA-N 432.469 2.743 0 50 IFAA COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 15746075 IFUBMOYZFKIIIE-IAERKFLBSA-N 434.448 2.871 0 50 IFAA Cc1cn2nc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c(=O)[nH]1 206645490 VBUJEPQPHWITBZ-UHFFFAOYSA-N 427.508 2.878 0 50 IFAA COC(=O)C[C@](C)(NCC(=O)NCCOc1ccc(Cl)cc1)c1cccc(OC)c1 225571403 OBIHNHVAZMOTHF-QFIPXVFZSA-N 434.920 2.912 0 50 IFAA COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(C)=O)c2O)ccc1Br 328596161 VMAMCYKUUIXWJW-UHFFFAOYSA-N 428.260 2.945 0 50 IFAA Cc1ccc(N2CCC[C@H]2COC(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)nn1 748863237 BLOIAHNBZBCYBF-IBGZPJMESA-N 435.532 2.749 0 50 IFAA CCc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)CCO2 1466729704 LRDDCSMYXDYLLM-YYWHXJBOSA-N 426.488 2.532 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2nc3ccccc3o2)C1 1857691520 OWVGHAYIWYXRDR-OHUGHZGNSA-N 440.588 2.699 0 50 IFAA NC(=O)C(F)(F)[C@@]1(O)CCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)C1 1875359501 GBWOZJJEBPPEDA-HXUWFJFHSA-N 445.495 2.694 0 50 IFAA CC1=C(C(=O)OCCOC(C)C)[C@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 8396097 DJJJYBSLHSBJDE-INIZCTEOSA-N 441.278 2.774 0 50 IFAA COCCN1C(=O)C[C@](CC(=O)N2CCC[C@@H]2c2nccs2)(c2ccccc2F)C1=O 11787864 KPCFJKVPRZVCEU-VGOFRKELSA-N 445.516 2.679 0 50 IFAA COc1ccc(CN2CCc3c(C(=O)N4CCCC4)c(OC)cc(=O)n3CC2)c(C)c1C 14888493 RWQDASACNOZJTR-UHFFFAOYSA-N 439.556 2.777 0 50 IFAA O=C(c1cn(CCC2CCCCC2)nn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19223105 BXZBZEXVPOZDRR-UHFFFAOYSA-N 425.533 2.935 0 50 IFAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 19865976 IYWDHRBFZWIBLD-UHFFFAOYSA-N 432.307 2.934 0 50 IFAA COc1ccc(C)cc1NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 169752361 UHMWPKMRHFXXNY-UHFFFAOYSA-N 436.443 2.750 0 50 IFAA C[C@H](O)CC(C)(C)CNS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 170591780 UNSABAWDEYVIBX-KRWDZBQOSA-N 426.579 2.752 0 50 IFAA O=C(Cn1c(=O)n2nnnc2c2ccccc21)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 170614801 GRYPXNDREGNJRI-QFIPXVFZSA-N 449.474 2.817 0 50 IFAA COCCn1ccc2c(OCC(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)cccc21 263587011 BBKRNTNSODYCQJ-UHFFFAOYSA-N 443.525 2.845 0 50 IFAA CCOC(=O)[C@H](NC(=O)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1875306233 YDXICBDXBACRHR-DOTOQJQBSA-N 440.924 2.944 0 50 IFAA Cc1sc2nc(-c3cccnc3)nc(N(C)Cc3nnc4c(=O)n(C)ccn34)c2c1C 1875359413 COUMCUQDOQBRSU-UHFFFAOYSA-N 432.513 2.748 0 50 IFAA Cc1nc2ccc(CC(=O)N3CCCCNC(=O)C[C@@H]4CCCCN4CCC3)cc2[nH]1 2100533317 KEDYGQWORRLRPX-FQEVSTJZSA-N 425.577 2.787 0 50 IFAA Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)[C@@H](C)n3cncn3)cc2)cc1 2325726055 BVYXOQLRBIBWEU-IAGOWNOFSA-N 427.530 2.791 0 50 IFAA O=C(NC(=S)Nc1ccc(I)cn1)c1ccc2c(c1)OCO2 1120288 ZMRBKDZACOIOBB-UHFFFAOYSA-N 427.223 2.542 0 50 IFAA O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2ccccc2F)CC1 1452050 CHXPGCNJGVPTOJ-UHFFFAOYSA-N 431.533 2.963 0 50 IFAA CCOC(=O)C1CCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)CC1 12298588 ADNSQIWSRIUCCB-UHFFFAOYSA-N 446.544 2.508 0 50 IFAA COC(=O)[C@@H](CSCc1ccccc1)NC(=O)CSc1nc(SC)ns1 12417355 VJADKVKHDCSAMN-GFCCVEGCSA-N 429.614 2.943 0 50 IFAA COC(=O)c1c(S(=O)(=O)N2CCCCC2)sc2c1CCN(C(=O)C1=CCCC1)C2 12451087 VHVNXIHUMYUFFH-UHFFFAOYSA-N 438.571 2.704 0 50 IFAA COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1ccncc1)c(=O)n2-c1ccccc1 20220714 UGCXURPUQFLAMZ-UHFFFAOYSA-N 428.448 2.655 0 50 IFAA COc1ccc([C@@]2(CC(=O)N3CCN(C(C)C)CC3)CC(=O)N(CCC(C)C)C2=O)cc1 20450730 ZRFPHHLMJQLGQJ-RUZDIDTESA-N 443.588 2.681 0 50 IFAA Cc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(Cl)cc4F)c2=O)CCCCC3)no1 169769980 PJHQLZDOPCPOQN-UHFFFAOYSA-N 447.854 2.526 0 50 IFAA COc1ccc([C@@H]2Cn3nnc(CN4CCN(C(=O)CC5CCCC5)CC4)c3CO2)cc1 263615185 BAONWEQZBQIMJD-QHCPKHFHSA-N 439.560 2.783 0 50 IFAA CC(C)CC[C@]1(C2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)NC(=O)NC1=O 299767017 AHWZCFZFKMIYOX-HSZRJFAPSA-N 425.485 2.660 0 50 IFAA COC[C@]1(C)N=C(O)N([C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1=O 328594889 FNYDCEHSCKZHGN-LIRRHRJNSA-N 438.322 2.723 0 50 IFAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)C2)c1 1506409471 QXPJBGDKVNJRQA-QGZVFWFLSA-N 432.542 2.891 0 50 IFAA COc1ccccc1-c1noc(CCCC(=O)N(CCN(C)C)Cc2[nH]cnc2C)n1 1704339124 CHPTWZZUELOMFL-UHFFFAOYSA-N 426.521 2.690 0 50 IFAA CCc1cc(NC(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)sc1C(=O)OC 1875309241 ZTDNXKJDUYSOJE-UHFFFAOYSA-N 441.531 2.669 0 50 IFAA Oc1c(-c2nc(-c3ccc(CN4CCCC4)cc3)nn2[C@H]2CCCOC2)cnc2ncnn12 1875348185 ZZLPVIZGQWZPII-SFHVURJKSA-N 446.515 2.703 0 50 IFAA CCn1c(O)nc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C4(CCC4)C3)ccc2c1=O 2325864382 NHXLUIJUTMXYAF-HNNXBMFYSA-N 442.516 2.784 0 50 IFAA CCOC(=O)COc1cc(Cl)c([C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1126676 FPOISSUSGYTAGQ-KRWDZBQOSA-N 442.921 2.646 0 50 IFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Cl)C1 2808163 NPVPEYMIIDHZDK-NSHDSACASA-N 449.335 2.987 0 50 IFAA Cn1cc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CCN(c2ccccc2F)CC1 8610099 PKXPXQMGZWAWAJ-UHFFFAOYSA-N 448.564 2.691 0 50 IFAA CC[C@H](C)CC(=O)N1CCc2c(sc(S(=O)(=O)N3CCCC3)c2C(=O)OC)C1 12281133 UHUZXAFDGMGKFA-ZDUSSCGKSA-N 428.576 2.640 0 50 IFAA COc1ccccc1N1CCN(C(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 13153366 QDQCYCXPYAWBHJ-UHFFFAOYSA-N 429.476 2.793 0 50 IFAA Cc1ccc(OC[C@H](O)CN2CCN(C[C@@H](O)COc3ccc(C)c(C)c3)CC2)cc1C 22942683 IBBXPASVZXULQY-DNQXCXABSA-N 442.600 2.717 0 50 IFAA Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1 65362460 FYQJXQIWUWLBLP-UHFFFAOYSA-N 437.516 2.564 0 50 IFAA O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1Cc1ccc(Cl)cc1 95483236 OWPLGTCMPHVOQU-LJQANCHMSA-N 441.915 2.514 0 50 IFAA COc1ccc(C(=O)[C@@H](NCCC(=O)Nc2ccccn2)c2oc(C)cc(=O)c2O)cc1 1776111507 CCCGCSKVDXSQON-HXUWFJFHSA-N 437.452 2.600 0 50 IFAA Cc1nsnc1C(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)s1)C(=O)CCO2 1857718630 YEIDEYKRNNGFBC-UHFFFAOYSA-N 440.978 2.985 0 50 IFAA CNC(=O)c1nn(C)cc1NC(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 2325828971 XAMOTTWNLAIOPZ-OAQYLSRUSA-N 438.576 2.934 0 50 IFAA O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCc1ccccn1 810313 WYEQKXIQUCRTGC-UHFFFAOYSA-N 445.928 2.909 0 50 IFAA Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](c4ccccc4)CC3=O)c2)s1 1440670 BLBCWLFMTHLIPJ-MRXNPFEDSA-N 442.522 2.804 0 50 IFAA Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 1858849 WSTSZWMYDHYAKV-UHFFFAOYSA-N 437.279 2.574 0 50 IFAA O=C(NC[C@@H]1COCCO1)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 12338152 WTILWKINFRCTGS-LJQANCHMSA-N 445.523 2.841 0 50 IFAA C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(Cc4ccc(F)cc4)CC3)c2C(N)=O)C1 19641492 CXFROJBVTIJAMF-OAHLLOKOSA-N 444.576 2.867 0 50 IFAA Cc1csc(SCC(=O)N2CCC([C@@]3(Cc4ccccc4)NC(=O)NC3=O)CC2)n1 20909034 QBJCOOQTRJCFRD-OAQYLSRUSA-N 444.582 2.603 0 50 IFAA O=C(COC(=O)C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1)c1ccc(F)cc1 100619294 RGEOKAQTMSWIIU-SMFUMEQPSA-N 425.456 2.918 0 50 IFAA Cc1cn2nc(-c3nc([C@@H]4CCCN(C(=O)c5ccc(C)c(F)c5)C4)no3)cc2c(=O)[nH]1 169780411 DQFOIPSLXGELPV-OAHLLOKOSA-N 436.447 2.848 0 50 IFAA COC(=O)c1cc(S(=O)(=O)Nc2c(C)ccc(Br)c2C(=O)O)ccc1O 225611195 SRQKQDPSCQNQEY-UHFFFAOYSA-N 444.259 2.749 0 50 IFAA O=C(CCSc1ccccn1)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 225716487 POXZGBLXIHFPSJ-GOSISDBHSA-N 431.533 2.537 0 50 IFAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5ccccc5C)CC4)c3CO2)cc1 263618032 QYEHMZHVSXLLOU-QFIPXVFZSA-N 433.512 2.829 0 50 IFAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 446389884 ZQHVHAZUFQKSTQ-KKSFZXQISA-N 426.467 2.888 0 50 IFAA CC(=O)N[C@H](CC(=O)N[C@@](C)(CO)COc1ccccc1)c1ccc(Br)cc1 1875344764 ONJIGROJGJJEHC-CTNGQTDRSA-N 449.345 2.963 0 50 IFAA O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)N[C@@H]1CCCN(c2ccc(F)cc2F)C1=O 2325827287 BIMJCGAETQKKGM-SJLPKXTDSA-N 434.487 2.551 0 50 IFAA Cc1nc(N2CCC[C@@H](C(=O)NC(C3CC3)C3CC3)C2)nc2cc(S(C)(=O)=O)ccc12 12037531 UDIQUSKTCKAUBR-QGZVFWFLSA-N 442.585 2.863 0 50 IFAA CCOC(=O)[C@H]1CCCN(C(=O)c2cn(C3CCCC3)cc(C(=O)NCC(C)C)c2=O)C1 12156216 LDTHRTYIAVXKJI-KRWDZBQOSA-N 445.560 2.765 0 50 IFAA COc1ccc(OC2CCN(C3CCCC3)CC2)c(C(=O)NCCCN2CCOCC2)c1 12570436 WHXTXDLDWMZZOQ-UHFFFAOYSA-N 445.604 2.933 0 50 IFAA COc1cc2c(cc1OC)CN([C@@H]1CCCN(C(=O)CCn3nc(C)cc3C)C1)CC2 12744799 XFEHQRIGLOVZED-OAQYLSRUSA-N 426.561 2.957 0 50 IFAA COc1ccc(CN2C[C@@H](CN3CCCC3)C[C@@H](C(=O)NC[C@H]3CCCO3)C2)cc1OC 14742187 FPWJJEWNWZCBAM-YPAWHYETSA-N 445.604 2.533 0 50 IFAA CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CN(C)Cc1cscn1 14880157 YGXGLZUKMNJGAN-UHFFFAOYSA-N 437.525 2.989 0 50 IFAA O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)Nc1ccc(F)cc1 245255617 JFNDATCYSPBWPE-QAQDUYKDSA-N 447.532 2.665 0 50 IFAA Cc1ccc([C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 248121790 XTNGUQKDFGDXSJ-SMQFJCFBSA-N 444.524 2.968 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@@H]1c1cccs1 8443606 XPHYTMLMVIHPDX-QIPHDZALSA-N 426.519 2.565 0 50 IFAA O=C(NCc1nnc2n1CCN(C(=O)/C=C/c1cccs1)CC2)c1cccc(F)c1 12049648 ZWXVZBWGUVTQRV-VOTSOKGWSA-N 425.489 2.507 0 50 IFAA COc1ccc(CN(C)Cc2cnccn2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12587446 WIFSHSXAWKNMPS-QHCPKHFHSA-N 436.556 2.989 0 50 IFAA COc1cccc(CN[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)c1 14742511 PXLIOEQALSKISR-IBGZPJMESA-N 426.561 2.667 0 50 IFAA COC(=O)CN(C)Cc1ccc2c(NC(=O)c3ccccc3)c(C(=O)OC)sc2n1 39461339 DKZJIUVJWCASME-UHFFFAOYSA-N 427.482 2.940 0 50 IFAA C[C@@H](c1nnnn1-c1ccccc1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 170593422 XFNQGVXODBOCNI-NZQKXSOJSA-N 445.571 2.532 0 50 IFAA Cc1cc(O)c([C@@H](CC(=O)NCCc2ccc(O)cc2)c2ccc3c(c2)OCO3)c(=O)o1 253471415 RIVWUUMVMSMADG-SFHVURJKSA-N 437.448 2.969 0 50 IFAA Cc1ccc([C@@H](NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccn2)cc1 472036591 YKLVAEUNYRLZDR-BGJPATFMSA-N 430.508 2.586 0 50 IFAA COc1ccc(-c2ccno2)cc1S(=O)(=O)N1CCCN(c2ccncc2C)CC1 952965801 UOSSNRXALDJEPL-UHFFFAOYSA-N 428.514 2.955 0 50 IFAA Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)NCc1ccccc1CN(C)Cc1ccco1 1477948547 XOJFYQQMHJDTTK-NRFANRHFSA-N 425.533 2.795 0 50 IFAA O=C(O)COc1ccc(-c2cnccn2)cc1CN1CCCN(C(=O)c2ccco2)CC1 1506426948 QQJMEAGAJHEKFE-UHFFFAOYSA-N 436.468 2.548 0 50 IFAA O=C1CC[C@H](N2Cc3c(cccc3-c3ccc(C(=O)O)cc3C(F)(F)F)C2=O)C(=O)N1 1875356537 PQBXPFRXGCUUIL-INIZCTEOSA-N 432.354 2.832 0 50 IFAA CC(C)CO[C@H](C(=O)NCCN(C(=O)c1cn(C)nc1C(F)(F)F)C1CC1)C(C)C 2325828234 BNFVHIAGRNFVSE-INIZCTEOSA-N 432.487 2.857 0 50 IFAA COCC[C@H](CNC(=O)c1cc2cc(Cl)ccc2n1C)NC(=O)C1SCCS1 2325877679 XCMNFXXSEMZECS-CQSZACIVSA-N 442.006 2.889 0 50 IFAA O=S(=O)(c1ccc(I)cc1)N1CCN(c2ccccc2F)CC1 944448 PMUYNNFWWXDNQF-UHFFFAOYSA-N 446.285 2.941 0 50 IFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 1059457 KNGLOSBSDKNEBF-UHFFFAOYSA-N 441.509 2.532 0 50 IFAA O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1 8112531 KXOLDTIXQTZHSX-UHFFFAOYSA-N 427.570 2.753 0 50 IFAA CC[C@@H](C(=O)N1CCN(c2cccc(Cl)c2)CC1)n1c(=O)[nH]c2ccccc2c1=O 9580601 BCGDBAMRJVSOMS-IBGZPJMESA-N 426.904 2.643 0 50 IFAA O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1ccco1 12374879 YHEJQEMBXIXYIJ-AWEZNQCLSA-N 437.252 2.923 0 50 IFAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 14955015 PFCWOXFAYUMNIV-DEOSSOPVSA-N 449.511 2.917 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCOCC2)cc1 19334264 JYQADNKFDXUPRR-UHFFFAOYSA-N 429.542 2.556 0 50 IFAA Cc1ccc(C(=O)NCCCN2CCN(CCCNC(=O)c3ccc(C)s3)CC2)s1 19648108 SWMGRBBVSKVMBO-UHFFFAOYSA-N 448.658 2.984 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3cc(F)ccc3C)cc2OC)CC1 20450805 SNRNLTDSLVOYDV-HSZRJFAPSA-N 445.579 2.810 0 50 IFAA O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 20509984 ZLKUCZBZKHGTJH-SJLPKXTDSA-N 437.466 2.996 0 50 IFAA CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)[nH]1 225416282 XCAICDXDKFOJKO-QWHCGFSZSA-N 437.566 2.895 0 50 IFAA CN(C)c1ncc(C=C(C(=O)NCCc2ccccc2)C(=O)NCCc2ccccc2)n1C 241121871 JEJRCNMWPIAJGJ-UHFFFAOYSA-N 445.567 2.587 0 50 IFAA CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1NC(=O)Cc1csc2nccn12 252478982 AYRFGBCXYZDJPU-UHFFFAOYSA-N 443.529 2.832 0 50 IFAA Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 441677839 OVAQFPWDIWUWRV-UHFFFAOYSA-N 437.500 2.671 0 50 IFAA Cc1c(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)cnn1-c1ccc(O)nn1 473611439 PTBYAEHHGHOQBR-XHDPSFHLSA-N 432.253 2.864 0 50 IFAA CCc1ccc2c(c1)[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)CCO2 1466729701 LRDDCSMYXDYLLM-DZFGPLHGSA-N 426.488 2.532 0 50 IFAA COc1cccnc1CN1CC2(CCN(C(=O)c3sccc3C)CC2)OCCC1=O 1857726364 NOKWFRCNJRSPOB-UHFFFAOYSA-N 429.542 2.884 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 861887 ZFKRAQMLLKSJCD-XQJRBFNUSA-N 448.500 2.527 0 50 IFAA COc1cc(CNn2c(C)nnc2SCc2ccc(F)cc2)ccc1OCC(N)=O 2846329 QYNQSIYFNJCPFG-UHFFFAOYSA-N 431.493 2.634 0 50 IFAA COc1ccc(CN2CCc3[nH]ncc3C2)cc1OC[C@@H](O)CN1CCCCCCC1 15073895 VSZHVCRXPOCOOV-NRFANRHFSA-N 428.577 2.982 0 50 IFAA CC(C)c1c(N2CCC[C@H](C3OCCO3)C2)ncnc1N1CCC[C@H](C2OCCO2)C1 225539850 GBVQHZUJGOAMRU-ROUUACIJSA-N 432.565 2.779 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)CC2)s1 247832822 LYMWQTTVVWKIDO-ZSXDVEMLSA-N 439.647 2.692 0 50 IFAA CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1C 248032626 QRKHBFAMMHEZTB-CGTJXYLNSA-N 449.573 2.528 0 50 IFAA COc1ccc(CNC(=O)CCN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC 253412212 QFDIJQDMNLYOCS-UHFFFAOYSA-N 440.496 2.783 0 50 IFAA biogenic CN1CCC2(CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(Br)cc3)CC2)C1=O 445263902 YYRVIMQATWFFNC-KRWDZBQOSA-N 448.361 2.525 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nc3c(s2)CCCC3)C1 1857705043 PLYAJWPQTHDELN-YDIMBITNSA-N 446.661 2.851 0 50 IFAA O=C(c1cc(-n2cccc2)cc(C(F)(F)F)c1)N1CCN(S(=O)(=O)C2CC2)CC1 1875321152 WJMYMJOOEUMHPP-UHFFFAOYSA-N 427.448 2.746 0 50 IFAA O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)N[C@H](CO)Cc1cccs1 1875326829 OHORUEBSOYRPDX-IBGZPJMESA-N 428.558 2.760 0 50 IFAA CCOc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1 888997 BKSDJDWQPFSAFR-HXUWFJFHSA-N 432.542 2.884 0 50 IFAA O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1ccccn1 6244948 BVGNHKRFMJORGW-UHFFFAOYSA-N 437.521 2.918 0 50 IFAA Cc1nc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cs1 11841493 YDBBZBCDISHXLB-SFHVURJKSA-N 427.574 2.828 0 50 IFAA CSc1nnc(CNC(=O)CN2C[C@@H](c3ccccc3)CC2=O)n1-c1ccc(F)cc1 11983393 WYQSWSNYZFQHOC-INIZCTEOSA-N 439.516 2.761 0 50 IFAA CCn1nc(C)cc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccncc2)C1 14541788 UCMODPGUGKCIPU-NRFANRHFSA-N 439.560 2.809 0 50 IFAA CC(C)CNc1cc(C(=O)NC[C@H]2CCCN(C)C2)cc(S(=O)(=O)NC(C)(C)C)c1 14732274 UGXNBVNMMOLQDX-QGZVFWFLSA-N 438.638 2.903 0 50 IFAA COC(=O)c1c(NC(=O)COCC(=O)O)sc(C(=O)Nc2ccc(C)cc2C)c1C 17098789 HPTKCCSOJHTYJJ-UHFFFAOYSA-N 434.470 2.752 0 50 IFAA Cn1cc(CCNC(=O)C2CCN(C3CCN(c4nc5ccccc5o4)CC3)CC2)cn1 19335404 YJJDOENHKSLHLV-UHFFFAOYSA-N 436.560 2.601 0 50 IFAA Cc1ccc([C@H]2NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3)C3=C2C(=O)OC3)cc1 169757962 KGJZBVCLRKPYMZ-OAQYLSRUSA-N 439.899 2.885 0 50 IFAA CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 170596857 MBRLCTOYRQEFIV-DOTOQJQBSA-N 439.478 2.960 0 50 IFAA COC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 170597361 YCJCADYRKJCOOY-GOEBONIOSA-N 429.439 2.693 0 50 IFAA O=C(NCCc1cccc(Cl)c1)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 242273704 YFFTVAYNMAVAIZ-QGZVFWFLSA-N 443.352 2.742 0 50 IFAA O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)NC1CCC2(CC1)NC(=O)NC2=O 489227991 UQIMZRSRBLTSTC-UHFFFAOYSA-N 434.496 2.609 0 50 IFAA O=C1CN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c2ccc(Br)cc2N1 761798484 MKCKYRKQWIHVJW-ZDUSSCGKSA-N 435.322 2.662 0 50 IFAA CN(C(=O)c1ccccc1S(=O)(=O)Cc1ccccc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704344541 SIDQOEAJYDCIJG-CEXWTWQISA-N 426.538 2.647 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1ccc2c(c1)OCO2 816599 PXZWCGYPMBOSSO-UHFFFAOYSA-N 427.276 2.583 0 50 IFAA COc1ccccc1NC(=O)CSc1nnc(CCNC(=O)c2ccc(C)cc2)n1C 2859356 WLROTPMYPRGEGV-UHFFFAOYSA-N 439.541 2.835 0 50 IFAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)[C@H]1COc3ccccc3C1)CC2 14751316 JUZQGLOQKBANJQ-GOSISDBHSA-N 446.507 2.639 0 50 IFAA CCOC(=O)c1nn(CCOC)c2c1CN(C(=O)c1c(-c3ccccc3)noc1C)CC2 20857396 WPLUSIFOVYFQNY-UHFFFAOYSA-N 438.484 2.868 0 50 IFAA O=C1OCCN1C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 95704823 FUQQDGDDHVWDPM-UHFFFAOYSA-N 437.953 2.598 0 50 IFAA CC(C)(C)OC(=O)N1CCC(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)O)CC1 211383301 PMJXXYFXVGVQIV-UXHICEINSA-N 445.560 2.583 0 50 IFAA O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)C1 222215203 AFJRDKZSKWDLSA-XMCHAPAWSA-N 428.485 2.951 0 50 IFAA COCCn1c([C@@H](C)NC(=O)c2ccc(Cl)cc2-n2cnnn2)nc2ccccc21 252490329 KPRIYXCQZOVHKS-CYBMUJFWSA-N 425.880 2.803 0 50 IFAA Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 436220847 MSXXHMORAIXPMG-UHFFFAOYSA-N 447.447 2.758 0 50 IFAA O=C(Nc1cncnc1N1CCCC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 499451987 YBHJHEGPUWOHQR-CYBMUJFWSA-N 430.306 2.831 0 50 IFAA O=C(Nc1ccc(-n2ncc3c(O)ncnc32)cc1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 732655315 OXBRSABLVCEBGU-SFHVURJKSA-N 436.378 2.931 0 50 IFAA NC1(CCNC(=O)N2CC[C@@](c3nc(-c4ccc(F)cc4)no3)(C(F)(F)F)C2)CC1 952893406 LXAJMHFKCNOXLD-GOSISDBHSA-N 427.402 2.973 0 50 IFAA Cc1c(C(=O)N2CCO[C@@H](CN3CCCC3)[C@@H]2c2ccccc2)sc2[nH]cnc(=O)c12 1857715534 WEQKBGUOHSOQOR-HKUYNNGSSA-N 438.553 2.971 0 50 IFAA Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(CN4CCN(C5CC5)CC4)cn3)C2=O)cc1C 1875264911 GEVIAPKLHZLQRN-QHCPKHFHSA-N 447.583 2.970 0 50 IFAA Cc1c(Cl)ncnc1N1Cc2ccccc2C[C@@H]1CNC(=O)c1cnn2ccncc12 1875359089 UCGSFIMLOUAZOP-QGZVFWFLSA-N 433.903 2.842 0 50 IFAA CCc1nc(-c2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)n[nH]1 1875383078 FYSQCOBOWWZNMA-UHFFFAOYSA-N 439.541 2.517 0 50 IFAA CC(C)[C@H]1CN(CC(F)(F)F)CCN1CC(=O)N1CCN(Cc2cccs2)CC1 2325729836 ZFDCLCHXRKJBDH-GOSISDBHSA-N 432.556 2.597 0 50 IFAA CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 706492 UHOGOPMXBVADHU-MGPLVRAMSA-N 439.262 2.528 0 50 IFAA biogenic Cc1ccc2c(c1)n(S(=O)(=O)c1cccs1)c(=O)n2S(=O)(=O)c1ccsc1 2854990 MYEREGTZIDULSX-UHFFFAOYSA-N 440.549 2.708 0 50 IFAA aggregator CC[C@@H](C)C(=O)N1CCC([C@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 12035947 VUVOYCWYNHDHQQ-CMJOXMDJSA-N 431.533 2.799 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCCc1cccnc1 12192514 AKDVISCDHQLERE-DEOSSOPVSA-N 444.535 2.923 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCCc1ccc(F)cc1)C2 14745391 OEVLKBBMZZJCHU-HXUWFJFHSA-N 428.552 2.840 0 50 IFAA COc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c(OC)n1 61969830 ABZBQIFXTFJTAK-SFHVURJKSA-N 440.544 2.534 0 50 IFAA Cc1ccc([C@@](O)(Cc2nc(CNS(=O)(=O)c3ccc(F)cc3)no2)C(F)(F)F)o1 170601607 VRVBGCBSDQVHOO-INIZCTEOSA-N 449.382 2.581 0 50 IFAA CN(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H](C[S@@](C)=O)c1ccccc1)c1cnn(C)c1 225330039 FCAVROKCEVKNSG-DGHVEJQWSA-N 434.562 2.564 0 50 IFAA COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 245227539 IRUDFGZNFIITJO-BGJPATFMSA-N 444.487 2.830 0 50 IFAA COc1ccc([C@@H](CC(=O)NCCNc2ncccn2)c2cc3c(cc2O)OCO3)cc1 824654504 JODWRSWZJXPPPX-QGZVFWFLSA-N 436.468 2.670 0 50 IFAA biogenic Cc1nn2c(nc1=O)-c1ccccc1N1C(=O)CC[C@]12CCC(=O)Nc1ccc(F)cc1 1875306829 DAMZLMMWVYZTBA-HSZRJFAPSA-N 433.443 2.965 0 50 IFAA O=C(O)c1ccccc1CCC(=O)N1CCC[C@H](Cn2cc(-c3cncs3)nn2)C1 1875326887 QLFQLFFNSMVLJJ-HNNXBMFYSA-N 425.514 2.971 0 50 IFAA O=C(c1ccc(O)nc1)N1CC[C@H]([C@H]2CCCCN2C(=O)c2coc(-c3cccnc3)n2)C1 1875359328 APUPDXCXSDRMLK-AZUAARDMSA-N 447.495 2.994 0 50 IFAA Cc1ccc(C(=O)Nc2c(C(=O)N3CCC(C(N)=O)CC3)cnn2-c2ccccc2)cc1 1081004 BGFAZHZAXOUFQG-UHFFFAOYSA-N 431.496 2.771 0 50 IFAA Cn1nc(C(=O)NC[C@H]2Cc3cc(-c4ccccn4)cc(F)c3O2)c2ccccc2c1=O 11912457 WUAICOVGIZUOHJ-MRXNPFEDSA-N 430.439 2.868 0 50 IFAA Cc1nn(-c2ccccc2)c(C)c1CN1CCN(CN2C(=O)C(=O)c3ccccc32)CC1 20528503 WPRAQVZSBSLNFA-UHFFFAOYSA-N 429.524 2.794 0 50 IFAA O=C(N[C@H](CO)c1ccccc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 245254860 CRVJKADYBFLZHF-HGHGUNKESA-N 434.533 2.760 0 50 IFAA CCc1cc(O)nc(-c2cccc(NC(=O)C(=O)N(C)[C@@H](CCO)c3ccccc3)c2)n1 440559436 QFQBVTGLCLPCEI-FQEVSTJZSA-N 434.496 2.932 0 50 IFAA Cc1cc(C[C@H]2CN(Cc3ccc(OCC(=O)N4CCC(C)CC4)cc3)C[C@@H]2O)on1 1615737605 XQISHHCTOUGJEW-REWPJTCUSA-N 427.545 2.656 0 50 IFAA COc1cccc2c1C1(CCN(S(=O)(=O)c3cccc(NC(C)=O)c3)CC1)OCC2 1704297393 PRUVUEPZLIXCMG-UHFFFAOYSA-N 430.526 2.906 0 50 IFAA C[C@H]1C[C@@H]2CCN1C(=O)c1ccc(Cl)cc1OCCCn1cc(nn1)CCCC(=O)N2 1704322752 ODNZQMWAUUARLX-RDJZCZTQSA-N 445.951 2.846 0 50 IFAA C[C@H](SCC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)c1ccc2c(c1)NC(=O)CO2 1857798937 GYRADBSDTXACCE-NEPJUHHUSA-N 440.477 2.924 0 50 IFAA Cc1c(C(=O)N2CC[C@H](N(C)C(=O)OCc3ccccc3)C2)sc2[nH]cnc(=O)c12 1875342236 GBZJTFBDNQGFLD-HNNXBMFYSA-N 426.498 2.776 0 50 IFAA COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCOCC3)N(Cc3cccc(O)c3)C2)cc1 11996471 UPOSYHOYBVSIRP-YADHBBJMSA-N 428.554 2.995 0 50 IFAA NC(=O)c1ccc(N2CCC(CCC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)nc1 12386425 ZCSLFOKWWZIWIZ-QFIPXVFZSA-N 435.572 2.568 0 50 IFAA O=C(NCCN1CCOCC1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 13130338 QUZHSYCBZSWPFH-UKRRQHHQSA-N 429.468 2.667 0 50 IFAA CCn1cc(S(=O)(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccnn2CC)cn1 20602500 JCQJHISOMHTUOA-UHFFFAOYSA-N 447.561 2.570 0 50 IFAA O=C(CNS(=O)(=O)c1c(F)cccc1F)N[C@H]1CCc2c(Br)cccc21 253404775 RJJVUXLSUWKJMP-HNNXBMFYSA-N 445.285 2.809 0 50 IFAA Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1 447741499 ABVBBBGTVOHNRE-RUZDIDTESA-N 443.507 2.721 0 50 IFAA C[C@]1(c2cccc(CNC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)c2)NC(=O)NC1=O 1322307364 FIDXSGVKVPGKTO-XMMPIXPASA-N 446.511 2.707 0 50 IFAA Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cccc(Cn4cccnc4=O)c3)C2=O)cc1 1875262411 IMTPBXQXRJSXCL-OAQYLSRUSA-N 431.496 2.523 0 50 IFAA CCn1ncc2c(NC3CCOCC3)c(CN=c3[nH]cnc4cc(C5CC5)nn34)c(C)nc21 1875337289 WBMUMRZONQILBS-UHFFFAOYSA-N 447.547 2.700 0 50 IFAA COC(=O)Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc(OC)cc3)ncn2)cc1F 1875357228 XPOMPQJRZNCBEO-UHFFFAOYSA-N 431.445 2.808 0 50 IFAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[S@@](=O)(=NC(=O)C2(C)CC(F)(F)C2)CC1 2332239041 UPCWGKLGHWXTFK-OSXTUODASA-N 444.548 2.803 0 50 IFAA COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)c1 666441 RQUFUBVNHMYLQZ-HXUWFJFHSA-N 426.425 2.804 0 50 IFAA O=C(O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1I 2828994 PHYZEGTWXQUZGP-NTUHNPAUSA-N 437.189 2.875 0 50 IFAA Cc1nc(N2CCC[C@H](C(=O)NC(C3CC3)C3CC3)C2)nc2cc(S(C)(=O)=O)ccc12 12037535 UDIQUSKTCKAUBR-KRWDZBQOSA-N 442.585 2.863 0 50 IFAA CCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)c1cn[nH]c1)CC2 12204748 YNMDCJLHNIOQFD-YADHBBJMSA-N 445.523 2.869 0 50 IFAA CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCc2cn3ccsc3n2)c1=O 12338178 TZNFUYKKJSXBNA-UHFFFAOYSA-N 443.573 2.919 0 50 IFAA COc1cc(CN2CCc3[nH]ncc3C2)ccc1OC[C@@H](O)CN(C)C1CCCCC1 15062080 UXSIMLGLCNXEOH-NRFANRHFSA-N 428.577 2.981 0 50 IFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)C2CCN(C(C)=O)CC2)C1 15075400 DVBKWRIDWWUCFI-QHCPKHFHSA-N 436.499 2.938 0 50 IFAA CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(N5CCOCC5)ncnc4c23)CO1 18115471 VZJRETWOYNYCDA-UHFFFAOYSA-N 441.557 2.764 0 50 IFAA Cc1cccn2c(CN(C)CCN3CCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 19740801 XVNIZVPPHPBRAL-UHFFFAOYSA-N 449.599 2.721 0 50 IFAA C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)O 31291853 VPLAJGAMHNQZIY-ZBRFXRBCSA-N 432.516 2.912 0 50 IFAA endogenous,world CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)N2CCc3ccccc32)C2=C1C(=O)OC2 169758183 KPFATAXMCFEVDL-QFIPXVFZSA-N 433.464 2.552 0 50 IFAA CN1C(=O)C[C@@](CC(=O)N2CCN(c3ccc(F)cc3)CC2)(c2ccccc2Cl)C1=O 299759325 QNWYOOUPBAIGFW-HSZRJFAPSA-N 443.906 2.845 0 50 IFAA Cc1nn(-c2ccc(C(=O)N3CCOC[C@@H]3c3nc[nH]n3)cc2)c(C)c1Br 328591631 BWESZSJQZUBERP-OAHLLOKOSA-N 431.294 2.583 0 50 IFAA COc1ccc(NC(=S)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cc1 788343614 SHFHEGWHMFICNN-QGZVFWFLSA-N 431.533 2.838 0 50 IFAA Cc1cc(C(F)(F)F)c2c(=O)n(CC(=O)N[C@@H](C)c3ccc4c(c3)OCO4)n(C)c2n1 1875258717 OSTGBYMGLNFCNP-NSHDSACASA-N 436.390 2.668 0 50 IFAA COc1ccc(-n2c(S[C@@H](C)C(=O)N3CCOCC3)nc3ccccc3c2=O)cc1 9348057 FXVGUCVCQLKIEV-HNNXBMFYSA-N 425.510 2.734 0 50 IFAA COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CCN(C/C=C/C(C)C)CC3)c1 11783709 GIVMDZUZXPQVCJ-VOTSOKGWSA-N 439.556 2.866 0 50 IFAA COc1cc(CN(C)CCc2ccccn2)ccc1OC[C@H](O)CN1CCSCC1 11937969 WOFJKSPZXGLAMP-OAQYLSRUSA-N 431.602 2.553 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)N(C)C(C2CC2)C2CC2)(c2ccccc2OC)C1=O 12052785 OGFVQSCZUOUMBT-VWLOTQADSA-N 442.556 2.766 0 50 IFAA CCn1ccnc1CN(C)Cc1cnc(S(=O)(=O)C2CCCCCC2)n1CCOC 12301100 PUSWUZWMZSJWQH-UHFFFAOYSA-N 437.610 2.874 0 50 IFAA Cn1cc(CCC(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccc3)C2)cn1 14530875 FYOKJMPJBUJSJV-QHCPKHFHSA-N 438.572 2.942 0 50 IFAA COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(Cc3cnn(C)c3C)CC2=O)cc1 14541601 ZJYNNOLMGWKUTQ-DEOSSOPVSA-N 449.555 2.562 0 50 IFAA Cc1ccc(C(=O)N2CCC(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)cc1C 15066128 LJWKMLPLCFWLCR-HSZRJFAPSA-N 427.589 2.915 0 50 IFAA CCOC(=O)N1CCC(N2C(=O)CC[C@H]2CCNCc2ccc(C(=O)OC)cc2)CC1 15072612 IRTPUQADVICOIQ-IBGZPJMESA-N 431.533 2.565 0 50 IFAA CCOC(=O)Cc1cc(I)c(O)c(I)c1 33610373 OICDFUWSAQEXEK-UHFFFAOYSA-N 431.995 2.707 0 50 IFAA in-vitro O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cc(Cl)ccc1Cl 34875430 MELMLSPKOVMFBD-UHFFFAOYSA-N 428.341 2.938 0 50 IFAA Cc1ccc(Oc2ccc(C(=O)N3CCN(c4cc(N(C)C)nc(C)n4)CC3)cc2)nn1 72437297 IZKSSDOPWCKYQD-UHFFFAOYSA-N 433.516 2.704 0 50 IFAA CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@@]4(C)[C@@H]3C(=O)C[C@]21C)OCCO5 257359275 ZIQSUIGZEYCTRR-JUAQOOGUSA-N 446.540 2.735 0 50 IFAA CN(C(=O)COc1ccc2occ(C(=O)c3ccsc3)c2c1)[C@@H]1CCS(=O)(=O)C1 334160402 DBQUFVYAOQAKON-CQSZACIVSA-N 433.507 2.750 0 50 IFAA CN(C[C@H](O)CN1CCc2ccccc2CC1)C(=O)c1cccc(Oc2cnccn2)c1 1875254313 ATNAWMHREORCAL-QFIPXVFZSA-N 432.524 2.803 0 50 IFAA COC(=O)[C@@H]1CCSC12CN(C(=O)N[C@@H](C)c1csc(NC(=O)C(C)(C)C)n1)C2 1875345626 DKQRFAYICYPPCN-RYUDHWBXSA-N 440.591 2.879 0 50 IFAA C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)NC12CC(N3CCCCC3=O)(C1)C2 2325828226 BHEJYMVTGCWDDM-JYYVBTGASA-N 427.589 2.901 0 50 IFAA CCn1c2ccccc2c2nnc(SCC(=O)OCN3C(=O)c4ccccc4C3=O)nc21 1196780 HUHWHIIFALZXTI-UHFFFAOYSA-N 447.476 2.888 0 50 IFAA Cc1cccc(N2CCN(C(=O)c3c(C)oc4ncnc(N5CCOCC5)c34)CC2)c1C 8596132 JFDOASLAEZASBN-UHFFFAOYSA-N 435.528 2.947 0 50 IFAA CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc(F)c1 9392363 OBWJVBAFUXNTDX-GOSISDBHSA-N 425.507 2.698 0 50 IFAA Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3c(=O)[nH]cnc32)cc1 12462127 PPORIJJCLRARQT-UHFFFAOYSA-N 435.465 2.877 0 50 IFAA biogenic,in-vitro COCc1ccc(CN2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)o1 19742757 NFVAJLAGMCLZKN-NRFANRHFSA-N 438.532 2.598 0 50 IFAA COc1ccc(-c2nc(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(C)o2)c(C)c1C 20455533 QGUKYONIJVLSIT-GOSISDBHSA-N 433.574 2.580 0 50 IFAA Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1 218419035 PZSVYVZMUOAVFG-INIZCTEOSA-N 445.449 2.769 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)NOCCSC)c1 225436069 UHODEPRHQBJLCQ-UHFFFAOYSA-N 425.370 2.504 0 50 IFAA CCCn1c(CN2CCC(c3cnccn3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 225570929 VTQFIJBMUMMPAT-UHFFFAOYSA-N 442.589 2.866 0 50 IFAA CSCC[C@H]1NC(=O)c2cc(NC(=O)c3cc(-c4ccccn4)[nH]n3)ccc2NC1=O 334162435 TUWSXMDFKSIGSX-MRXNPFEDSA-N 436.497 2.528 0 50 IFAA CC(=O)N[C@@H](CC(=O)N[C@](C)(CO)COc1ccccc1)c1ccc(Br)cc1 1875344766 ONJIGROJGJJEHC-PZJWPPBQSA-N 449.345 2.963 0 50 IFAA O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 2325732283 KRFIXBXWRRINLP-AKHDSKFASA-N 440.462 2.661 0 50 IFAA COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(OC)c1OC(=O)N(C)C 6458781 GMOOTWXSTXZEEG-GZTJUZNOSA-N 425.466 2.535 0 50 IFAA COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 8817484 JTMTYCLRTRCGOP-INIZCTEOSA-N 449.891 2.983 0 50 IFAA COc1cccc([C@@]2(CC(=O)N3CCC[C@@H](C(C)=O)C3)CC(=O)N(C3CCCC3)C2=O)c1 12036704 QLSIPIGBGHBEMF-IQGLISFBSA-N 440.540 2.852 0 50 IFAA Cc1cc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)ccc1Br 16282138 ODVCJCQIQPLQTR-UHFFFAOYSA-N 441.303 2.891 0 50 IFAA O=C(O)c1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 18276676 AWDFOJFFZDKVDA-SFHVURJKSA-N 447.413 2.858 0 50 IFAA COc1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1O 19549434 CNQVEYGVKCTFAV-UHFFFAOYSA-N 426.922 2.569 0 50 IFAA O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)c1ccccc1 19901348 VTQXFXCZJKVYDY-UHFFFAOYSA-N 427.504 2.936 0 50 IFAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](N1CCN(C3CCCC3)CC1)CC2 23353766 KPRQRNQPMCIWFO-IBGZPJMESA-N 425.577 2.703 0 50 IFAA COc1ccccc1N1CCN([C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 55054378 MXTPXFDSYVGLMR-NRFANRHFSA-N 429.586 2.812 0 50 IFAA Cc1ccc(CN2C[C@@H](C(=O)NCCCN3CCN(C)C[C@H]3c3ccccc3)CC2=O)cc1 230154394 QIUQNOZTESHRCK-DQEYMECFSA-N 448.611 2.839 0 50 IFAA COC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)Nc2nnc(C(F)(F)F)n2[C@]1(C)O 239358458 NIVZTNPERHLOPR-IMSIIYSGSA-N 435.200 2.680 0 50 IFAA CC(C)[C@H](NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1nc(-c2cccnc2)no1 241911223 UASLOHAFSWCJBV-NUJGCVRESA-N 425.489 2.510 0 50 IFAA O=C(NNc1ncnc2ccccc12)c1ccc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 252536604 IYKPGKFEHVDRGM-USNOLKROSA-N 439.475 2.694 0 50 IFAA O=C1C[C@H](c2cccc(NC(=O)N[C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)c2)CN1 470396030 CEMCDAIPGMNGMZ-JXFKEZNVSA-N 442.466 2.881 0 50 IFAA Cc1nc(-c2nc(-c3c(Cl)nc4ccccn34)no2)nn1-c1n[nH]c(C(F)(F)F)n1 809474240 FNIDZDFMZOGDLF-UHFFFAOYSA-N 436.745 2.731 0 50 IFAA CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4ccc(Br)cc4)nn23)C1 820288115 UEVHGFOVOGYZII-LLVKDONJSA-N 442.364 2.754 0 50 IFAA O=C1CCCN(S(=O)(=O)N2CCCC2)CCOc2cccc(c2)CC[C@@H]2CCCCN12 1857704157 GISCWQUGUNMCBL-NRFANRHFSA-N 449.617 2.816 0 50 IFAA O=C1CCCN1c1cccc(C(=O)N2CC[C@@]34O[C@@H](c5ccccc5)CN3C(=O)C[C@@H]24)c1 1857741193 HVFGTSSCLKZHOU-OTPAQWSUSA-N 431.492 2.728 0 50 IFAA Cc1cccc([C@@H](CO)N2CCN(C(=O)c3cc4c(nc3O)CC(C)(C)CC4=O)CC2)c1 1875253775 LCLHMWPIBRGLGB-OAQYLSRUSA-N 437.540 2.742 0 50 IFAA CCC[C@H]1[C@H]2C[C@H](CN(S(=O)(=O)c3cccc4c3OCCO4)C2)c2cccc(=O)n21 2356144449 YJAMZXVRMCVQCA-BBWFWOEESA-N 430.526 2.769 0 50 IFAA CCOc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1 912557 WUBQFPWUUSLDSO-GOSISDBHSA-N 431.558 2.589 0 50 IFAA CC[C@H](O)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2nc(C)n(CC)c12 11785331 UGPJLHOLTGKYKO-INIZCTEOSA-N 430.530 2.666 0 50 IFAA COC(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2)nc1 11815991 ZFLRUPDQCGRZCF-LJQANCHMSA-N 439.512 2.548 0 50 IFAA CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(Cc2nc4ccccc4[nH]2)CC3)CC1 12242510 WCSPZNREZLYODX-SFHVURJKSA-N 439.560 2.902 0 50 IFAA O=C(C[C@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CCC[C@@H](CO)C1 12245768 ZGHMUISCBYQPBB-CJFMBICVSA-N 426.557 2.885 0 50 IFAA CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCOc1ccccc1 64859344 QGDXYIFHBPXXOY-HQUSFCFYSA-N 431.573 2.983 0 50 IFAA in-vitro NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C(F)(F)F)cc1 225497519 SURHQXOOSCSLFD-HNNXBMFYSA-N 427.810 2.649 0 50 IFAA COc1ccc([C@@H](CC(=O)NCCc2ccccn2)c2c(O)n3ccccc3nc2=O)cc1 1776111608 GUPMEGACRSZACW-HXUWFJFHSA-N 444.491 2.685 0 50 IFAA NS(=O)(=O)c1ccc(CCN=c2[nH]c3cc(Br)c(F)cc3s2)cc1 1875327712 HMQCSDPSUQRVSC-UHFFFAOYSA-N 430.324 2.922 0 50 IFAA COCc1cccc(C(=O)NCC[C@H]2CCCN(C(=O)[C@@H]3CCCc4ncnn43)CC2)c1 1875341055 DNKCTEUXBOYLTO-NQIIRXRSSA-N 439.560 2.751 0 50 IFAA COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)n1cc(-c2ccc(Cl)s2)nn1 2325850739 GMQSTLATZYJZAW-STQMWFEESA-N 427.958 2.515 0 50 IFAA CN(Cc1ccc(-c2cccnc2)c(F)c1)C(=O)C(=O)Nc1cnc2c(c1)C[C@@H](N)CC2 2325875268 LMYLXSQQXFRRPO-SFHVURJKSA-N 433.487 2.696 0 50 IFAA O=C(c1cccc(N2CCCC2=O)c1)N1CCc2nc(CCc3ccccc3)nn2CC1 2356156254 YWFPEYWGGQLZOP-UHFFFAOYSA-N 429.524 2.889 0 50 IFAA COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N(CCO)Cc2cccs2)c1 12227496 IPNMXWLIIVQPDQ-UHFFFAOYSA-N 432.542 2.781 0 50 IFAA CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)CN2C(=O)CSC2=O)C1 12430113 NSDJDXQYXUYFFH-JOCHJYFZSA-N 432.542 2.877 0 50 IFAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 13881505 XLGKCUJNRBOYJS-UHFFFAOYSA-N 425.400 2.722 0 50 IFAA COc1cccc(CNCC[C@H]2CCC(=O)N2C[C@@H](O)COc2cccc(OC)c2)c1 15003528 ZAIQXDPEGUBARO-WOJBJXKFSA-N 428.529 2.614 0 50 IFAA CCC[C@@]1(C2CCN(C(=O)c3ccoc3)CC2)NC(=O)N(CC[C@H]2CCCN2C)C1=O 15007330 UYAIGIUKVULALP-XXBNENTESA-N 430.549 2.707 0 50 IFAA COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CCN(Cc1ccc(OC)cc1)CC2 19739876 SBFUVDFHBMJPOV-UHFFFAOYSA-N 449.507 2.676 0 50 IFAA COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3Cl)CC2)cc1 170626237 IFRJYEUFLGDJAZ-UHFFFAOYSA-N 433.911 2.952 0 50 IFAA CCOC(=O)CS(=O)(=O)c1nc(-c2ncc(C(F)(F)F)cc2Cl)ncc1F 261494948 WSBAORAPKRRBLC-UHFFFAOYSA-N 427.763 2.687 0 50 IFAA Cc1cc(Br)ccc1CC(=O)NS(=O)(=O)c1cccc(-c2nnco2)c1 763018910 QPIGKAAQPCUYSF-UHFFFAOYSA-N 436.287 2.855 0 50 IFAA COc1ccccc1Cc1nc(-c2cc(C3CC3)n(C)n2)n([C@H]2CCS(=O)(=O)C2)n1 1857672681 WWSXTGUHSJZRQY-INIZCTEOSA-N 427.530 2.515 0 50 IFAA CCn1c(=O)oc2cc(S(=O)(=O)N(Cc3nc(-c4cccnc4)no3)C(C)C)ccc21 1875261163 RIDHMSQWCPHCPH-UHFFFAOYSA-N 443.485 2.659 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1CCc2cncn2C1 1875288115 NQUVKCDYXSMNRX-JKSUJKDBSA-N 428.500 2.554 0 50 IFAA CC(=O)CCS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)CCC(C)=O)cc2)cc1 859543 BJNNJLNGLSFXNJ-UHFFFAOYSA-N 438.523 2.985 0 50 IFAA CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 1168173 WZGVSJMLNZMCGG-UHFFFAOYSA-N 440.905 2.930 0 50 IFAA CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 1530749 JSDRRTOADPPCHY-BULFRSBZSA-N 438.524 2.567 0 50 IFAA biogenic,in-vitro O=C(CN1C(=O)c2ccccc2C1=O)NC[C@H]1CCC2(CCN(Cc3ccccc3)CC2)O1 12053988 VYAAXJWTBYONOQ-HXUWFJFHSA-N 447.535 2.613 0 50 IFAA COCCCNC(=O)c1nn(C)c2c1CN(C(=O)c1cc(C)nc3cc(C)cc(C)c13)CC2 14539817 AWYGICFITCZXCX-UHFFFAOYSA-N 449.555 2.858 0 50 IFAA CCN1C(=O)N(CCN(C)C)C(=O)C12CCN([C@@H](C)CCc1ccc(OC)cc1)CC2 14741292 JVJYJIDCTUJAST-IBGZPJMESA-N 430.593 2.697 0 50 IFAA COc1ccc(CCN2C(=O)N[C@@](C)(C3CCN(Cc4nccs4)CC3)C2=O)cc1 14951536 MOLFMEKMVDDHNO-QFIPXVFZSA-N 428.558 2.917 0 50 IFAA COC(=O)CCC(=O)[C@H](C(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)OC 100721938 WOMJYBWJZQOGDK-SFHVURJKSA-N 446.283 2.983 0 50 IFAA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)C1 229425371 DOZZAWFIPAPCLJ-BWJFDKCMSA-N 435.409 2.779 0 50 IFAA CC(C)(C)OC(=O)NC1CCN(C(=O)CC[C@H]2N=C(O)N(Cc3ccccc3)C2=O)CC1 252540186 OVNJLXFDSNNMSP-GOSISDBHSA-N 444.532 2.607 0 50 IFAA COc1ccc(OC[C@@H]2CCCN(C(=O)COc3ccc(N4CCCC4)nn3)C2)cc1 299782572 FUHKLSMYWQGZGG-GOSISDBHSA-N 426.517 2.782 0 50 IFAA CCOc1cc(NC2CCN(C(=O)NCc3ccc(-n4ccnc4)c(F)c3)CC2)ncn1 466574375 PFJCHMQZIXNCSD-UHFFFAOYSA-N 439.495 2.986 0 50 IFAA O=C1N[C@]2(C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)C(=O)N1CN1CCC(c2nnc3ccccn23)CC1 799127572 CEPYNXXPNRDTIV-AUFFKQJYSA-N 434.544 2.613 0 50 IFAA C[C@@H](Nc1cncc(C(=O)NC23CCCC2CCC3)n1)c1cccc(S(N)(=O)=O)c1 1875360808 JOQVBDZLIFHUPW-HXJYWVFZSA-N 429.546 2.750 0 50 IFAA COc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c(OC)c1 652468 NVDULPPBLSYVJS-UHFFFAOYSA-N 428.894 2.771 0 50 IFAA O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CCOCC1 921594 UHDOFEUKNWSEJI-UHFFFAOYSA-N 445.379 2.631 0 50 IFAA O=C1C[C@H](C(=O)NC[C@@H]2CCC3(CCN(Cc4ccncc4)CC3)O2)C2(CCCCC2)O1 11783242 LBXDMBGPHVPZIY-LEWJYISDSA-N 441.572 2.977 0 50 IFAA CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(C(=O)/C=C/c1cnn(C)c1)CC2 11881334 YESCAEBXWVMWIK-XCRVJHMQSA-N 436.556 2.836 0 50 IFAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 11945136 OVIIYDKMDREOKM-ZDUSSCGKSA-N 431.495 2.704 0 50 IFAA CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 18177156 DUSRDYBPHTWTMM-IYBDPMFKSA-N 428.876 2.690 0 50 IFAA Cc1cc(C)n(-c2cccc(-c3cc4c(n(C)c3=O)CCN(C(=O)[C@H]3CCOC3)C4)c2)n1 19148559 QGKXOSFIGIAMGX-IBGZPJMESA-N 432.524 2.776 0 50 IFAA COc1cc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCCC4)cc(OC)c1OC 169749861 SAKWERAIALNLQW-UHFFFAOYSA-N 440.500 2.897 0 50 IFAA CCOc1ccccc1NC(=O)Cn1ccn2nc(-c3ccc(F)cc3)c(CO)c2c1=O 169752456 NIFKKYDGSDKHKL-UHFFFAOYSA-N 436.443 2.832 0 50 IFAA Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 170602472 UWILMXMAWSKSSP-OALUTQOASA-N 446.527 2.810 0 50 IFAA COc1ccc(N2C[C@H](C(=O)N(C)C[C@H]3CCCN4CCCC[C@H]34)CC2=O)c(OC)c1 299754373 DWVWVAORASEINR-QWFCFKBJSA-N 429.561 2.780 0 50 IFAA biogenic COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888088767 QOKAYOKRMUJHRN-HNNXBMFYSA-N 431.876 2.882 0 50 IFAA O=C(c1ccccc1Cl)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857739772 RLLSBMJZYTZBRI-UHFFFAOYSA-N 428.920 2.792 0 50 IFAA Cc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)Nc2cccc3ccccc23)c(C)c1 2325701021 BZCBXTWFUGBYBL-UHFFFAOYSA-N 439.537 2.880 0 50 IFAA CC(C)(C)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)s1 2325896379 XJIAVDQFVXXUPK-QGZVFWFLSA-N 439.537 2.737 0 50 IFAA COC(=O)c1c2ccc(c1C(=O)OC)CCc1ccc(c(C(=O)OC)c1C(=O)OC)CC2 639880 ZUYBKGPVJPHPTM-UHFFFAOYSA-N 440.448 2.717 0 50 IFAA COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1cc(=O)n2ccccc2n1)CCS3 1427157 PHMFKPIAVYAWMS-UHFFFAOYSA-N 431.477 2.522 0 50 IFAA O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CCOCC1 2964764 XUPUBYXKXUFSKR-UHFFFAOYSA-N 439.331 2.503 0 50 IFAA COc1ccc(NC(=O)COc2ccc(CNCCCN3CCOCC3)cc2OC)cc1 8682849 KPULOOJNQVPQCZ-UHFFFAOYSA-N 443.544 2.533 0 50 IFAA O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2nccc(=O)n21 84757336 DJXRIQMCROIRCZ-XOEOCAAJSA-N 444.535 2.766 0 50 IFAA in-man CC1=NS(=O)(=O)N(Cc2ccccc2)C=C1C(=O)OCc1noc(C2CCCC2)n1 169755088 ISAAIVMQCUCUPN-UHFFFAOYSA-N 430.486 2.876 0 50 IFAA O=C(CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1COC2=O)NCc1ccc(F)cc1 169764770 NZZVFCYIRYXWHQ-IBGZPJMESA-N 429.835 2.673 0 50 IFAA CCn1c(COC(=O)c2coc(CC3CC3)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 170615830 WHEZRLKTWVPYOC-UHFFFAOYSA-N 432.502 2.604 0 50 IFAA COC(=O)c1nc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)sc1Cc1ccccc1 206243033 NDLXBFUDLVBLDS-QGZVFWFLSA-N 448.508 2.930 0 50 IFAA Cc1cc(C(=O)N(Cc2ccccc2)Cc2scnc2C)c2c(O)nc(=O)n(C)c2n1 1506399536 OQBAJPBLESJOOV-UHFFFAOYSA-N 435.509 2.950 0 50 IFAA CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(C(=O)c1ccccc1OC)C2 1857703511 SUFFUCVJACXZOS-KHCICDEESA-N 430.545 2.592 0 50 IFAA CNC(=O)c1noc(CN2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)n1 1857707319 NQOBPPNSWNBXSU-FQEVSTJZSA-N 441.576 2.891 0 50 IFAA O=C(NCC[C@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1CCc2nccn2C1 1875287942 HBDNNXKNUYNLNR-JKSUJKDBSA-N 428.500 2.554 0 50 IFAA COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccc(F)cc2)cc1 812351 ZLVJIKZJOLFSED-UHFFFAOYSA-N 429.473 2.741 0 50 IFAA COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1 814613 ZCAPRLMQUVSFTG-UHFFFAOYSA-N 446.569 2.772 0 50 IFAA CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O 982801 UNGMSEROKWRNTH-INIZCTEOSA-N 447.557 2.937 0 50 IFAA CCn1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccncc3)C2)cn1 14733108 NAVFWOXRQOXWKN-NRFANRHFSA-N 425.533 2.501 0 50 IFAA CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC 15019297 PNIOLEBJRSSGDO-UHFFFAOYSA-N 425.942 2.523 0 50 IFAA COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 15942854 OKEMWCRXMSXQIK-GASCZTMLSA-N 443.525 2.553 0 50 IFAA CC(=O)N1CCN(c2nc3cc(C)ccc3cc2CN(C(=O)[C@@H]2CCCO2)C2CC2)CC1 19229028 FNWGGRKQJSCYQW-QHCPKHFHSA-N 436.556 2.882 0 50 IFAA O=S(=O)(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 19373658 YPOOPFMMCRYDPB-OAQYLSRUSA-N 426.538 2.586 0 50 IFAA COc1ccc(CN(C)Cc2ccccc2Cl)cc1OC[C@H](O)CN1CCN(C)CC1 20538636 YUGZWHVTHTXEAS-OAQYLSRUSA-N 448.007 2.968 0 50 IFAA O=C(NCc1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)CC2)[C@@H]1CCOC1 23129082 NHHBVLYHMUBVMY-JOCHJYFZSA-N 431.540 2.656 0 50 IFAA O=C(NCCCOC[C@@H]1CCCO1)NCc1noc(-c2cccc(Br)c2)n1 253425893 WKCRNQINPMBAKH-HNNXBMFYSA-N 439.310 2.884 0 50 IFAA C[C@@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)N2CCN(C3CCCC3)C(=O)C2)on1 299761374 VVESMKKVFSJXQJ-HNNXBMFYSA-N 425.485 2.977 0 50 IFAA O=C1N[C@H](CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)C(=O)N1c1ccccc1 409414631 NOCPZPCCBWYKOU-ADDNNTKRSA-N 448.567 2.923 0 50 IFAA O=C(NC[C@H]1CCCN(CCc2ccccc2)C1)c1ccc(C(=O)N2CCOCC2)cc1 670457479 AVCIHNMMQHYPCP-JOCHJYFZSA-N 435.568 2.844 0 50 IFAA C[C@]1(c2cccc(-c3noc([C@@H]4CC(c5cc(F)ccc5F)=NO4)n3)c2)NC(=O)NC1=O 761936732 WKRBZMSORJPACW-HRAATJIYSA-N 439.378 2.935 0 50 IFAA Cc1nc(CCNC(=O)[C@H]2CC(=O)N(c3nc4ccccc4s3)C2)nc2c1CCCC2 1857739217 NETVXPQNJDIMKC-HNNXBMFYSA-N 435.553 2.985 0 50 IFAA O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)N[C@H]1CCN(Cc2ccccc2)C1=O 1875257139 WMLRLHZMGOLPJF-GOTSBHOMSA-N 448.567 2.711 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F 1119544 QNBRTUCXJWISGU-UHFFFAOYSA-N 425.913 2.594 0 50 IFAA CCn1cc(Cl)c(-c2nnc(SCC(=O)NCC(C)C)n2C[C@H]2CCCO2)n1 2791793 RYSADFCVFMCLMC-CYBMUJFWSA-N 426.974 2.858 0 50 IFAA COc1ccc(OCCSc2nnc(CCNC(=O)c3ccc(OC)cc3)n2C)cc1 2870599 RRGNMTNOCAZBLU-UHFFFAOYSA-N 442.541 2.976 0 50 IFAA O=S(=O)(c1ccccc1Cl)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697602 NFKAZWVROLVSCX-UHFFFAOYSA-N 430.921 2.780 0 50 IFAA Cc1c(C(=O)N(C)C[C@@H]2COCCO2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 12125612 RLYXJFHXELBBHC-LJQANCHMSA-N 433.512 2.614 0 50 IFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2(N3CCCCC3)CCCC2)cc1 12836805 UMEUWCNCOFWTKH-QFIPXVFZSA-N 426.605 2.600 0 50 IFAA CCOC(=O)C1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 16214097 YRIFMJMGWMUSJA-UHFFFAOYSA-N 448.516 2.823 0 50 IFAA CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17100598 SBCLZMFFHNJUSF-UXHICEINSA-N 436.574 2.753 0 50 IFAA COc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 20766515 DGPAOEPZBVKVBW-UHFFFAOYSA-N 437.949 2.684 0 50 IFAA Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCC1(N3CCCCC3)CCCC1)C2 32500612 LKZYMBXMOXWZJV-LJQANCHMSA-N 445.677 2.855 0 50 IFAA CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1 72316335 RHXHGRAEPCAFML-UHFFFAOYSA-N 434.548 2.796 0 50 IFAA fda NS(=O)(=O)c1cccc(NC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 409577400 RRIKPANXNVSXLY-MRXNPFEDSA-N 440.319 2.702 0 50 IFAA O=C(NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H](c1ccccc1)N1CCc2ccccc21 446329200 GCCMANBCTLDTHI-TUUUKBQOSA-N 441.531 2.714 0 50 IFAA CC(=O)N1CCN(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)CC12CCCCC2 498252362 PEZKTMJZNJOWMW-NRFANRHFSA-N 426.561 2.927 0 50 IFAA CN1CCN(c2ccc(C(=O)N[C@H]3COC[C@H]3Cc3ccnc4ccccc34)cc2)CC1 1529095924 ZFHQXRAAIOIRGD-BWKNWUBXSA-N 430.552 2.974 0 50 IFAA COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3cnn[nH]3)C2)c1 1875335932 MPBZQSXPOQNFSP-INIZCTEOSA-N 441.513 2.634 0 50 IFAA O=C1C[C@H]2CCCCN2CCCN(C(=O)c2cnn(Cc3ccccc3)c2)CCCCN1 2100534039 QQMCOGBHMHRKGZ-HSZRJFAPSA-N 437.588 2.918 0 50 IFAA O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)Nc1ccc(-n2cnc3ccccc32)cc1 2325822431 XGUIMEQZVNUSGL-UHFFFAOYSA-N 438.451 2.574 0 50 IFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OC)cc2OC)c(OC)c1 909806 KOOVUCALLPLQCU-FQEVSTJZSA-N 427.457 2.988 0 50 IFAA COc1ccc(CCNC(=S)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1OC 2851171 NVUKOGHAGBATKW-UHFFFAOYSA-N 429.542 2.705 0 50 IFAA CCOC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F 8741819 KYIWLCVIVOVHDH-MISXGVKJSA-N 425.201 2.575 0 50 IFAA CN(Cc1ccno1)C(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 13636574 QDAFGIJCGDKVDF-HSZRJFAPSA-N 432.524 2.656 0 50 IFAA O=C(NCc1cccnc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613402 KLUATSAKDILMJN-UHFFFAOYSA-N 425.913 2.732 0 50 IFAA CCCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1OCC 28629671 OTFYIWDJJXHCOI-QNGOZBTKSA-N 449.532 2.837 0 50 IFAA Cc1ccc([C@H](NC(=O)CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)c2cccs2)cc1 252533186 GEWAGGQZAPNZEM-MUNRUJSPSA-N 442.610 2.801 0 50 IFAA O=C(Nc1cc(C2CCOCC2)[nH]n1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 464276748 BEJRNJTVQHUSPB-UHFFFAOYSA-N 444.488 3.496 0 50 IFAA CCN(CC)[C@@H](CNC(=O)c1ccnc2c(C(N)=O)cnn12)c1ccc(C(F)(F)F)cc1 485965066 DLNMWPXXNWJDOH-KRWDZBQOSA-N 448.449 2.660 0 50 IFAA COC(=O)c1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)[nH]1 498518506 NYSZXDXGKICJKE-IBGZPJMESA-N 426.448 2.957 0 50 IFAA COc1cccc(OC[C@H]2CCCN(C(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)C2)c1 1506408848 QXPJBGDKVNJRQA-KRWDZBQOSA-N 432.542 2.891 0 50 IFAA CC(C)c1ccc(Cn2[nH]cc/c2=N\C(=O)COC(=O)c2ccn(-c3ccncc3)n2)cc1 1875265166 ZLAZPWZDLWOCJI-HPNDGRJYSA-N 444.495 2.853 0 50 IFAA Cc1nccc2c(S(=O)(=O)NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cccc12 2325819514 HPURNXSTQDAYSV-SJLPKXTDSA-N 437.521 2.958 0 50 IFAA C[C@@H]1Cc2ccccc2[C@@H](C)N1C(=O)Nc1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325901700 UNWMLKFGCRKYNB-VTJXTGGHSA-N 446.507 2.987 0 50 IFAA COC(=O)c1ccc(CNC(=O)CC[C@]2(Cc3ccc(F)c(OC)c3)CCC(=O)N2)cc1 12185005 OHYZCUJUIVUBCR-XMMPIXPASA-N 442.487 2.909 0 50 IFAA CCOC(=O)CN(C)Cc1ccc2c(NC(=O)c3ccoc3)c(C(=O)OC)sc2n1 39437066 ZNTLDUDRDZUVBP-UHFFFAOYSA-N 431.470 2.923 0 50 IFAA COc1ccc(CN(C)CCCN(C)C)cc1OC[C@@H](O)CN(C)Cc1ccccc1 55073871 IEHREFGSWHCIKG-QHCPKHFHSA-N 429.605 2.950 0 50 IFAA Cc1ccc(S(=O)(=O)N2C[C@@H](c3cccc(Br)c3)C(C(=O)[C@H]3CO3)=N2)cc1 239433600 YCFBQVVNYQQKNC-DLBZAZTESA-N 449.326 2.870 0 50 IFAA COc1ccc(OC)c(CN2CCN(S(=O)(=O)C[C@H](C)COC3CCCC3)CC2)c1 253392713 VYCAKRIVBNWTOL-GOSISDBHSA-N 440.606 2.747 0 50 IFAA CN(CCc1ccc(NS(C)(=O)=O)cc1)C(=O)c1cc(-c2ccc(F)cc2)nn1C 2325822761 NJBZTDWISYYWPE-UHFFFAOYSA-N 430.505 2.912 0 50 IFAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccnc1 802902 ABLOCDDPSLNZIK-UHFFFAOYSA-N 443.456 2.826 0 50 IFAA O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 854328 JYWLFTULLFWSDT-UHFFFAOYSA-N 429.542 2.950 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 904549 XUQWAMVYMTYUCB-CQSZACIVSA-N 442.522 2.936 0 50 IFAA COc1ccc(CN(C)Cc2cnn(C)c2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12304379 PYXXSYLPQHYICC-HSZRJFAPSA-N 438.572 2.932 0 50 IFAA COc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)c1 13471009 XIYKTBDAZOKWSU-CQSZACIVSA-N 448.566 2.805 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2-c1cccc(OC)c1 20345164 PPWGHWFIDXWFMW-UHFFFAOYSA-N 449.438 2.838 0 50 IFAA O=C1NCCN(Cc2ccccc2F)[C@@H]1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 55042338 IYGNRRSTKOUBED-OAQYLSRUSA-N 444.938 2.518 0 50 IFAA C[C@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 252346981 ODIVOGBZXBNPLY-CIXPEYCDSA-N 446.503 2.839 0 50 IFAA O=C(NC1CCN(Cc2nnn3c2CO[C@H](c2ccccc2F)C3)CC1)C1CCCC1 263615065 AJURZMVWIIELRU-QFIPXVFZSA-N 427.524 2.960 0 50 IFAA Cc1cc(CN(C)C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(Cc3cccnc3)C2=O)n[nH]1 299761304 UZZLQFXOSXNZMW-VWLOTQADSA-N 445.523 2.667 0 50 IFAA CC(=O)Nc1cc(NC(=O)C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)ccc1F 441933840 MPAFAOVUNXKEDS-KUHUBIRLSA-N 432.521 2.983 0 50 IFAA CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H](O)c3ccc(Cl)cc3F)cc2)CC1 813473308 GSXZBOUFTQQHKZ-NRFANRHFSA-N 433.911 2.858 0 50 IFAA O=C(CCSc1nnc(-c2ccncc2)o1)N1CCC([C@H](O)c2ccccn2)CC1 828599381 PTWWEMRBPRBNPB-IBGZPJMESA-N 425.514 2.981 0 50 IFAA Cc1ncc2n1C[C@H](C(=O)NCC[C@@H]1CN(c3ncnc4n[nH]cc34)c3ccccc31)CC2 1875288213 SKSLTTKUUYGBBO-IAGOWNOFSA-N 442.527 2.862 0 50 IFAA C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2nccc3nccnc23)C1=O 1875362096 QZLAKXGJWVFUKD-HSZRJFAPSA-N 426.436 2.584 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)C2CC(c3ccccc3)C2)CC1=O 2325819922 VCCAIGUDQNUHKQ-QGZBPCDMSA-N 426.538 2.988 0 50 IFAA COc1cc(C=O)cc(I)c1OCC(=O)NCc1ccccc1 2760308 ZLELEQWWTUGASW-UHFFFAOYSA-N 425.222 2.808 0 50 IFAA COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC(C)C)cc(Br)c1O 4113595 DDFHHBJHPJDSKX-HNNXBMFYSA-N 443.294 2.759 0 50 IFAA biogenic,in-vitro COc1ccc(C)cc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1 6021173 JGBFKEAXBZFQRZ-UHFFFAOYSA-N 425.510 2.910 0 50 IFAA COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)CCc3cnccn3)C2)c(OC)c1 12430393 ALXIHBMICSLFQT-GOSISDBHSA-N 440.544 2.762 0 50 IFAA CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(CO)o1)CC2 14538627 CBEVCPSRQWZHJB-UHFFFAOYSA-N 426.517 2.622 0 50 IFAA Cn1cc(CN2C[C@@H](OCc3ccncc3)CN(Cc3cc4ccccc4[nH]3)CC2=O)cn1 14746788 FXGAVCBNJQELPU-QHCPKHFHSA-N 444.539 2.726 0 50 IFAA CCS(=O)(=O)c1ncc(CN(C)CCc2cnn(C)c2)n1CCCc1ccccc1 19594818 VKVKMDAAORCSLE-UHFFFAOYSA-N 429.590 2.718 0 50 IFAA CCN(CC)[C@H]1CCN(Cc2cnc(S(=O)(=O)C3CCCCCC3)n2CCOC)C1 19744849 XWXMTZKWLSMLGZ-IBGZPJMESA-N 440.654 2.942 0 50 IFAA COc1ccc([C@H]2Cn3nnc(CN4CCN(C(=O)CC5CCCC5)CC4)c3CO2)cc1 263615184 BAONWEQZBQIMJD-HSZRJFAPSA-N 439.560 2.783 0 50 IFAA N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3nn(-c4ccc(F)c(F)c4)c4c3CCC4)C2)C1 1775988978 WTOQATJRSBTDGU-PZPWOCDFSA-N 430.499 2.998 0 50 IFAA COc1ccccc1/N=c1\scc(-c2cnn(C)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1875255800 PUGJVBUWIVKAGH-DLTPIXJPSA-N 426.546 2.845 0 50 IFAA CSc1ccc(CNC(=O)c2ccc(Cn3cc(COCC(=O)O)nn3)cc2)s1 1875354487 XSQNYFJAWISQGG-UHFFFAOYSA-N 432.527 2.641 0 50 IFAA Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)OCC(=O)Nc1cnc2ccccc2c1 1875359079 TUZZWHOMBWWKSU-UHFFFAOYSA-N 425.445 2.533 0 50 IFAA NC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1[C@H]2Cc1cccc(F)c1 2356159158 OMOXTIIUZYCFSY-NQOGSSOHSA-N 428.552 2.613 0 50 IFAA C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(I)cc1 1072733 CUVLCYRNUQMLMS-SNVBAGLBSA-N 448.257 2.736 0 50 IFAA COc1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2cccn2)cc1OCC1(C)COC1 11813598 MARCUQXNNGRECL-IBGZPJMESA-N 429.517 2.515 0 50 IFAA CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 12382663 XWHPBSNTIKLWKV-UHFFFAOYSA-N 440.905 2.815 0 50 IFAA CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)[C@H]1CCCN(c2ccccn2)C1 12761844 MQXZMAMUULHEDG-QFIPXVFZSA-N 427.637 2.953 0 50 IFAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@@H](C)CSC)CC2 14531904 SOWPEYVPLLWVHE-SFHVURJKSA-N 434.606 2.511 0 50 IFAA COC(=O)C1=CC[C@@]23CC[C@H]([C@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@@]3(OC(C)=O)CC1 100013486 VDGOFNMYZYBUDT-GRWCMIMZSA-N 432.469 2.871 0 50 IFAA in-vitro CC(C)(C)NS(=O)(=O)c1ccccc1CNc1ccc2nnc(C(F)(F)F)n2n1 301132096 WBDVCWIXOTUPLV-UHFFFAOYSA-N 428.440 2.832 0 50 IFAA CC[C@H]1CCc2sc(C(=O)NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)cc2C1 2325732282 HXWLTOADQGOKHQ-ZDUSSCGKSA-N 446.550 2.619 0 50 IFAA NC(=O)c1ccc2[nH]cc(C3CCN(C(=O)N[C@@H]4CCN(c5ccccn5)C4)CC3)c2c1 2325736691 HJFHPSYNTPMRKG-GOSISDBHSA-N 432.528 2.830 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)C[C@@H]2C[C@H]2Cc2ccccc2)CC1=O 2325820031 YIBXNTFYTPIUOE-CIQXWFTPSA-N 440.565 2.921 0 50 IFAA O=C(c1cc2ccccc2o1)N1CC[C@@H]2CCN(C(=O)C3(C(=O)NC4CC4)CC3)C[C@H]2C1 2325825005 YZZRYIXVJOWCMY-SJLPKXTDSA-N 435.524 2.802 0 50 IFAA Cc1ccc(CO[C@H](C)C(=O)N2CC(C)(NC(=O)c3sc(N(C)C)nc3C)C2)cc1 2325828301 DFIYYLXRKZLROH-MRXNPFEDSA-N 430.574 2.762 0 50 IFAA O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1 1838582 CUUYJTJWKIONBU-UHFFFAOYSA-N 431.444 2.991 0 50 IFAA aggregator COC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 9327502 AJWFRQVMEXGNTC-PRWBYUBPSA-N 433.533 2.927 0 50 IFAA CC(C)NC(=O)c1cn(C2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)nn1 14993177 GKJFYXHCRFLEAI-UHFFFAOYSA-N 438.557 2.946 0 50 IFAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CN2C(=O)CSC2=O)cc1 19336350 ZMEFBADLAVEONH-INIZCTEOSA-N 428.514 2.706 0 50 IFAA Cc1cc(OCC(=O)NCCNC(=O)c2nc(-c3cccs3)no2)cc(C)c1Cl 20352292 OXJJMVAJSPQUFJ-UHFFFAOYSA-N 434.905 2.993 0 50 IFAA O=C(c1ccncc1)N(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H]1CCCO1 20992250 VDEHFFDMBHVKJN-QHCPKHFHSA-N 425.529 2.614 0 50 IFAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 67772877 LNXNBRJEYGOPPC-CQSZACIVSA-N 426.496 2.967 0 50 IFAA Cc1oc(-c2ccccc2NS(=O)(=O)N(C)C)nc1CNC(=O)Cc1cccs1 299757433 JMSDCCJLGMOTRZ-UHFFFAOYSA-N 434.543 2.789 0 50 IFAA Cc1nc2ccc(CC(=O)N3CCCCNC(=O)C[C@H]4CCCCN4CCC3)cc2[nH]1 2100533318 KEDYGQWORRLRPX-HXUWFJFHSA-N 425.577 2.787 0 50 IFAA COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@H]2OC(=O)CN2CCN(C)CC2)cc1 638704 OZMYBGOTPNDMQV-VXKWHMMOSA-N 441.553 2.640 0 50 IFAA CCCS(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 1124295 UPUBCZPFJZNDLG-UHFFFAOYSA-N 445.946 2.545 0 50 IFAA COCc1nnc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 9199103 QWFZROZEUYVMCE-LBPRGKRZSA-N 433.921 2.849 0 50 IFAA COc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc3ccccc3c2)c(OC)c1 12481004 OQLBXCNDNWQUDD-QHCPKHFHSA-N 447.535 2.864 0 50 IFAA CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 20386465 DGAQVWONZNMJCP-UHFFFAOYSA-N 429.586 2.607 0 50 IFAA Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)NC(C)(C)CCN1CCN(C)CC1 170598139 QRNTUWLEBDHYHH-UHFFFAOYSA-N 447.649 2.722 0 50 IFAA COc1ccccc1CCN1C[C@H](C(=O)N(C)C[C@@H]2CCCN3CCCC[C@H]23)CC1=O 253413713 VNFOMMRINDCVPS-BHDDXSALSA-N 427.589 2.809 0 50 IFAA biogenic COc1ccc(C(=O)Nc2cc3c(N4C[C@H](C)O[C@@H](C)C4)ncnc3nc2O)cc1OC 390834829 FXBZQUSHUJWAPN-STQMWFEESA-N 439.472 2.614 0 50 IFAA O=C1[C@H](Sc2nnnn2[C@H]2CCOC2)CCCN1Cc1cccc(C(F)(F)F)c1 2325843323 BKDILTDEJIDYQA-LSDHHAIUSA-N 427.452 2.937 0 50 IFAA COc1c[nH]c(C(=O)N[C@H](c2ccccc2)[C@@H](C)NC(=O)C[C@@H]2C[C@H]3C=C[C@H]2C3)cc1=O 2325876509 XYBRCLPJQBIZOG-SSYUZMQTSA-N 435.524 2.962 0 50 IFAA CCOc1ccccc1N(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccccc1 803352 SWKYPDFEBFTXGT-UHFFFAOYSA-N 425.510 2.992 0 50 IFAA COc1cccc(CN2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1OC 12020250 JVEXKCDWOKLDDX-LJQANCHMSA-N 442.560 2.689 0 50 IFAA O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCC2(CCN(Cc3ccccc3)CC2)O1 12053986 VYAAXJWTBYONOQ-FQEVSTJZSA-N 447.535 2.613 0 50 IFAA CN(CCn1ccnc1)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn12 15066947 JRQNMJASUNJPDW-UHFFFAOYSA-N 449.603 2.753 0 50 IFAA c1cc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c2nonc2c1 19790934 JDLQKRVLWQNOBI-HXUWFJFHSA-N 435.528 2.734 0 50 IFAA O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 19791170 ATYYXEKQUDFFID-RMKNXTFCSA-N 439.581 2.942 0 50 IFAA COc1cccc(C[C@@]2(CO)CCCN(C(=O)C3(N4CCOCC4)CCCCC3)C2)c1 82039308 ZAAQKBORARPMKS-DEOSSOPVSA-N 430.589 2.874 0 50 IFAA COc1ccccc1NC(=O)COc1ccc(C(=O)N2CC[C@@H](O)C2(C)C)cc1OC 242302254 YQVSPLBTJYUMOA-HXUWFJFHSA-N 428.485 2.707 0 50 IFAA CSCC[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 247518385 KPOPCGXMTXIMLO-NJDAHSKKSA-N 443.613 2.628 0 50 IFAA CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCC23CC4CC(CC(C4)C2)C3)CC1 727843743 RFSFYESUGABRSF-UHFFFAOYSA-N 446.617 2.643 0 50 IFAA O=C(O)c1ccccc1CCNS(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 776615065 UAYFXRWVQRECGQ-IBGZPJMESA-N 446.525 2.648 0 50 IFAA CC(=O)N1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc(C)c(C)c2)C1 1857667553 QERFHYIQVKFOPP-GIFXNVAJSA-N 427.589 2.659 0 50 IFAA COc1cccc(F)c1CN1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 2100545434 VDKGPZSLMCJSNE-UHFFFAOYSA-N 428.508 2.647 0 50 IFAA Cc1c(NC(=S)NC(=O)c2ccc(Br)o2)c(=O)n(-c2ccccc2)n1C 1147770 VDIKITJHODAPDS-UHFFFAOYSA-N 435.303 2.967 0 50 IFAA CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)OCCOC)CCCC3)n(C)n1 2730574 LBODGVSNPKGVEI-UHFFFAOYSA-N 435.502 2.593 0 50 IFAA COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)Cn1nc2ccccc2n1 11767930 LIRZYXDCLOCGRY-HXUWFJFHSA-N 447.583 2.786 0 50 IFAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CN(C)CCC3CCOCC3)c2)CC1 12385678 LCORQBRLBSIMAD-QHCPKHFHSA-N 448.604 2.560 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)N(C)Cc2ccsc2)(c2ccccc2OC)C1=O 14880610 DJAHCDUYDTUWKI-QHCPKHFHSA-N 444.553 2.839 0 50 IFAA O=C(NC[C@@H]1CCC2(CCN(Cc3ccc4nsnc4c3)CC2)O1)C1CCOCC1 14888904 GFJATGMDYYYFLA-SFHVURJKSA-N 430.574 2.748 0 50 IFAA CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1)S(C)(=O)=O 16651540 TXECDNZZNHZAIA-GOSISDBHSA-N 445.541 2.634 0 50 IFAA C[C@@H]1CCc2c(sc(NC(=O)CSCC(=O)O)c2C(=O)NCc2cccnc2)C1 17098521 DFWKXKREQGJVBM-GFCCVEGCSA-N 433.555 2.954 0 50 IFAA COc1ccccc1CN1CCC(NC(=O)COc2ccc(N3CCCC3=O)cc2)CC1 170649072 LNZLVOYNVBVUTI-UHFFFAOYSA-N 437.540 2.982 0 50 IFAA CCS(=O)(=O)Nc1cccc(N2CCC(NCc3ccc(C(=O)OC)cc3)CC2)c1 299788126 VKMGZSLYSMIVPC-UHFFFAOYSA-N 431.558 2.993 0 50 IFAA CCn1cc(C(=O)N2CCCC[C@H]2c2nc(CCOC)no2)c(=O)c2ccc(C)nc21 952972470 PSDNQLBAGRLKQJ-KRWDZBQOSA-N 425.489 2.664 0 50 IFAA COCCNc1nc(O)c2c(n1)NC(=O)[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)C2 1848443026 SHHPAFGIMXARHQ-SECBINFHSA-N 440.287 2.687 0 50 IFAA O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC(Cc2ccccc2)CC1 3203377 LDAWNLRYLIADHF-UHFFFAOYSA-N 428.554 2.802 0 50 IFAA CN(C)CCN1C(=O)C[C@](CC(=O)N(C)C(C2CC2)C2CC2)(c2ccccc2Cl)C1=O 11814163 MRXAIAAYULANSP-XMMPIXPASA-N 445.991 2.935 0 50 IFAA COc1cccc(CNCCn2ccc3ccccc32)c1OC[C@@H](O)CN1CCOCC1 11938514 CMPPOQZOFSGKHH-QFIPXVFZSA-N 439.556 2.512 0 50 IFAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCCc3ccccc3)cc2)CC1 12835381 NJFYINIUYJUJSA-HSZRJFAPSA-N 426.557 2.644 0 50 IFAA O=C(CCn1cncn1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 14971139 UUWFCNSFLLKWGK-DEOSSOPVSA-N 437.588 2.555 0 50 IFAA COCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)CC1 19798891 BNXYLUBSADDROV-UHFFFAOYSA-N 438.557 2.672 0 50 IFAA COc1ccc([C@H](CNC(=O)N2CCN(C3CCOCC3)CC2)N2CCCCC2)cc1 475978144 RVHMCWJRNCRAKM-QHCPKHFHSA-N 430.593 2.728 0 50 IFAA O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CC[C@@H](N2CCCC2=O)C1 481266031 OJLFSFWWUWCQFE-MRXNPFEDSA-N 425.489 2.972 0 50 IFAA CCC1(C(=O)O)CCN(S(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 776701632 TWBOJTRNHXJSNT-SFHVURJKSA-N 438.546 2.694 0 50 IFAA COc1cccc(CN2C[C@H]3CN(S(=O)(=O)c4ccc(Cl)s4)C[C@@]3(CO)C2)c1 1772808402 PCHDEYDISGTNAL-HNAYVOBHSA-N 442.990 2.525 0 50 IFAA Cn1ccnc1[C@@](O)(CCNC(=O)c1cccn1-c1ncccc1Cl)C(F)(F)F 1875258598 QSCFFBIYQIYNPY-KRWDZBQOSA-N 427.814 2.829 0 50 IFAA CCOC(=O)[C@@H](NC(=O)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1)c1ccc(Cl)cc1 1875306235 YDXICBDXBACRHR-RDJZCZTQSA-N 440.924 2.944 0 50 IFAA CC[C@](C)(O)c1cn(Cc2cccc(C(=O)N[C@H](C(=O)O)c3ccc(F)c(C)c3)c2)nn1 1875354009 OAQMJBWQALXXHN-REWPJTCUSA-N 440.475 2.947 0 50 IFAA O[C@H]1CC[C@@H](O)[C@H]2CC[C@H]1N2c1ncc(C(F)(F)F)cc1I 2325780141 JZGAIISYYHEZHA-KKOKHZNYSA-N 428.192 2.558 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2cnc3ccsc3c2)CC1=O 2325819860 SJHDCGQDOFNLSP-ZFWWWQNUSA-N 429.523 2.711 0 50 IFAA COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1 893869 ZUSPMSYSISNNQF-UHFFFAOYSA-N 425.510 2.910 0 50 IFAA COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 1077538 TZLBTEYBQWCAFD-UHFFFAOYSA-N 432.498 2.772 0 50 IFAA COc1cccc(CN2C(=O)N[C@](C)(C3CCN(C(=O)/C=C/C(C)C)CC3)C2=O)c1OC 11782204 RVWFRPDXOIOGKS-HBRDYDSTSA-N 443.544 2.965 0 50 IFAA CC(C)N(Cc1cnn(C)c1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 12200156 FUJRKYHGAYXWKD-QHCPKHFHSA-N 433.556 2.701 0 50 IFAA C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2 20450400 RNMSZEHWYSKMAR-CQSZACIVSA-N 435.931 2.733 0 50 IFAA O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 36254158 MKBRGEBYRLODMX-UHFFFAOYSA-N 443.447 2.530 0 50 IFAA CN(C)CCOc1ccccc1N1CCN(C(=O)c2ccc3c(c2)OC(F)(F)O3)CC1 1435214884 XWSXHGSNBSXMFU-UHFFFAOYSA-N 433.455 2.911 0 50 IFAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(C(=O)C2Cc3ccccc3C2)CCCN1 1875242378 PIKZZCURGOJOLV-OAQYLSRUSA-N 447.579 2.820 0 50 IFAA COc1ccc(OC)c(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 857916 LCPXKFZUXXCEBQ-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA CCN1C(=O)N[C@H](c2cc(I)c(O)c(OC)c2)C(C(=O)OC)=C1C 1074538 GQNNYLZUPVQPJZ-CYBMUJFWSA-N 446.241 2.539 0 50 IFAA COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnsn2)cc1OCC1(C)COC1 14878860 LMGGRSSWTXTUOM-INIZCTEOSA-N 433.530 2.783 0 50 IFAA O=CN1CCCN(C(=O)CCN2Cc3ccccc3O[C@H](c3ccccc3F)C2)CC1 14879319 GUQNWUOOFBJVBY-QHCPKHFHSA-N 425.504 2.842 0 50 IFAA COC(=O)c1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)cc1 16401022 SMEFJBOUVOTWJA-LJQANCHMSA-N 441.509 2.922 0 50 IFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)n1 67602094 WXXOLPKQGCRCRW-UHFFFAOYSA-N 443.983 2.853 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(-n3nccn3)cc2)cc1 1875254469 XMNOSWQEFQZYRM-HXUWFJFHSA-N 425.514 2.758 0 50 IFAA CC(=O)N[C@H](CC(=O)N[C@](C)(CO)COc1ccccc1)c1ccc(Br)cc1 1875344767 ONJIGROJGJJEHC-TZIWHRDSSA-N 449.345 2.963 0 50 IFAA COc1ccc2[nH]nc(C(=O)Nc3ccc4oc(=O)n(CC(=O)N5CCCCC5)c4c3)c2c1 2325839751 DFAWIKPWFDXPOO-UHFFFAOYSA-N 449.467 2.744 0 50 IFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)cc2OC)c(OC)c1 909804 KOOVUCALLPLQCU-HXUWFJFHSA-N 427.457 2.988 0 50 IFAA COc1ccc(Cl)c(Cn2c(NC3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)c1 1070031 DWBUXSFJQBTANJ-UHFFFAOYSA-N 431.924 2.889 0 50 IFAA O=C(CSc1nsc(SCC(=O)Nc2nccs2)n1)Nc1nccs1 2383725 QORZDQJGESFONX-UHFFFAOYSA-N 430.587 2.913 0 50 IFAA COc1cccc(CCC(=O)N2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)c1 12710717 MVIAVDQSCPKDAH-SFHVURJKSA-N 426.517 2.663 0 50 IFAA COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(Cc3ccco3)CC2)C1=O 14538350 CGIAJZLXKMGQBY-UHFFFAOYSA-N 441.528 2.776 0 50 IFAA COCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C(C)C)CC1 15002136 VSEMHPVYWCDOTG-UHFFFAOYSA-N 440.573 2.918 0 50 IFAA COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(I)c2)cc1 16216645 BPUWXHNAQYDYKX-UHFFFAOYSA-N 447.294 2.829 0 50 IFAA O=C(NCC1(O)CCCCC1)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 20906130 HTTBXEYMNXXDOP-JXMROGBWSA-N 438.572 2.931 0 50 IFAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@@H]1CCCN12 136635654 RMUNWQPYCXCXOC-MSZDEVHKSA-N 443.503 2.735 0 50 IFAA CC[C@@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CCN1Cc1ccccc1 170595194 AJNYFPKKAZQJMR-MRXNPFEDSA-N 434.334 2.895 0 50 IFAA CC(C)(C)OC(=O)N1CCN(CCN2CCC(NC(=O)NC3CCCCC3)CC2)CC1 170607476 RBRBAVSTWXFCTG-UHFFFAOYSA-N 437.629 2.635 0 50 IFAA C[C@@H]1[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)CCN2CCCS2(=O)=O)CCC[C@H]1C 248170776 VXTORAWHPUQEOC-AOIWGVFYSA-N 436.574 2.994 0 50 IFAA CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]1[C@H]1CCCN12 248380892 RMUNWQPYCXCXOC-QILISPFLSA-N 443.503 2.735 0 50 IFAA C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)cc1 252585130 GJQWOFWQNXMFMM-WSTZPKSXSA-N 427.545 2.692 0 50 IFAA Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)n[nH]4)o3)C2)n[nH]1 1506399011 VVISNMZZOVQNJJ-SNVBAGLBSA-N 430.412 2.683 0 50 IFAA O=C(CCn1cnc2ccccc2c1=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529133144 DUADXPJRGMRPSK-JPYJTQIMSA-N 428.492 2.709 0 50 IFAA COc1ccc2[nH]c(=O)c(C(=O)N[C@@H](C)c3cccc(N4CCCS4(=O)=O)c3)cc2c1 1875254272 LUNMHVSIPIAAQG-AWEZNQCLSA-N 441.509 2.568 0 50 IFAA COc1cccc(CO[C@H](C)C(=O)Nc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c1 1875254576 JUWYPOLDZFEMCU-XLIONFOSSA-N 425.529 2.936 0 50 IFAA Cc1nn(C[C@@H](O)Cn2c3c(c4ccccc42)CCN(C)C3=O)c(C)c1Br 644333 OUTRNROAVINECG-AWEZNQCLSA-N 431.334 2.906 0 50 IFAA biogenic CN(Cc1cccc2cnccc12)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 12456892 ZINWTDJDVSIZIM-OAQYLSRUSA-N 438.478 2.862 0 50 IFAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(Cc1ccc3c(c1)OCCO3)CC2 14753350 OUPZVDOUULQBKK-UHFFFAOYSA-N 432.524 2.963 0 50 IFAA O=C1CC[C@H](C(=O)N2CCCN(Cc3ccncc3)CC2)CN1CCc1cccc(F)c1 15074740 XMWZAMAKPOCDME-QFIPXVFZSA-N 438.547 2.736 0 50 IFAA O=C(CC[C@H]1CCCN(C(=O)c2csnn2)C1)N1CCN(Cc2ccccc2)CC1 19337100 IULBSERRJDPCBM-LJQANCHMSA-N 427.574 2.515 0 50 IFAA O=C(c1ccc(=O)[nH]c1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@@H]1CCCO1 20209836 UXEBKNWKZPJCAA-DEOSSOPVSA-N 435.568 2.876 0 50 IFAA CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1 100082432 JGSSJLAZAZTHQB-MFJULSPGSA-N 447.535 2.826 0 50 IFAA CN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)S(=O)(=O)c1ccc(Br)cc1 225505136 BCXUQAXXBJWNGF-LLVKDONJSA-N 443.285 2.871 0 50 IFAA COc1cccc(C[C@H](C(=O)Nc2ccc(N3CCOCC3)c(C)c2)n2nnnc2C)c1 225573608 BIWRZTMPTOOQMU-JOCHJYFZSA-N 436.516 2.558 0 50 IFAA O=C1CCOC2(CCN(c3ncccn3)CC2)CN1Cc1cc2c(cc1Cl)OCO2 1704313878 MNBBLCNFQKQYTR-UHFFFAOYSA-N 430.892 2.647 0 50 IFAA Cc1c(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)cnn1C 1857698977 CRSUIFFUPHXAHG-NRFANRHFSA-N 446.617 2.989 0 50 IFAA CC(C)NC(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1 1875259830 DDPLMECWPFRFIB-FOIQADDNSA-N 443.525 2.588 0 50 IFAA CN(C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)[C@@H]1CS(=O)(=O)C[C@H]1O 2325823180 IXGJHKDGYAMHAG-WOJBJXKFSA-N 448.491 2.662 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccccc2OC)cc1 785327 LHJXNZFAMRALBC-UHFFFAOYSA-N 441.509 2.611 0 50 IFAA CC(C)Cn1c(CN(CCO)Cc2cccs2)cnc1S(=O)(=O)C[C@@H]1CCCO1 11753960 RJGUOBBXBXOKTR-SFHVURJKSA-N 441.619 2.548 0 50 IFAA COc1cc(C[C@@]2(CCC(=O)N(C)CCc3c(C)n[nH]c3C)CCC(=O)N2)ccc1F 14994525 JHLDKBGITFQBNI-QHCPKHFHSA-N 430.524 2.847 0 50 IFAA COCc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 55308628 UQTYNPIPNPYWAD-UHFFFAOYSA-N 446.555 2.741 0 50 IFAA Cn1c([C@H](Cc2ccccc2)NC(=O)CCCNC(=O)c2cnccn2)nc2ccccc21 252488958 JCUAXNKSWFGDGJ-FQEVSTJZSA-N 442.523 2.974 0 50 IFAA COC(=O)c1cc(CNC(=O)C2CC2)cc(NS(=O)(=O)c2cccc3cccnc23)c1 299763937 ZEAMNMLOMZQHKZ-UHFFFAOYSA-N 439.493 2.848 0 50 IFAA COCc1c(C(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)cnn1-c1ccccc1 467513649 OCLXZTUWDYGRDQ-MRXNPFEDSA-N 426.904 2.746 0 50 IFAA COC(=O)[C@H](CSC)NC(=O)c1ccc(Oc2ccc(CN)cc2OC)c(OC)c1 1857687719 AZHYZBNZVBDGKX-HNNXBMFYSA-N 434.514 2.589 0 50 IFAA CCOCCO[C@@H](C)C(=O)N[C@@H](c1cn(-c2cnccc2C(=O)O)nn1)C1CCCCC1 1875356377 UVKVOUKPJMAAGL-MGPUTAFESA-N 445.520 2.540 0 50 IFAA Cc1c(C(=O)N=[S@@](C)(=O)C2CCN(C(=O)Cc3ccoc3)CC2)ccc2cncn12 2332238944 QXQRHQVDIVDMKV-PMERELPUSA-N 428.514 2.707 0 50 IFAA O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccco1 803385 IMMOQPIYQCXICT-UHFFFAOYSA-N 428.466 2.563 0 50 IFAA NS(=O)(=O)c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 1123693 XQVXENIODSGHEK-UHFFFAOYSA-N 425.535 2.979 0 50 IFAA COC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 2857969 QPECMHJHTBYITL-UHFFFAOYSA-N 426.878 2.540 0 50 IFAA CCOC(=O)N1CCC(N2CCC3(CC2)C[C@H]3C(=O)NCCCc2ccncc2)CC1 12242764 JRBBJZSLVVKTFO-NRFANRHFSA-N 428.577 2.853 0 50 IFAA CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(C(=O)OC)cc1)CCO2 12453098 JELYRQXUOARWKS-JOCHJYFZSA-N 437.540 2.578 0 50 IFAA CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O 15721570 CNUJKNMOGSRQMN-GJZGRUSLSA-N 443.541 2.650 0 50 IFAA in-vitro COC(=O)c1ccc(CN2CC[C@H](N3CCN(Cc4ccccn4)CC3)CCC2=O)cc1 19812553 ZICSSSRQHOEREJ-HSZRJFAPSA-N 436.556 2.567 0 50 IFAA COc1ccc(NC(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c(OC)c1 65362914 HXMDWSBGPYVOLD-UHFFFAOYSA-N 437.504 2.650 0 50 IFAA CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 221977863 JPLZGMGLGQNBBQ-FDFHNCONSA-N 428.573 2.903 0 50 IFAA CC(=O)N[C@@H]1[C@H](Oc2ccc3ccccc3c2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]1O 250763600 XCMZMJFBJIDKSB-YDBZGQDJSA-N 435.476 2.923 0 50 IFAA O=C(NCc1ccccn1)[C@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C[C@@]23C=C[C@H]1O3 252346999 PZFATHDPBKJXOJ-IKVWTGGYSA-N 429.398 2.703 0 50 IFAA O=C(O)Cc1ccccc1NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 408513377 QNPMWCXOSNVXQJ-UHFFFAOYSA-N 426.288 2.630 0 50 IFAA O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC[C@]2(CCCc3ccccc32)C1 440003069 OJZDSTYTCWHUCM-XMMPIXPASA-N 431.544 2.632 0 50 IFAA COc1cccc([C@@H](CNC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)N(C)C)c1 447125407 MDPJZKCUHOTJGZ-RBUKOAKNSA-N 432.471 2.681 0 50 IFAA COc1cc2c(cc1CN[C@H]1C3CN4CCN(C3)CC1(c1ccccc1)C4)OCCCO2 952971531 SLGBONOICFUBLO-FQKSQLJCSA-N 435.568 2.514 0 50 IFAA CS(=O)(=O)c1cc(S(=O)(=O)NC[C@H](O)c2cccc3ccccc23)c(Cl)s1 1475482559 HLZVSHJGVISDPH-AWEZNQCLSA-N 445.971 2.970 0 50 IFAA CC1(C)Oc2cc(Br)c(CNC(=O)Cn3ncc(=O)c4ccccc43)cc2O1 2325818600 MFZZYFQSBWPROE-UHFFFAOYSA-N 444.285 2.983 0 50 IFAA C[C@@H]1C[C@@H](C(=O)N=[S@@](C)(=O)C2CCN(C(=O)c3cnc(CC4CC4)s3)CC2)CO1 2332238783 KYVRFCJJYGVYJQ-IWZUZTOOSA-N 439.603 2.750 0 50 IFAA COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(OC)cc2OC)c1 909904 VOHJKQMCMRGWHH-FQEVSTJZSA-N 427.457 2.988 0 50 IFAA CNC(=O)COc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1 1112649 LVZGPVZGQYGWFU-UHFFFAOYSA-N 442.475 2.978 0 50 IFAA COc1ccc(CCNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1OC 9684393 HOWDPVZGGADVLJ-UHFFFAOYSA-N 449.573 2.796 0 50 IFAA COc1ccc(C(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)c(OC)c1OC 12004220 XIMZJFNCYZDEBJ-UHFFFAOYSA-N 428.489 2.735 0 50 IFAA CC[C@@H](Sc1nnc(CC(=O)Nc2ccccc2OC)n1C)C(=O)NC1CCCC1 13956498 XGWAAPCALJKTAP-QGZVFWFLSA-N 431.562 2.934 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1 15919220 BMVUIHPQUNWBEZ-UHFFFAOYSA-N 431.514 2.710 0 50 IFAA COc1cccc(OC(=O)C[C@@H]2CS(=O)(=O)C[C@@H]2CC(=O)Oc2cccc(OC)c2)c1 22341540 CYGXDVCZKDLEOB-IYBDPMFKSA-N 448.493 2.656 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 61969839 OSYINLFEOJAFBQ-HXUWFJFHSA-N 429.586 2.979 0 50 IFAA COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3N3CCCN23)cc1 100091008 ALKCFVQKXGUQPN-OTWHNJEPSA-N 442.313 2.993 0 50 IFAA CC(C)(NC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1)c1ccccc1 408524966 DLEVSBBIDXYZSN-HKKHYUGTSA-N 440.565 2.742 0 50 IFAA O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CCC[C@H](N2CCCS2(=O)=O)C1 434282092 UHGINYBPBSJOTB-HNNXBMFYSA-N 429.945 2.720 0 50 IFAA Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc(N2CCNC(=O)C2)ccn1 468809048 CUICOJAXGMQSCE-CALCHBBNSA-N 449.555 2.697 0 50 IFAA O=C(CN1C(=O)CCc2ccccc21)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O 470221235 APDXQLXJIMRNPK-IBGZPJMESA-N 427.451 2.551 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ncc(C)c(OC)c2C)C1 1857702650 FTKGVBCGGBTSAW-TYBLODHISA-N 444.620 2.536 0 50 IFAA O=C(NC[C@H]1CCCCN1)c1ccc(Cl)cc1S(=O)(=O)N1CCc2ccccc2C1 1875305145 IQZMIQFIAGOGAD-LJQANCHMSA-N 447.988 2.959 0 50 IFAA CC(C)(C)c1nc(N2CCC[C@@H]3CN(C(=O)c4cccc(F)c4F)CC[C@@H]32)[nH]c(=N)n1 1875335025 PIBRPGPIKGYXSO-CJNGLKHVSA-N 430.503 2.991 0 50 IFAA O=C(Cc1cccnc1)N1CC[C@H]([C@@H]2CCCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)C2)C1 2325817956 JAWMAOYMMZBQOB-YADHBBJMSA-N 444.539 2.810 0 50 IFAA CS(=O)(=O)c1ccc2cncc(NC(=O)[C@@H]3CNC(=O)c4ccc(Cl)cc43)c2c1 2325822579 CJNQWBCIUCYVDE-QGZVFWFLSA-N 429.885 2.757 0 50 IFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NCc1ccccc1 1126626 AQXXALMZFUQTLT-NRFANRHFSA-N 439.537 2.738 0 50 IFAA O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)NC[C@H]1CCCO1 2873741 QTCADUVUTPBDGM-CYBMUJFWSA-N 445.566 2.975 0 50 IFAA COCCN1C(=O)C[C@@](CC(=O)N2CCC(c3ccncc3)CC2)(c2ccccc2C)C1=O 11880541 LZVWLERITINFLP-SANMLTNESA-N 449.551 2.829 0 50 IFAA CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2 19741399 CSKHJVDNWQPQBI-LYDJUCFBSA-N 437.997 2.662 0 50 IFAA COc1ccc([C@@H]2Cn3cnc(C(=O)N4CCC(C(=O)NCC5CC5)CC4)c3CO2)cc1 169758889 NAMKTCBRKKUAQI-NRFANRHFSA-N 438.528 2.542 0 50 IFAA C[C@H](C(=O)N1CCc2ccccc21)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 170593429 UIQYFFPKDCLTGM-BWKNWUBXSA-N 446.595 2.773 0 50 IFAA CCCCNC(=O)N(S(=O)(=O)c1ccc(N)cc1)[Sn](C)(C)C 195776147 WOPHQFOBVFOENH-UHFFFAOYSA-M 434.150 2.604 0 50 IFAA COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 245256338 PFOBDPJVWPMEPM-BXWFABGCSA-N 429.517 2.612 0 50 IFAA O=C(c1ccc(-c2cc[nH]n2)s1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 252487680 HZMRYESIQNHIAB-UHFFFAOYSA-N 435.553 2.875 0 50 IFAA CCOC(=O)c1sc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccccc3)C2=O)nc1C 252539497 ODDQKIQNANOGCV-CQSZACIVSA-N 430.486 2.672 0 50 IFAA O=C(Cn1cc(NC(=O)CSc2ccccc2)cn1)NCCc1cn2ccsc2n1 299769200 LQRMVTWGQLDZFI-UHFFFAOYSA-N 440.554 2.682 0 50 IFAA COc1cccc(CO[C@H](C)C(=O)Nc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c1 1875254577 JUWYPOLDZFEMCU-YLJYHZDGSA-N 425.529 2.936 0 50 IFAA Nc1cncc(C(=O)N2CCC3(CC2)CN(C(=O)[C@H]2CC24CCC4)Cc2ccccc2O3)n1 1875358945 NZESFSDEQAEUQQ-GOSISDBHSA-N 447.539 2.645 0 50 IFAA COc1cc(OC)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC 1055079 RVKFHQUOVGYSQJ-UHFFFAOYSA-N 444.469 2.556 0 50 IFAA CCNC(=O)C[C@H]1C(=O)N(Cc2ccccc2)C(=S)N1NC(=O)c1ccc(Cl)cc1 1185732 WPZMGBQHLYNYTR-KRWDZBQOSA-N 444.944 2.509 0 50 IFAA COc1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1Cl 2992078 ORQFWUGLMPQRRV-UHFFFAOYSA-N 432.951 2.757 0 50 IFAA COC(=O)c1cc(CNC(=O)c2[nH]nc3c2CCCC3)cc(NC(=O)c2ccncc2)c1 12031035 IAPQQMVMHMVEIY-UHFFFAOYSA-N 433.468 2.652 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(CCCc2ccccc2)CC3)cc1 12245683 NEWNWJTYDNEXLP-UHFFFAOYSA-N 433.556 2.750 0 50 IFAA CN(Cc1ccno1)C(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 13636571 QDAFGIJCGDKVDF-QHCPKHFHSA-N 432.524 2.656 0 50 IFAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NCc3cc(OC)cc(OC)c3)cc12 14530944 YUWUKTBIRQQJDI-UHFFFAOYSA-N 442.472 2.574 0 50 IFAA Cc1nc(CN2C[C@@H](OCc3ccccn3)CN(C(=O)[C@H]3CC=CCC3)CC2=O)cs1 14541664 FBJDRBFETQRYLF-GHTZIAJQSA-N 440.569 2.959 0 50 IFAA O=C(CC[C@@H]1CCCN(C(=O)c2csnn2)C1)N1CCN(Cc2ccccc2)CC1 19337095 IULBSERRJDPCBM-IBGZPJMESA-N 427.574 2.515 0 50 IFAA Cc1nc(CN2CCN(Cc3ccccc3OC[C@@H](O)CN3CCCCC3)CC2)cs1 20995349 FTAINSZJEXFFJS-QHCPKHFHSA-N 444.645 2.995 0 50 IFAA O=C1C[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 100037037 USZSDFMFBFKRGA-IBGZPJMESA-N 428.330 2.899 0 50 IFAA C[C@H]1COC[C@@H](C)N1C(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 170636738 RLSBMCKAFAYHTD-AOOOYVTPSA-N 428.308 2.929 0 50 IFAA Cc1ccc(C2=NO[C@@H](CNC(=O)c3ccc4c(c3)C(=O)N(C[C@@H]3CCCO3)C4=O)C2)cc1 225744100 HUDDPHCGUJMMKR-RBUKOAKNSA-N 447.491 2.693 0 50 IFAA O=C(c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2)N1CCN(c2ccc(F)cc2)CC1 263618696 VABOMZGUXIDRGK-HXUWFJFHSA-N 425.439 2.790 0 50 IFAA CNC(=O)CNC(=O)c1cccc(N[C@H](C(=O)NCc2ccccc2)c2ccccc2)c1 409851776 WNNSHWKXZCRPMS-QHCPKHFHSA-N 430.508 2.632 0 50 IFAA C[C@]1(c2cccc(CNC(=O)N3CCC(c4nc5ccccc5o4)CC3)c2)NC(=O)NC1=O 1318202997 OGULXYZAWOFISA-XMMPIXPASA-N 447.495 2.972 0 50 IFAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[C@@H](c4nc(C)no4)C3)cc2)cc1 1857798861 DFKHEWXIQIGEEF-MRXNPFEDSA-N 442.497 2.817 0 50 IFAA CCC[C@H](NC(C)=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1875344258 IHZLPUKERAXTNQ-HKUYNNGSSA-N 443.997 2.694 0 50 IFAA Cc1c(N(C)CN(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C 640396 GEFDLFMKEPTYLA-UHFFFAOYSA-N 446.555 2.812 0 50 IFAA O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(I)cn2)cc1 1444265 CZOOFRMIEGHTSK-UHFFFAOYSA-N 443.266 2.614 0 50 IFAA O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)CC1 1460009 NMHMEKYZJDVBGP-ZDUSSCGKSA-N 427.737 2.659 0 50 IFAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)Cn1nc2ccccc2n1 11767940 LIRZYXDCLOCGRY-FQEVSTJZSA-N 447.583 2.786 0 50 IFAA CCN(C[C@@H]1CCCO1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O 11786357 MXVSVYBLWLOAPC-BKMJKUGQSA-N 449.551 2.739 0 50 IFAA CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2cnn4cccnc24)O3)cc1 11981362 FUKYRLWGSMPRPG-SFHVURJKSA-N 448.504 2.533 0 50 IFAA COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(Cc2cccnc2)C3)cc1 14732315 PCAPKNHOCPVMQB-UHFFFAOYSA-N 431.540 2.980 0 50 IFAA COc1cccc(/C=C2\SC(=N)NC2=O)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 16225345 YTMVQGSFXRDUTD-YBEGLDIGSA-N 447.494 2.560 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1nc(-c3ccc(C)cc3)oc1C)c(=O)n2C 20394134 JVVWYRRFQFTZEU-UHFFFAOYSA-N 434.452 2.510 0 50 IFAA COc1ccc(CN2CCN(Cc3cccc(OCCO)c3)C[C@@H]2CCO)c(C)c1C 20910886 CZOIACHOGKVWIG-QHCPKHFHSA-N 428.573 2.752 0 50 IFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)Cc2ccccc2Cl)CCO3)CC1 23128643 OUTZTNYVJWXUTQ-UHFFFAOYSA-N 441.959 2.968 0 50 IFAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1F 55341214 BVEZTHXNZSSIEE-HXUWFJFHSA-N 444.457 2.934 0 50 IFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)CCc4ccccc4OC)ccn3n2)c1 169777075 SACRNFVFYOCGNY-UHFFFAOYSA-N 446.507 2.929 0 50 IFAA CCOc1ccc(C(=O)NCC(=O)N(C)[C@H](COC)Cc2ccccc2)cc1OCC 170609891 QDTVKFODYJJSFR-FQEVSTJZSA-N 428.529 2.930 0 50 IFAA COc1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)ccc1O 245245246 COGWKIMLRNQVSL-DVOMOZLQSA-N 432.445 2.731 0 50 IFAA O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1 253419758 CHWBJDPNOPQGAJ-UHFFFAOYSA-N 443.382 2.704 0 50 IFAA CC[C@@H](C)C(=O)N1CCC([C@]2(CCc3ccccc3)NC(=O)N(CCN(C)C)C2=O)CC1 299758531 MJQWKSUXHMBSQB-CLOONOSVSA-N 442.604 2.756 0 50 IFAA CSCC[C@H](NC(=O)C[C@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 409414843 POXGVPCUSCHJNK-ZWKOTPCHSA-N 437.525 2.988 0 50 IFAA CN1Cc2ccccc2C[C@H]1CN(C)S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 952869318 ZVKBWBRGOZHAIG-NRFANRHFSA-N 427.570 2.881 0 50 IFAA NCc1nc(C(=O)N2CCCC(=O)N3CCCC[C@@H]3CCc3cccc(c3)OCC2)co1 1857707113 ZYMKKMOUMZXMON-LJQANCHMSA-N 440.544 2.762 0 50 IFAA C[C@@H](OC(=O)Cc1csc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 1875362507 HYNSAMABXRIWQJ-LLVKDONJSA-N 430.935 2.765 0 50 IFAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(-c3cccnc3)nc3nc(N4CCCC4)sc23)C1 2325730667 KLXBHUHINQVZMK-JKSUJKDBSA-N 439.541 2.575 0 50 IFAA CC(=O)OCCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccco1 12379961 HGWLFSLJKYNSIB-FOWTUZBSSA-N 435.274 2.882 0 50 IFAA COCCN(Cc1cc2ccc(OC)cc2nc1N1CCN(C(C)=O)CC1)C(=O)C(C)C 15005284 MJOYZVKKKFDSBK-UHFFFAOYSA-N 442.560 2.543 0 50 IFAA O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N1CCN(Cc2ccccc2)CC1 20601060 DEWJSYBWKMEQEC-UHFFFAOYSA-N 434.496 2.666 0 50 IFAA COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)c(C)c1C 20919317 CIBXVBQCDJQJMS-GOSISDBHSA-N 441.576 2.566 0 50 IFAA CCOC(=O)N1CCC(NC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)CC1 169772581 WBQFWKDVDGDLCD-UHFFFAOYSA-N 443.470 2.757 0 50 IFAA COc1cc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)ccc1-n1nc(C)cc1C 169772689 OQDVXWPHIMPTQM-LJQANCHMSA-N 447.495 2.967 0 50 IFAA CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)CCC(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1C 196047464 YRWMGJBQYCEWMW-SZPZYZBQSA-N 430.464 2.983 0 50 IFAA O=C(NCCc1cccc(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 242273703 YFFTVAYNMAVAIZ-KRWDZBQOSA-N 443.352 2.742 0 50 IFAA COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CCN(CC=C(C)C)CC2 299763857 FQYHPISXBAPGQG-UHFFFAOYSA-N 425.529 2.866 0 50 IFAA Nc1ncnc2c1ncn2CCC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCCC1 1875325111 HSNSAEHIXXTPBO-MRXNPFEDSA-N 447.465 2.771 0 50 IFAA C[C@H](Nc1cncc(C(=O)NC23CCCC2CCC3)n1)c1cccc(S(N)(=O)=O)c1 1875360805 JOQVBDZLIFHUPW-DOOHWEDMSA-N 429.546 2.750 0 50 IFAA COc1c[nH]c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2[C@H]3Cc2ccccc2)cc1=O 2356156609 KJPWPVZTOMLQKZ-LQWHRVPQSA-N 431.492 2.589 0 50 IFAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)S1 725127 UTPLQTTYEQYLDB-OAHLLOKOSA-N 438.358 2.876 0 50 IFAA COc1cc(CNCc2cccc(SC)c2)ccc1OC[C@H](O)CN1CCC(O)CC1 11840372 FDCCCVIBTBVNNZ-OAQYLSRUSA-N 446.613 2.903 0 50 IFAA COC(=O)c1cc(CNC(=O)[C@@H]2CCOC(C)(C)C2)cc(NC(=O)c2cc(C)nn2C)c1 12162550 MTOHBEQQNMCLGG-MRXNPFEDSA-N 442.516 2.589 0 50 IFAA O=C(NCCCN1CCOCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 20509978 ZLKUCZBZKHGTJH-FUHWJXTLSA-N 437.466 2.996 0 50 IFAA O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 170637029 JLQSSKAGTRDQKL-CVEARBPZSA-N 425.963 2.692 0 50 IFAA CC[C@H](C)N(C(=O)COC(=O)c1csc2c1CC[C@@H](C)C2)[C@H]1CCS(=O)(=O)C1 229995812 TYKILEMHHKDAHO-ILXRZTDVSA-N 427.588 2.844 0 50 IFAA COc1ccc([C@H]2CC(=O)Oc3c2c(C)cc2oc(=O)c4c(c32)CCC4)cc1OCC(N)=O 263585573 KFOJFWIKIXUUHJ-MRXNPFEDSA-N 449.459 2.904 0 50 IFAA biogenic CS(=O)(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@]3(Cc2cscn2)C(=O)NC2CC2)cc1 1704300835 XNSQQEHAOFYJKN-CBQOVEMMSA-N 445.610 2.791 0 50 IFAA Cn1cnc2cc(C(=O)NCC[C@H]3CN(c4ncnc5n[nH]cc45)c4ccccc43)cnc21 1875288369 YMKGORGPHMLNEV-AWEZNQCLSA-N 439.483 2.690 0 50 IFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(I)ccc1OC 1074605 FNQKGFOASXCXPA-CYBMUJFWSA-N 432.283 2.656 0 50 IFAA CCOC(=O)N1CCN(C(=O)[C@H](C)n2cc(NC(=O)c3cc(C)c(C)s3)c(C)n2)CC1 2732216 GOTDSHPCPIGTNZ-HNNXBMFYSA-N 447.561 2.984 0 50 IFAA Cc1nn(C)cc1/C=C1\N=C(SCC(=O)c2ccc3c(c2)OCCO3)N(C2CC2)C1=O 2800674 NOQMQYNYEOWQPM-MFOYZWKCSA-N 438.509 2.817 0 50 IFAA CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccccc1OCC 6578009 GSVRLSOJYQWDHX-FQEVSTJZSA-N 444.509 2.730 0 50 IFAA O=C(c1cn(Cc2ccccc2C(F)(F)F)nn1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 12387503 DVYACQUTOXLSRD-ZBFHGGJFSA-N 443.429 2.766 0 50 IFAA CCN(CC)C(=O)c1cn(C[C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nn1 12455070 OMSNMIJCSALMKX-LJQANCHMSA-N 427.549 2.640 0 50 IFAA O=C(Cn1nc(C(F)F)c(Br)c1C1CC1)N1N=CC[C@]1(O)C(F)(F)F 13960183 RAPYNLFGGJDRSE-LBPRGKRZSA-N 431.159 2.930 0 50 IFAA COc1cc(COC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC 16677542 CVQQQVSQTWWINM-FQEVSTJZSA-N 434.508 2.551 0 50 IFAA C[C@@H]1CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)C[C@@H](CO)O1 170605404 KITKWQVHDWWQRL-KOLCDFICSA-N 438.328 2.527 0 50 IFAA CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1ccc(I)cc1 170640772 IDIVHCCMYOWRMQ-CYBMUJFWSA-N 432.258 2.866 0 50 IFAA COc1ccc(N2C[C@H](C(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)CC2=O)c(OC)c1 257198628 DWVWVAORASEINR-NLWGTHIKSA-N 429.561 2.780 0 50 IFAA biogenic Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(C)cc2C)cc1 2813721 RUORTJCIPMOIQB-UHFFFAOYSA-N 443.569 2.531 0 50 IFAA COC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)cc1 10034971 PPKSUTQGVBTEAJ-ZDUSSCGKSA-N 439.493 2.972 0 50 IFAA CC(=O)Nc1ccc(CN2CCOc3ccc(CN4CCN(C(C)=O)CC4)cc3C2)cc1 11974998 VPGMYSKUZZIGRL-UHFFFAOYSA-N 436.556 2.704 0 50 IFAA CSc1nnc(CNC(=O)CN2C[C@@H](c3ccccc3)CC2=O)n1-c1ccccc1C 12247001 NQYNWOXSEKDWLU-SFHVURJKSA-N 435.553 2.930 0 50 IFAA COc1cccc(CNCC[C@@H]2CCC(=O)N2C[C@@H](O)COc2cccc(OC)c2)c1 15003525 ZAIQXDPEGUBARO-VQTJNVASSA-N 428.529 2.614 0 50 IFAA CCN1C(=O)[C@H](CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)N(CC)C1=O 19831845 DZZGDINALYXFNO-QFIPXVFZSA-N 448.567 2.983 0 50 IFAA CN1CCC(N[C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3ccccc3)C2)CC1 20998523 AHYTVHIOQLXNAD-NOZRDPDXSA-N 438.591 2.811 0 50 IFAA O=C(Cc1ccc(F)cc1)N[C@H](O)C(Br)(Br)Br 71770027 GZVYHATUMCSMNO-SECBINFHSA-N 433.897 2.641 0 50 IFAA COc1ccc(CCN2C(=O)[C@@H](CC(=O)Nc3cccc4[nH]ccc34)N=C2O)cc1OC 252548716 QHGLXDHQPHFLRC-GOSISDBHSA-N 436.468 2.881 0 50 IFAA O=C(NCCn1c(O)nc2ccccc21)NCC1(c2ccc3c(c2)OCO3)CCOCC1 428121401 WUHWQHVAGRTRQL-UHFFFAOYSA-N 438.484 2.518 0 50 IFAA O=C(CNc1cccc(-c2cn(Cc3coc(-c4ccccc4)n3)nn2)c1)N1CCOCC1 2325776695 MLSMIHWUEYFBTO-UHFFFAOYSA-N 444.495 2.919 0 50 IFAA O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 2885363 GYMOHLLSORTKSX-CYBMUJFWSA-N 427.320 2.759 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@H]1c1cccs1 4461175 XPHYTMLMVIHPDX-FYXHJSOBSA-N 426.519 2.565 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccccc1 8765652 KWWOHFKDLUFRGW-CURYZJDOSA-N 434.517 2.807 0 50 IFAA CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(Cc2ccccc2)CC1 9062516 ONDIIDDHMSRBMS-UHFFFAOYSA-N 427.570 2.738 0 50 IFAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(n2cc(C(=O)N3CCCC3)nn2)CC1 12097238 ZWMAHQUNLMDLIG-OAHLLOKOSA-N 431.924 2.799 0 50 IFAA COc1cc2c(cc1OC)CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)CC2 12292173 VIDGKUXEHFUWDZ-LJQANCHMSA-N 448.516 2.581 0 50 IFAA CCS(=O)(=O)c1ncc(CN2CCC[C@H](COc3cccc(F)c3)C2)n1CCOC 12446238 SRKZRDHDZATGHF-KRWDZBQOSA-N 439.553 2.753 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccc(F)c(F)c1)C2 14732719 OQPKINVPLFMZFK-KRWDZBQOSA-N 432.515 2.937 0 50 IFAA O=C(c1cccs1)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)NC(=S)N[C@]1(O)C(F)(F)F 35350887 ZQKUXTFDTKXXLY-WOSRLPQWSA-N 430.429 2.746 0 50 IFAA O=C(CN(CCn1ccnc1)Cc1cccc(Cl)c1)NC1CCC2(CC1)OCCO2 225480826 WKYIRLDWSBIYDY-UHFFFAOYSA-N 432.952 2.841 0 50 IFAA CCOc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2C)nn1 252457458 KNWHDBLCINMCFZ-GZOSKZMVSA-N 429.521 2.856 0 50 IFAA Cn1c(CN2CCC3(CC2)CN(Cc2cscn2)C(=O)CCO3)nc2ccccc21 1704308418 QSKHLZMVOKPRRD-UHFFFAOYSA-N 425.558 2.814 0 50 IFAA CCOc1ccc(-c2nc3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n3n2)cc1 956007 ZYJOWTLFRXQDCW-PDGQHHTCSA-N 439.493 2.790 0 50 IFAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)CC1 11907615 SVZGLWSUQNKXJK-UHFFFAOYSA-N 429.542 2.723 0 50 IFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cnc3ccccn3c2=O)C1 12702239 ZQAJBKJSKMWFFH-XMMPIXPASA-N 437.471 2.862 0 50 IFAA COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CSC)C2)c1 14537374 ZMALQCXMJUVUAB-JOCHJYFZSA-N 442.581 2.857 0 50 IFAA COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(Cc1cccn1-c1cccnc1)CC2 19745414 YOTCGOKFGGRGEB-UHFFFAOYSA-N 436.512 2.666 0 50 IFAA CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)N(C)CCc2ccccn2)c1=O 19792687 FIFLCVOMKDWAEZ-UHFFFAOYSA-N 426.561 2.990 0 50 IFAA COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 25691869 XYCPRHWDUCLQFN-PMACEKPBSA-N 444.553 2.935 0 50 IFAA COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)C1 253426620 ZIJRMTQFIQEMRK-WFASDCNBSA-N 440.422 2.759 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3ccccc3-n3cncn3)CC1)OCC2 1704300151 WJPZDPGWYDGYGC-UHFFFAOYSA-N 434.496 2.989 0 50 IFAA CC(C)[C@H](NC(=O)COC(=O)c1cnc2c(c1)ncn2C)c1ccc2c(c1)OCCCO2 1875262033 ZWQWURGPZLTNAX-NRFANRHFSA-N 438.484 2.800 0 50 IFAA COCCOc1ccc(S(=O)(=O)NC(=O)Cc2ccc(Br)cc2)cc1 1875350439 NAXKAPINTUMTAT-UHFFFAOYSA-N 428.304 2.522 0 50 IFAA O=C(N[C@@H]1CCCC12CN(c1nc(-c3cccnc3)nc3c1CCC3)C2)[C@H]1CC=CCO1 1875359933 UFDHFKHOFUZIAE-NHCUHLMSSA-N 431.540 2.848 0 50 IFAA C=CC(=O)N1CCCc2cc(C(=O)N[C@H]3COCCN(C(=O)OC(C)(C)C)C3)ccc21 1875371639 HTVKHWGTOSSOJN-GOSISDBHSA-N 429.517 2.518 0 50 IFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCN(C)CC2)[C@H]1c1ccc2c(c1)OCO2 1072570 ADIWITQQNGFPAX-QFIPXVFZSA-N 442.512 2.851 0 50 IFAA COc1ccc(CCNC(=O)c2cnc3sc(N4CCCCCC4)nn3c2=O)cc1 8609896 YETNOYHUQDWUPH-UHFFFAOYSA-N 427.530 2.513 0 50 IFAA COc1cc(CNCc2cccc(SC)c2)ccc1OC[C@@H](O)CN1CCC(O)CC1 11840370 FDCCCVIBTBVNNZ-NRFANRHFSA-N 446.613 2.903 0 50 IFAA COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)N[C@H](C)c2cccc(OC)c2)c1=O 11972885 YSHACHQUPPYLKG-QGZVFWFLSA-N 443.544 2.770 0 50 IFAA COCc1ccc(C(=O)N2CCC([C@@H](Cc3ccccc3)N(C)C(=O)CN(C)C)CC2)o1 12217606 NHCWCMCXLWESBW-JOCHJYFZSA-N 441.572 2.910 0 50 IFAA Cn1nc(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)ccc1=O 14969506 IDIVOSZVPJHKFM-SFHVURJKSA-N 430.508 2.730 0 50 IFAA COCC(=O)N1CCN(c2cccc3c2C(=O)N(Cc2cccc4ccccc24)C3=O)CC1 824313507 KEPVXHQKQMLACJ-UHFFFAOYSA-N 443.503 2.931 0 50 IFAA CS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)nc3onc(C4CC4)c23)CC1 2325708511 DEWOJOVXXREHGM-UHFFFAOYSA-N 440.525 2.921 0 50 IFAA O=C(/C=C/c1ccco1)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 2522507 JAPJOLBDXOXSKE-WQICJITCSA-N 432.476 2.832 0 50 IFAA COCCN(Cc1cc2ccc(OC)cc2nc1N(C)C)C(=O)CCn1ccc(C)n1 12470687 IVNHLZCQIHZVHW-UHFFFAOYSA-N 425.533 2.880 0 50 IFAA O=C(NCCCN1CCOCC1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19537081 XPWLTVBALYQINI-UHFFFAOYSA-N 439.463 2.929 0 50 IFAA CCCN1CCN(C(=O)C[C@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)CC1 19952254 UVUIMAOUFPAKMB-VWLOTQADSA-N 448.611 2.563 0 50 IFAA O=S1(=O)Nc2ccccc2N1CCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F 170601934 HRDDBFHPCJZFCZ-UHFFFAOYSA-N 439.412 2.708 0 50 IFAA CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)[nH]1 225416327 XCAICDXDKFOJKO-CHWSQXEVSA-N 437.566 2.895 0 50 IFAA C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 253417218 NWIYNSDJAWCBFM-DOTOQJQBSA-N 440.562 2.636 0 50 IFAA Cn1nc(CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)c2ccccc2c1=O 299754382 FRVAKXNDVPTLIH-OFHUJUHISA-N 432.568 2.898 0 50 IFAA biogenic CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 429381559 NSWOLNOBFXUUMC-YWZLYKJASA-N 446.511 2.859 0 50 IFAA O=C(NCc1ccc(O)nn1)N1CC[C@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1 952892256 GAESZHRMQPQOBF-SFHVURJKSA-N 434.378 2.648 0 50 IFAA COC(=O)c1ccc(CCNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1 1875257131 SYPDLUQZVHXPOV-JOCHJYFZSA-N 437.540 2.939 0 50 IFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 945338 RPFPWJXYRLJCTE-SFHVURJKSA-N 438.436 2.519 0 50 IFAA COc1ccc(CNCC[C@H]2CCC(=O)N2C[C@H](O)COc2cccc(OC)c2)cc1 11782825 PEOBRYCMRMMGBF-UXHICEINSA-N 428.529 2.614 0 50 IFAA COC(=O)CN1C(=O)N(Cc2ccccc2)C2(CCN(C3Cc4ccccc4C3)CC2)C1=O 14530478 BGIMXJCPCHEQLP-UHFFFAOYSA-N 447.535 2.626 0 50 IFAA COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(Cc3ccccn3)CC2=O)cc1 14540370 NFQYABZHJJKGHV-DEOSSOPVSA-N 432.524 2.915 0 50 IFAA O=C1C[C@](CC(=O)N2CCCC[C@H]2CO)(c2cccc(C(F)(F)F)c2)C(=O)N1C1CC1 14987408 CWLIKOVXGWJKSI-LAUBAEHRSA-N 438.446 2.628 0 50 IFAA Nc1cc(N2CCC3(CC2)CN(Cc2cccc(C(F)(F)F)c2)C(=O)CCO3)ncn1 1704330254 HPXDFROORUOHRK-UHFFFAOYSA-N 435.450 2.866 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1CCc2nccn2C1 1875287941 HBDNNXKNUYNLNR-HZPDHXFCSA-N 428.500 2.554 0 50 IFAA Cc1nc(-c2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)no1 1875328212 FXIWETZZOYKMPA-UHFFFAOYSA-N 426.498 2.528 0 50 IFAA CCOC(=O)CSc1nnc(CSc2nc(=O)c3c4c(sc3[nH]2)CCC4)n1C 8680826 RGDIBFBJXPOJOY-UHFFFAOYSA-N 437.572 2.549 0 50 IFAA COc1cc(OC)c(OC)cc1CN1CCCC[C@H]1CCn1cc(C(=O)NC(C)C)nn1 12190290 OTJLIYQDVVVOQG-SFHVURJKSA-N 445.564 2.887 0 50 IFAA COc1cccc(OC[C@H](O)CNC(=O)c2cc(COc3ccc(F)c(F)c3)on2)c1 14954958 FLWQNPDEUWRHLK-CYBMUJFWSA-N 434.395 2.710 0 50 IFAA Cc1nc(N2CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC2)c2cnn(C)c2n1 225388622 DDSWAPCLFJLUPA-UHFFFAOYSA-N 433.560 2.620 0 50 IFAA CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)NC(=O)NCc2ccco2)[C@@H]2CCCC[C@@H]12 241587902 OYBLANNHSRRSGN-FLFBIERCSA-N 432.565 2.789 0 50 IFAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc(OCCc3ccccc3)cc2)c1O 253623885 RZGYRXXCYQBLDN-GOSISDBHSA-N 436.464 2.908 0 50 IFAA biogenic CCc1cc(O)nc(-c2cccc(NC(=O)C(=O)N(C)[C@H](CCO)c3ccccc3)c2)n1 440559440 QFQBVTGLCLPCEI-HXUWFJFHSA-N 434.496 2.932 0 50 IFAA C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)Cc2ccccc21 2325898106 SJAATLJGYKUXBT-JLTOFOAXSA-N 432.480 2.599 0 50 IFAA Cc1ccc(Cl)cc1N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)CC1 1120733 XUSRGFVXWWODBB-UHFFFAOYSA-N 439.940 2.757 0 50 IFAA COC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 1127757 KKLSHYUENCFMOI-UHFFFAOYSA-N 432.281 2.802 0 50 IFAA COC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccc(Cl)c(C(=O)O)c1 1900747 BJFRPEURJMBMTO-UHFFFAOYSA-N 447.860 2.531 0 50 IFAA O=C(NCCCN1CCN(CCCNC(=O)c2ccccc2F)CC1)c1ccccc1F 19640908 ZPULREDYDZIQSZ-UHFFFAOYSA-N 444.526 2.522 0 50 IFAA O=C(Cc1ccccc1)NCc1nnc2n1CCN(Cc1c(F)ccc(F)c1F)CC2 20452347 YBSMSLJEKLHGNC-UHFFFAOYSA-N 429.446 2.613 0 50 IFAA CC(=O)N1[C@@H](C)CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1C 30819409 IFYSRUMRQMXIEJ-AOOOYVTPSA-N 437.418 2.897 0 50 IFAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nn2)nc1 72139287 ZPELFDIBLJRAIM-UHFFFAOYSA-N 428.493 2.574 0 50 IFAA COC(=O)c1c(NC(=O)COC(=O)c2nnc(O)c3ccccc23)sc2c1CCCC2 745883827 NFBNDHVREXMHMF-UHFFFAOYSA-N 441.465 2.858 0 50 IFAA COC(=O)[C@H](CNC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1)Oc1ccc(F)cc1 759929122 UOVGKIRNVXAVTQ-LPHOPBHVSA-N 429.366 2.789 0 50 IFAA CCn1c(O)nc(N2CC[C@H](Nc3nc(-c4ccccn4)nc4sccc34)C2)cc1=O 1875362338 AJRYPOLUQWESIW-ZDUSSCGKSA-N 435.513 2.726 0 50 IFAA Cc1c(C(=O)N[C@H]2CCCN(C(=O)[C@H](c3ccccc3)C3CC3)C2)cnn1CCN(C)C 2325828611 MKFPZPANKRUQLV-JTHBVZDNSA-N 437.588 2.668 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C/c3sccc3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 633371 WAGXRFCFXGDXIQ-GTENMVSRSA-N 440.546 2.787 0 50 IFAA Cc1nc(N2CCC(C(=O)N3CCCC[C@@H]3C)CC2)nc2cc(S(C)(=O)=O)ccc12 11872530 DIXKPOJXOYXIKK-HNNXBMFYSA-N 430.574 2.959 0 50 IFAA COc1cc(CNCCCN2CCCC2=O)ccc1OC[C@@H](O)CN(C)C1CCCCC1 12718381 HSHSTRRFBKCGHO-QFIPXVFZSA-N 447.620 2.802 0 50 IFAA CCC(=O)c1ccc(OC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20419254 YJLKRMZRFBULRE-HXUWFJFHSA-N 426.513 2.566 0 50 IFAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38522471 IMHLPWQKTDIKJV-UHFFFAOYSA-N 429.524 2.943 0 50 IFAA O=C1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)CCN1 486375311 UGAKKLVAAGEYEV-UHFFFAOYSA-N 435.431 2.977 0 50 IFAA CCN1CCN(CCOc2ccc(CN3CCC4(CCC(=O)N(C)CC4)CC3)cc2)CC1 823116379 LGNHPYVZMZBENP-UHFFFAOYSA-N 442.648 2.927 0 50 IFAA COc1cc2c(cc1O)CCN(C(=O)CCN1C(=O)C[C@@](C)(c3ccccc3)C1=O)[C@H]2C 888105509 GLRFFBQQMQAVCY-LMKMVOKYSA-N 436.508 2.953 0 50 IFAA CCNC(=O)c1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1Cl 952975716 ZSZFJMYWPGQKED-UHFFFAOYSA-N 427.885 2.634 0 50 IFAA O=C1CCN(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)C(=O)N1Cc1cccc2ccsc12 1875322224 MPGFPLZRFKYLPH-FVCZOJIISA-N 449.532 2.863 0 50 IFAA CCn1cc(Br)c(C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)n1 2769104 HIOQGACMVBORNS-UHFFFAOYSA-N 443.323 2.952 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccc(OC)cc1 8826749 BLDNSYRSCINTMS-WPNIOXTASA-N 440.546 2.868 0 50 IFAA CCC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1 11838353 ICSGLXVXPHXCKL-LJQANCHMSA-N 430.545 2.924 0 50 IFAA COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCc3ccc(F)cc3)c2)CC1 11841835 OKZGPYIBFGQNHM-QFIPXVFZSA-N 430.520 2.740 0 50 IFAA CN1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nccn3C)CN2Cc2c(F)cccc2F)CC1 11881271 WZSAOPHIASBDLU-UZLBHIALSA-N 449.571 2.598 0 50 IFAA COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCc3cccc(C)c3)cc2)CC1 12058084 NNMBOJWKOHSTOR-QHCPKHFHSA-N 426.557 2.910 0 50 IFAA Cc1nnsc1C(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 12297918 IVJVMMXZLKXKRO-FQEVSTJZSA-N 441.601 2.870 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)NCc1cn2ccsc2n1 12306264 KEVHCAUOBYTBRX-FQEVSTJZSA-N 433.537 2.556 0 50 IFAA CC1=C(C)C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[C@@H](C(=O)O)C1 19632766 INCUSDBSWJWDFB-ROUUACIJSA-N 440.949 2.620 0 50 IFAA CCOc1cc(CN2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)ccc1OC 20906230 HBRGXOJXNGBYBE-MRXNPFEDSA-N 439.516 2.828 0 50 IFAA CCCCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1OC 26687304 NJCMUJJXHAGTSB-RCCKNPSSSA-N 449.532 2.837 0 50 IFAA CCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100613838 GLZWSRKHUQLIEI-UHFFFAOYSA-N 430.464 2.700 0 50 IFAA COc1ccc(CN2CCN(Cc3ccc(OCCO)cc3)C[C@H]2CCO)c(C)c1C 104420514 WMMAPHGIJNMKCG-HSZRJFAPSA-N 428.573 2.752 0 50 IFAA Cc1c(C)[n+]([O-])c([C@@H](c2ccncc2)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263587290 FGMUJBIVZRLXDK-IBGZPJMESA-N 435.480 2.766 0 50 IFAA O=C(c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1)N1CCCc2ccccc21 408524957 CQOHTFVNOMYHSS-SWCJPYALSA-N 438.549 2.669 0 50 IFAA COc1cccc(CC(=O)N2CCc3ccc(NC(=O)N4CC[C@@]5(CNC(=O)C5)C4)cc32)c1 433234109 QNSSQOHHNGQOFC-RUZDIDTESA-N 448.523 2.571 0 50 IFAA Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)C1 495182852 IFZGAIBBGWMZPX-FHEREFKTSA-N 425.548 2.911 0 50 IFAA Cc1sc2ncn(NC(=O)COc3ccc(C(N)=O)cc3)c(=O)c2c1-c1ccccc1 728161850 UNHCREYKDRZLTQ-UHFFFAOYSA-N 434.477 2.681 0 50 IFAA O=C(NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1cnc(O)c2ccccc12 1875261303 QFXARONHCPGJMQ-NRFANRHFSA-N 433.464 2.501 0 50 IFAA CC(=O)N[C@@H](CC(=O)N[C@@](C)(CO)COc1ccccc1)c1ccc(Br)cc1 1875344765 ONJIGROJGJJEHC-FPOVZHCZSA-N 449.345 2.963 0 50 IFAA CS(=O)(=O)c1ccc2cncc(NC(=O)[C@H]3CNC(=O)c4ccc(Cl)cc43)c2c1 2325822578 CJNQWBCIUCYVDE-KRWDZBQOSA-N 429.885 2.757 0 50 IFAA COc1ccc(CCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1OC 3612725 LLGRLRLPHKDOQM-UHFFFAOYSA-N 444.912 2.621 0 50 IFAA COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)Cn2cnc3ccccc3c2=O)C1 12074674 JFCSXBKGDJWQCP-HXUWFJFHSA-N 448.567 2.818 0 50 IFAA COc1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)N[C@H](C)C(=O)O)cc1 12381013 OLEFGRANKFJCSX-PBSOMRJOSA-N 447.285 2.818 0 50 IFAA O=C(CCNS(=O)(=O)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12865869 WWVDTXSLRAUTID-UHFFFAOYSA-N 441.475 2.723 0 50 IFAA Cc1ccc(N([C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)cc1 13896569 ZACCMWDSWPDSJN-KRWDZBQOSA-N 442.541 2.586 0 50 IFAA O=C(CNS(=O)(=O)c1ccccc1)OCc1ccc(S(=O)(=O)c2ccccc2)cc1 16293756 DYFXHZGWASPTDM-UHFFFAOYSA-N 445.518 2.541 0 50 IFAA COc1cc(CN2CCN(Cc3ccc(NC(C)=O)cc3)C[C@H]2CCO)cc(OC)c1 22909931 SKEOLJINUMEKPM-JOCHJYFZSA-N 427.545 2.731 0 50 IFAA COCCS(=O)(=O)N(Cc1ccccn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 170611312 IJQFAQYMZPFLDU-GOSISDBHSA-N 427.567 2.649 0 50 IFAA O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 230130097 BJJGGWIDCVGKOP-GVXSCFBNSA-N 448.567 2.848 0 50 IFAA CCCc1nnc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 238899686 HAYUXCHZXQPHEW-BEIYGRMHSA-N 436.537 2.848 0 50 IFAA COc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)c1OC 242389273 ZVSQTJIUFQQDJD-IIYDPXPESA-N 430.404 2.869 0 50 IFAA CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4ccccc4Br)nn23)C1 820318034 MWBLOGKAMRYQMT-JTQLQIEISA-N 442.364 2.754 0 50 IFAA O=C(O)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)CC12CCOCC2 1800414511 RIAGKLMQDMARKW-KRWDZBQOSA-N 434.920 2.532 0 50 IFAA CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](NC(=O)c1cc(F)c(F)c(F)c1)C(C)(C)C 1875345106 SAMKHKOBHBPHIH-DLBZAZTESA-N 429.483 2.915 0 50 IFAA Cc1ccc(OCC(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c2c1[C@@H](C)CC2=O 2325748267 MRQBDRGVEMQYBK-NSHDSACASA-N 442.415 2.983 0 50 IFAA O=C(O)[C@@H]1CC2(CCSCC2)CN1C(=O)[C@@H]1Cc2cc(Br)cnc2C1 2325877216 MPAMENIAHALVJQ-DOMZBBRYSA-N 425.348 2.758 0 50 IFAA COCCC1(C(=O)N=[S@]2(=O)CCCN(C(=O)COC3CCC(C)CC3)CC2)CC1 2332238496 AXIFXZPVGZRRAO-ZBOLRPPQSA-N 428.595 2.625 0 50 IFAA COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1Cl 2841964 BUDVGMVALSXPFE-UHFFFAOYSA-N 428.894 2.625 0 50 IFAA Cc1ccc2c(c1)n(S(=O)(=O)c1cccs1)c(=O)n2S(=O)(=O)c1cccs1 2846917 NYENHHDIHNVKEQ-UHFFFAOYSA-N 440.549 2.708 0 50 IFAA COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 2886446 OQOORCVHDDPVJD-HNNXBMFYSA-N 432.498 2.521 0 50 IFAA COc1cc(CNCc2cccc(Cl)c2)ccc1OC[C@H](O)CN1CCC(O)CC1 12580467 FKIDTFMHYYBSCD-OAQYLSRUSA-N 434.964 2.835 0 50 IFAA COC(=O)CN1C(=O)N(CCc2ccc(OC)cc2)C2(CCN(CC(C)(C)C)CC2)C1=O 14536169 HFYGFNFAINWSCG-UHFFFAOYSA-N 445.560 2.556 0 50 IFAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1cnn(-c3ccccc3OC)c1)C2 14752435 CDKPOLMPDLYXCN-UHFFFAOYSA-N 448.527 2.532 0 50 IFAA O=C(c1ccccc1)N1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 18283533 LUGNIDLRXSPFIC-GOSISDBHSA-N 442.313 2.539 0 50 IFAA Cc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c(Cl)c1 64800213 BCLBWXLPKVECGU-UHFFFAOYSA-N 430.940 2.938 0 50 IFAA COC(=O)c1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)ccc2nc1/C=C/N(C)C 72406636 OLROGHSXGSMDKR-PKNBQFBNSA-N 437.496 2.975 0 50 IFAA C[C@H]1CN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)C[C@@H](CO)O1 170605405 KITKWQVHDWWQRL-ONGXEEELSA-N 438.328 2.527 0 50 IFAA COc1ccc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c(OC)c1 170625648 VKMYFIGQOHADPZ-IBGZPJMESA-N 436.468 2.677 0 50 IFAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5cccc(OC)c5)CC4)c3CO2)cc1 263617990 QUJRDLSZGPXBMN-QFIPXVFZSA-N 449.511 2.529 0 50 IFAA O=C1N[C@]2(C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)C(=O)N1CN1CCC(c2nnc3ccccn23)CC1 799127581 CEPYNXXPNRDTIV-WLNKUXMVSA-N 434.544 2.613 0 50 IFAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(Cc2nc3ncccc3o2)CCCN1 1875241689 WBFZDTZBRDQLKA-IBGZPJMESA-N 435.528 2.615 0 50 IFAA C[C@@H](C(=O)N1CC2(CC2)C[C@@H]1CNC(=O)c1cc2nn[nH]c2cc1F)c1cccc(O)c1 1875360013 WJXVPYVQTVFNHX-UKRRQHHQSA-N 437.475 2.717 0 50 IFAA Cc1sc(S(N)(=O)=O)cc1NC(=O)[C@@H](N)[C@@H](C)c1cccc(Br)c1 2325851028 NGBCLUHSJDABPX-RTHLEPHNSA-N 432.365 2.536 0 50 IFAA NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)CC1 1081006 OPNXKQYSIVHRIP-UHFFFAOYSA-N 435.459 2.601 0 50 IFAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(Br)cc1 6553012 NTNFVQUAJMSDFP-MKSNKDDYSA-N 427.291 2.615 0 50 IFAA O=C([C@H]1CCOC1)N1CCOc2ccc(CN3CCN(c4ccc(F)cc4)CC3)cc2C1 11791212 YNXVNGPHRKKLIP-FQEVSTJZSA-N 439.531 2.905 0 50 IFAA CCS(=O)(=O)c1ncc(CN(CCO)Cc2cccs2)n1CCc1ccccc1 11935892 YZNIGTMQWXWVPX-UHFFFAOYSA-N 433.599 2.975 0 50 IFAA COc1ccccc1CNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl 12382661 XDEMAVYMTSLYAC-UHFFFAOYSA-N 426.922 2.731 0 50 IFAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 12439312 ILQVKFPLZJHZDP-QFIPXVFZSA-N 427.432 2.629 0 50 IFAA COc1cc(CO[C@@H]2CN(C(=O)c3ccccc3)CC(=O)N(C(C)C)C2)cc(OC)c1 14533163 ZDXOWBIUZFFQCD-JOCHJYFZSA-N 426.513 2.982 0 50 IFAA COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)CN(C(=O)c3ccc(OC)o3)C2)c1 14541718 SLGNIKAYYAKRPW-IBGZPJMESA-N 430.501 2.823 0 50 IFAA COc1ccc(C[C@@]2(CCC(=O)NC[C@@H]3COc4ccccc4O3)CCC(=O)N2)c(F)c1 14886537 OUYGBIIGIROXTI-HOYKHHGWSA-N 442.487 2.762 0 50 IFAA CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CCN(C(=O)c2cnsn2)CC1 14956325 UWYPIKSDZAFZJC-HXUWFJFHSA-N 438.557 2.507 0 50 IFAA O=C1CCCN1CC(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 15062285 SESJKFBIOSIQFX-OAQYLSRUSA-N 431.552 2.668 0 50 IFAA CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1=O 20601607 ULRYMSHGXPSSAG-SIKLNZKXSA-N 435.524 2.664 0 50 IFAA CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCCc2nnc(-c3ccco3)[nH]2)C1(C)C 170602258 NZBIDGBQSKLTTQ-NYHFZMIOSA-N 447.536 2.822 0 50 IFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C(=O)O)cc2)nc(C)n1 239287377 CRDFRHIEYSAUMV-KODHJQJWSA-N 444.513 2.580 0 50 IFAA CCOCCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 263617184 MNWFGTSVBIMOQL-NRFANRHFSA-N 440.544 2.550 0 50 IFAA O=S(=O)(c1ccc2nc(O)nc(O)c2c1)N(Cc1ccccc1)CC1(O)CCCC1 479281584 LOYTUTOBDCQKEQ-UHFFFAOYSA-N 429.498 2.537 0 50 IFAA Cc1cccc([C@H](CO)N2CCN(C(=O)c3cc4c(nc3O)CC(C)(C)CC4=O)CC2)c1 1875253774 LCLHMWPIBRGLGB-NRFANRHFSA-N 437.540 2.742 0 50 IFAA O=C(N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1875313899 WSXOQMVHHNVRRY-UGKGYDQZSA-N 446.573 2.783 0 50 IFAA Nc1ncnc2c1ncn2CCC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCC1 1875325108 HSNSAEHIXXTPBO-INIZCTEOSA-N 447.465 2.771 0 50 IFAA Cc1cc(C)n2nc(C)c(C(=O)N3CCCCNC(=O)C[C@@H]4CCCCN4CCC3)c2n1 2100533346 LDGBIODSBZKYQR-FQEVSTJZSA-N 440.592 2.641 0 50 IFAA CCOC(CNC(=O)CC1(O)CCCCCC1)CNC(=O)CC1(O)CCCCCC1 2325731681 JBJTVIHMHCWDLN-UHFFFAOYSA-N 426.598 2.575 0 50 IFAA CCOC(=O)c1sc(C)c2c(=O)n(CC(=O)c3ccc(Br)cc3)nnc12 2941129 BRUHXNJUORQVFL-UHFFFAOYSA-N 436.287 2.984 0 50 IFAA aggregator O=c1cc(CSc2ccccn2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]1 13611328 RZZWHLIQDUFHKP-UHFFFAOYSA-N 437.525 2.508 0 50 IFAA O=C(CNS(=O)(=O)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20030355 AWGFVGZKOGLEIH-UHFFFAOYSA-N 449.576 2.899 0 50 IFAA C[C@@H]1CN(Cc2cccc(CNC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)c2)CCO1 230037032 AAYDAVYVMASOAP-YKSBVNFPSA-N 435.568 2.615 0 50 IFAA C[C@H](OC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)C(=O)c1cccc(Cl)c1 239339004 LOQBAPSGARVXSQ-NEFICINASA-N 427.884 2.898 0 50 IFAA COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1 252444121 XSKPBNDTIWOPCR-KFCXZAFISA-N 429.517 2.868 0 50 IFAA COc1ccc([C@@H]2Cn3nnc(CN4CCN(C(=O)Nc5ccccc5)CC4)c3CO2)cc1 263615202 BCFUIYNNYHGXKQ-QHCPKHFHSA-N 448.527 2.908 0 50 IFAA O=S(=O)(c1ccc2ccccc2c1Br)N1CCC[C@@H](c2nc(O)n[nH]2)C1 1309549471 JSFZWCWLRUALBI-GFCCVEGCSA-N 437.319 2.994 0 50 IFAA COc1ccc(NC(=O)CC[C@]23CCC(=O)N2c2ccccc2-c2nc(=O)c(C)nn23)cc1 1857532525 MYBGUGZFIJEJNC-DEOSSOPVSA-N 445.479 2.834 0 50 IFAA CN1CC[C@@H](NC(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)[C@@H]1c1ccccc1 1875331530 LTVCEPKMVNQCMR-HSJYVMOXSA-N 434.540 2.650 0 50 IFAA Cc1nn(C2CCOCC2)cc1-c1nc(CS(C)(=O)=O)nn1CCCc1ccccc1 1875348984 JKJSLPIWVSPJNE-UHFFFAOYSA-N 443.573 2.979 0 50 IFAA CCn1c(=O)c(C)nc2cc(C(=O)N(C)Cc3ccc(CN4CCN(C)CC4)cc3)ccc21 1875359313 AIDGTKPRPJHZMM-UHFFFAOYSA-N 447.583 2.744 0 50 IFAA Cc1ccc(N2C(=O)CC[C@H](C(=O)N3Cc4[nH]c(=N)nc(O)c4C3)[C@H]2c2cccs2)cc1 2325825759 AEIDGSOYMQCGHJ-YWZLYKJASA-N 449.536 2.991 0 50 IFAA C[C@@]1(c2ccccc2)CCCCN1C(=O)c1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325896008 OPHIMELVRUMALI-LVXARBLLSA-N 445.519 2.989 0 50 IFAA CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n21 9008496 IMGSSVNZFGBASN-YMFQVDJJSA-N 449.532 2.592 0 50 IFAA COc1ccc(C(=O)N(C)C[C@H](O)c2ccccc2)cc1OC1CCN(C(C)=O)CC1 11754175 BDMPTTGXGYAQDR-NRFANRHFSA-N 426.513 2.891 0 50 IFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(C3CCCC3)cc(C(=O)NCC(C)C)c2=O)C1 12156208 LDTHRTYIAVXKJI-QGZVFWFLSA-N 445.560 2.765 0 50 IFAA COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1OC 12946435 SAKMJRLYVPELEG-TXPKVOOTSA-N 442.365 2.947 0 50 IFAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H](NCc3ccc(Cl)s3)C[C@@H]12 14540286 WWBNDEVFIRCMRC-KKXDTOCCSA-N 428.945 2.683 0 50 IFAA CCCS(=O)(=O)c1ncc(CN(C)Cc2nc3ccccc3[nH]2)n1C[C@H]1CCCO1 15065399 QZCPDNHSIGAHKH-QGZVFWFLSA-N 431.562 2.754 0 50 IFAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(=O)C2CCN(C(C)=O)CC2)C1 15075398 DVBKWRIDWWUCFI-HSZRJFAPSA-N 436.499 2.938 0 50 IFAA COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)c(F)c4)ccn3n2)cc1 169775854 GKCLDVIAJWMUMN-UHFFFAOYSA-N 436.443 2.749 0 50 IFAA CS(=O)(=O)CC[C@H](c1nc(-c2ccccc2F)no1)N1C(=O)c2ccccc2C1=O 225525762 XXMGYNBZTMFIEI-MRXNPFEDSA-N 429.429 2.648 0 50 IFAA Cc1cccc(-c2[nH]ncc2CN[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 237785279 YXTVXMWTGQNZIX-NRFANRHFSA-N 433.560 2.770 0 50 IFAA C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)NC1CC1)c1cc(F)ccc1N1CCN(C)CC1 253433154 SRZAXRNLYUEWLQ-VDGAXYAQSA-N 428.552 2.616 0 50 IFAA Cc1ccc(S(=O)(=O)N(C(=O)c2ccc(OCC(N)=O)cc2)c2ccc(O)cc2)cc1 920151864 HGLGEULCPSJICX-UHFFFAOYSA-N 440.477 2.600 0 50 IFAA CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2n[nH]c4c2CCC4)C3)cc1 11839187 HUHHMZYANNYAIM-INIZCTEOSA-N 437.521 2.702 0 50 IFAA COC(=O)[C@H]1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NCc2ccccc2)c1=O 12572670 BBGVCWGGFPFAAC-HXUWFJFHSA-N 439.512 2.527 0 50 IFAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 12701610 FOIBUVMTMRDTRU-QFIPXVFZSA-N 445.422 2.768 0 50 IFAA O=C(c1csnn1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55042105 CSNQLPRZLQONKP-MRXNPFEDSA-N 425.480 2.984 0 50 IFAA O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1 118399834 NYNZQNWKBKUAII-KBXCAEBGSA-N 428.443 2.948 0 50 IFAA in-vitro CC[C@H](C)c1nnc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)[nH]1 225416196 XCAICDXDKFOJKO-STQMWFEESA-N 437.566 2.895 0 50 IFAA COc1ccc(S(=O)(=O)N2CC(N[C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)C2)cc1 230251643 ZSWVYSLTRKUOJU-WUMKDDEVSA-N 441.597 2.568 0 50 IFAA CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]12 245245548 DAOJFFLKJUBXET-FCQWJQKHSA-N 425.485 2.504 0 50 IFAA C[C@H](CNC(=O)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1)c1ccccc1 245247228 SEYSCQWHGIRTND-NIKGAXFTSA-N 429.567 2.900 0 50 IFAA COC(=O)c1cn(Cc2nc(COc3ccc4ccccc4c3)no2)cc2c(=O)[nH]nc1-2 263587176 CZQOKUDFNYTESC-UHFFFAOYSA-N 431.408 2.626 0 50 IFAA CCc1ccc(C(=O)N2CCC3(CCc4c(O)nc(N5CCOCC5)nc43)CC2)s1 1857734509 UNQOLTCYXZBVQO-UHFFFAOYSA-N 428.558 2.763 0 50 IFAA C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC(C)(NC(=O)c2cnn3ccncc23)C1 2325827468 HERRXBWFCCGVIR-GFCCVEGCSA-N 448.310 2.834 0 50 IFAA C[C@H](NC(=O)c1nn(CCO)c2c1CN(Cc1cccc3c1OCO3)CC2)c1ccccc1 14534185 QFIXSJQYBJDRRF-KRWDZBQOSA-N 448.523 2.653 0 50 IFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)[C@H]1CC(=O)OC13CCCCC3)CC2 14741850 WVYLQJIVUZBSLM-QGZVFWFLSA-N 429.517 2.621 0 50 IFAA COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cnc(N(C)C)s2)CC1 20235644 FYAXGHQFIICXCH-UHFFFAOYSA-N 448.589 2.637 0 50 IFAA COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CNC(=O)c1ccco1 225737900 WWFSOJCXGXUIDZ-KRWDZBQOSA-N 443.500 2.839 0 50 IFAA COc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccccc2)cc1OC 245245210 BZYJITTWENPWEU-JTDSTZFVSA-N 440.443 2.973 0 50 IFAA CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 764987282 BDTFMXSWXLKJQV-CVEARBPZSA-N 427.542 2.528 0 50 IFAA O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1c(N2CCOCC2)noc1-c1ccccc1 1704314969 ZWJNNCSGUKOBRR-HXUWFJFHSA-N 440.544 2.551 0 50 IFAA CN(C)C(=O)CCC(=O)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857704674 BGPAGKRIQSYKKF-NRFANRHFSA-N 443.588 2.870 0 50 IFAA O=C(C[C@H]1CSCCS1)NCCN(CCc1ccccc1)C(=O)c1ccnc(O)c1 1875347129 IEKPSLCVQLETIF-IBGZPJMESA-N 445.610 2.827 0 50 IFAA Cc1c(NC(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)cccc1OC(F)F 2325896013 OQQBQRWKSGMUNN-INIZCTEOSA-N 443.406 2.610 0 50 IFAA O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 1130700 YWYPUHOIJOWAMO-QGOAFFKASA-N 425.872 2.839 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Br)c1 1138191 JBBBBIJDMFMZIY-UHFFFAOYSA-N 425.304 2.722 0 50 IFAA CCn1cc(CN(C)C(=O)c2cnn3c(C(F)(F)F)cc(-c4cn(C)nc4C)nc23)cn1 2782231 ABMPQMBWIOMVJG-UHFFFAOYSA-N 446.437 2.946 0 50 IFAA COCc1c(C(=O)NCCc2cccnc2)cnn1-c1nccc(-c2ccccc2OC)n1 11912584 OWKFICZNJQBRGX-UHFFFAOYSA-N 444.495 2.852 0 50 IFAA COC1CCN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC1 12244093 MDZDJAYJAQPBHJ-NRFANRHFSA-N 438.446 2.892 0 50 IFAA CN(C)C(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)[C@@H]1CC(=O)c3ccccc31)CC2 14741024 STDHADKXXXTCIN-OAHLLOKOSA-N 448.445 2.792 0 50 IFAA O=C(Nc1nc(O)nc(/C=C/c2ccccc2)n1)NS(=O)(=O)c1ccccc1Cl 15637080 WIPCFBXDDYGRKJ-ZHACJKMWSA-N 431.861 2.911 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3cccc(F)c3)cc2OC)CC1 19741579 UNEMSWZRUHIWCH-QFIPXVFZSA-N 431.552 2.501 0 50 IFAA C[C@@]12C(=O)N(CCCCCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@@]4(C)C3=O)C(=O)[C@@H]1[C@H]1C=C[C@H]2C1 101261490 RPIRGQBOYWGCNC-WAMNCWESSA-N 436.552 2.941 0 50 IFAA Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 804406515 LPPRAYGWISMRFI-LJQANCHMSA-N 428.510 2.920 0 50 IFAA COc1ccccc1[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCCC1 1321366775 JNBMOPNGGMBAKH-FQEVSTJZSA-N 429.542 2.695 0 50 IFAA Cc1nc(C)c(C(=O)N2CCC3(CCC[C@H]3NC(=O)c3cccn(C)c3=O)CC2)s1 1857680851 WVBQYSYMIHIREY-QGZVFWFLSA-N 428.558 2.664 0 50 IFAA O=C(Nc1cccc(Cn2cccnc2=O)c1)Nc1cccc(Cn2cccnc2=O)c1 2325704586 VJWRKXQSUMYFMF-UHFFFAOYSA-N 428.452 2.541 0 50 IFAA Cc1cnc([C@@H](C)NS(=O)(=O)c2cc(C(F)(F)F)cnc2NC[C@H]2C[C@H](O)C2)o1 2325823161 HUEXJLFDRZPXCE-NQBHXWOUSA-N 434.440 2.619 0 50 IFAA O=C1CC[C@H](N2Cc3cc(C(=O)N4CCCC[C@H]4c4ccccc4)ccc3C2=O)C(=O)N1 2325895770 JDVQSTOWIHKVRY-SFTDATJTSA-N 431.492 2.815 0 50 IFAA COc1ccc(C(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)c(OCCN)c1 2356138256 KEVVWFDRLVOHGK-UHFFFAOYSA-N 426.513 2.746 0 50 IFAA COc1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(OC)c1 653165 IWXLJTSKGVJLDM-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA CC(=O)c1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nc(=S)n(-c2ccccc2)c1C 1444207 JLTUVXRREGKHGO-SFHVURJKSA-N 426.542 2.940 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)N(C)Cc2ccccn2)(c2ccccc2Cl)C1=O 11790908 WDGMIOCCGWLRHE-QHCPKHFHSA-N 443.931 2.817 0 50 IFAA COc1cc(OC)c(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1Cl 33326762 XGVOEBWFOVKZTG-UHFFFAOYSA-N 434.928 2.876 0 50 IFAA O=C(CCN1CCCO1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 55243795 RVBLTJPUUQGWFS-HXUWFJFHSA-N 440.510 2.846 0 50 IFAA CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)cc1 59749707 RHJORXGGORQXGH-MRXNPFEDSA-N 438.594 2.876 0 50 IFAA Cc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c(Cl)c1 67602091 HZCAFEVKSAYOSV-UHFFFAOYSA-N 443.983 2.853 0 50 IFAA C[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 252477004 GKVKUHAUDZPPEK-QDMKHBRRSA-N 434.480 2.742 0 50 IFAA COc1cc(NC(=O)CC2(n3cccc3)CCOCC2)ccc1N1CCCCS1(=O)=O 409414482 SDJHYYLWWHUBJG-UHFFFAOYSA-N 447.557 2.961 0 50 IFAA Cc1ccc2nc([C@H]3CCCN(C(=O)C4=NN(c5ccccc5)C(=O)[C@@H](C)N4)C3)[nH]c2c1 752854479 GKLVOWKICRMOKX-SJORKVTESA-N 430.512 2.916 0 50 IFAA CC[C@@](O)(C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1)c1cccc(Cl)c1 800445520 TUFOILZFYKYGSI-QHCPKHFHSA-N 446.931 2.939 0 50 IFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2c(C)nc3cc(C)ccn23)cc1OC 1529195079 FRQAFAUSCCLGLF-DENIHFKCSA-N 425.485 2.543 0 50 IFAA CNC(=O)[C@@]1(Cc2cscn2)C[C@H]2CC[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1 1704309618 ZBDOZPKUCUAMSH-HFTRVMKXSA-N 425.963 2.697 0 50 IFAA COC(=O)CCCC(=O)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857703757 RAZACOVSRPGFOX-HXUWFJFHSA-N 430.545 2.955 0 50 IFAA O=C(COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Oc1ccccc1)c1ccc(Br)cc1 1023630 BJWXNJXPBSQTEG-RDJZCZTQSA-N 448.269 2.809 0 50 IFAA CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)NCCc1ccccc1 1128406 RZGCDFKJJFDDKR-UHFFFAOYSA-N 437.569 2.987 0 50 IFAA COc1ccc(N(CC(=O)NC[C@H](O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 3664930 UDGBWYODEKFTBJ-QFIPXVFZSA-N 440.521 2.740 0 50 IFAA biogenic Cc1ncc2c(c1CNC(=O)CCOc1ccccc1)CCN(C(=O)c1cc(C)n(C)n1)C2 11791343 IYFVQWDUOOSRQQ-UHFFFAOYSA-N 447.539 2.716 0 50 IFAA COCCN1CCC(CN(C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)CC1 11936134 MVNDVBQSBOIERJ-UHFFFAOYSA-N 433.622 2.812 0 50 IFAA C[C@@H](NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)c1cccs1 12431237 SAMUJTHMMAAGFT-OAHLLOKOSA-N 437.587 2.889 0 50 IFAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cc(COc2cccc3cccnc23)on1 12592426 LEELVQGPJMTBTC-INIZCTEOSA-N 425.441 2.596 0 50 IFAA COc1ccc(CN2C(=O)N(C)C3(CCN([C@H](C)CCn4cccn4)CC3)C2=O)cc1 14753036 DBZVONJYWRJTEJ-GOSISDBHSA-N 425.533 2.599 0 50 IFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1=O 15000267 HGCKFVQIHHIMHQ-UHFFFAOYSA-N 438.572 2.648 0 50 IFAA CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)CN2C(=O)CSC2=O)C1 15071758 GNVKHSDXLYRLKI-HXUWFJFHSA-N 438.933 2.750 0 50 IFAA Cc1nc(N2CCCCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1 65363093 FJZFQDBWKDBAKH-UHFFFAOYSA-N 437.516 2.564 0 50 IFAA O=C(NCc1cccc(Cl)c1)c1ccc(CN2C(=O)NC3(CCOCC3)C2=O)cc1 169773442 PYWBCYMOUNUSHX-UHFFFAOYSA-N 427.888 2.871 0 50 IFAA CCc1cc(=O)n(CC(=O)N2CCN(c3ccccc3OC)CC2)c(-c2ccccc2)n1 169779514 QACRLCFMQSKSPQ-UHFFFAOYSA-N 432.524 2.830 0 50 IFAA CC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 252484647 GCNJGALYGGLTRY-QANKJYHBSA-N 439.965 2.700 0 50 IFAA O=C(N[C@H]1CCCN(C(=O)NCC(=O)N2CCc3ccccc32)C1)c1cc2ccccc2o1 445732679 LUMVZZHCRYCHBN-IBGZPJMESA-N 446.507 2.926 0 50 IFAA Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CN2CCCC2)n3C)c(=O)c2ccccc12 1062805 TXBVDNZKACACLU-UHFFFAOYSA-N 430.512 2.826 0 50 IFAA COC(=O)CCCNC(=O)CC[C@]1(Cc2ccc(OC)c3ccccc23)CCC(=O)N1 14995217 FXCVUPVALAQVLM-XMMPIXPASA-N 426.513 2.889 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cccc(F)c2F)CC3)cc1 19837032 GOJOJZTXRSOSOL-UHFFFAOYSA-N 441.482 2.596 0 50 IFAA COc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c(OC)n1 55153054 IMHLVXLVMJRSGR-QGZVFWFLSA-N 428.508 2.665 0 50 IFAA Cc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(N2CCOCC2)n1 64799874 BFIZDCDYWHXXGS-UHFFFAOYSA-N 435.450 2.603 0 50 IFAA COc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)ccc1O 248138818 QCKNOIILUDZJLU-RVKKMQEKSA-N 428.338 2.644 0 50 IFAA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)C1 494890800 GMBIMDSAUGFGCG-IOXROZNGSA-N 443.975 2.735 0 50 IFAA O=C(N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c1cc2c(nc1O)CCC[C@H]2O 1451374257 BWEQEDZRWMQYII-QXAKKESOSA-N 435.446 2.917 0 50 IFAA C=CC(=O)Nc1ccc(O)c(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)CC23CCOCC3)c1 1875372163 YEXWLLRVCMPMHC-MRXNPFEDSA-N 445.516 2.805 0 50 IFAA CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 9186370 MTLKFNBDKXWBPZ-UHFFFAOYSA-N 436.541 2.810 0 50 IFAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cc[nH]n2)CCO3)C1 11911532 HONZXQLJRSHNPF-HXUWFJFHSA-N 425.577 2.885 0 50 IFAA CC(C)N(CCO)C(=O)c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1C1CC1 15066614 MXVAIZDWMUPKIH-UHFFFAOYSA-N 435.484 2.778 0 50 IFAA O=S(=O)(c1ccc(NC(=S)NCCc2cccc(Cl)c2)cc1)N1CCOCC1 19630959 UFICZEZEWDXOCA-UHFFFAOYSA-N 439.990 2.890 0 50 IFAA COCCn1c(CN2CCN(Cc3ccccc3)CC2)cnc1S(=O)(=O)CCC(C)C 20451595 PFVRIPKDFQDUET-UHFFFAOYSA-N 448.633 2.667 0 50 IFAA COc1ccc(CN(C)Cc2ccccc2Cl)cc1OC[C@@H](O)CN1CCN(C)CC1 20538634 YUGZWHVTHTXEAS-NRFANRHFSA-N 448.007 2.968 0 50 IFAA CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H]1CCN2CCCC[C@@H]12 229710648 HWSQTBDIFYDHFB-GIVPXCGWSA-N 426.586 2.829 0 50 IFAA COc1ccccc1OCC(=O)NC[C@@H](NC(=O)COc1ccccc1OC)C(C)(C)C 252500535 SXIUFUZQQCHFRT-OAQYLSRUSA-N 444.528 2.809 0 50 IFAA COCCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCCO2)C[C@H]1C 252503483 VDKDZQUEIAPUKF-IRLDBZIGSA-N 443.592 2.810 0 50 IFAA CCOC(=O)C1CCN(C(=O)C[C@@H](C)Nc2cnn(Cc3cn4ccccc4n3)c2)CC1 1875258939 LAKNSBADHCCRJO-QGZVFWFLSA-N 438.532 2.571 0 50 IFAA CC(C)CN1C[C@@H]2CN(C(=O)c3sc4ccccc4c3C[S@](C)=O)CCN2C1=O 1875263207 CMEZMNOVXWCQES-WNNBVUDTSA-N 433.599 2.998 0 50 IFAA O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCC[C@@]2(CO)CCC[C@@H]12 1875315198 KYVQVDUYCWTIKO-HJJLBPTMSA-N 444.553 2.925 0 50 IFAA O=S(=O)(c1ccc(N2CCOCC3(CCCC3)C2)nc1)N1CCOC[C@@H]1CC(F)F 1875342766 GJWLGCBBZNSPTA-INIZCTEOSA-N 445.532 2.523 0 50 IFAA C=CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 1875371884 OWYYPFCXNFHMPV-CRAIPNDOSA-N 448.361 2.794 0 50 IFAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1[nH]nnc1-c1ccccc1 2325815434 MNHNJPHGAVASHC-UHFFFAOYSA-N 441.513 2.907 0 50 IFAA CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 624604 KPIJTFBVGPHBFO-UHFFFAOYSA-N 438.307 2.932 0 50 IFAA Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 2591872 MDRRNSRBSNPMGZ-UHFFFAOYSA-N 437.949 2.748 0 50 IFAA Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc(=O)c2c1 8606753 WKSFJIKPALHLGR-UHFFFAOYSA-N 436.449 2.945 0 50 IFAA COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2ccc(F)cc2)cc1OC 8915381 SAKMJRLYVPELEG-GJYPPUQNSA-N 442.365 2.947 0 50 IFAA O=C(C[C@@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O)N1CCCCC1 12247061 DSSPACRTGMQQLC-VWLOTQADSA-N 435.524 2.950 0 50 IFAA COCCC(=O)N1CCC(Oc2ccc(C(=O)N(C)[C@H](C)c3ccncn3)cc2)CC1 12438514 IAUZZPGURFRLFZ-QGZVFWFLSA-N 426.517 2.716 0 50 IFAA COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1ccoc1)CC2 14543089 CUDNTVJMHQIONA-UHFFFAOYSA-N 426.517 2.553 0 50 IFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(-c3ccc(F)cc3)c2)CN1C1CCN(C)CC1 14879080 YTCLTYSUKVWOAA-GGAORHGYSA-N 439.531 2.933 0 50 IFAA COC(=O)c1c(S(=O)(=O)N2CCCCCC2)sc2c1CCN(C(=O)C1(C)CC1)C2 14985275 KNGHMLHRVJOWOY-UHFFFAOYSA-N 440.587 2.784 0 50 IFAA COc1ccccc1CN1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 15000026 FYDIWTYUXOMDGF-IBGZPJMESA-N 435.524 2.792 0 50 IFAA Cc1ccc(S(=O)(=O)Oc2nc(N(C)C)nc3c2CN(C(=O)OC(C)(C)C)CC3)cc1 35287603 NRSBSDLDMYIPEO-UHFFFAOYSA-N 448.545 2.912 0 50 IFAA in-vitro CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(Cl)cc4)c2=O)CCCCC3)no1 169763966 MGDKUEXHQKBDJP-UHFFFAOYSA-N 443.891 2.641 0 50 IFAA COc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(=O)N3)[nH]n1 206238740 LTKKIDVNYGIBHJ-LJQANCHMSA-N 431.452 2.894 0 50 IFAA CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc23)c1CN1CCC[C@H](C(N)=O)C1 299765655 BLJVTJXXRAGLNY-AWEZNQCLSA-N 441.919 2.948 0 50 IFAA CN1CC[C@@H](C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c2ccccc21 750728269 INWBSVNFIZTFIK-OAHLLOKOSA-N 429.527 2.901 0 50 IFAA CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1Cc2cnn(-c3ccccc3)c2C1 819371813 UYVYTZDLESHDDF-UHFFFAOYSA-N 440.450 2.974 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@@H](c2nc(CNS(=O)(=O)c3ccc(F)cc3)no2)CC1=O 2325762727 MGNWFRCVCZHMJX-HOCLYGCPSA-N 444.488 2.764 0 50 IFAA Cc1c(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)c(=O)n(-c2ccccc2)n1C 1062496 JXVCLUJUEPVWIB-UHFFFAOYSA-N 431.477 2.959 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 2998790 OYAVZDYMDHXZND-UHFFFAOYSA-N 445.560 2.884 0 50 IFAA COC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 5023223 PJKOLNKWGPPYIW-APWZRJJASA-N 430.526 2.893 0 50 IFAA CC[C@@H](C)C(=O)N1CCC([C@@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 12035943 VUVOYCWYNHDHQQ-IQMFZBJNSA-N 431.533 2.799 0 50 IFAA COCCNC(=O)c1nn(CCC(C)C)c2c1CN(Cc1ccc(NC(C)=O)cc1)CC2 14543356 AHRPSYHIZUTPEI-UHFFFAOYSA-N 441.576 2.822 0 50 IFAA O=C(c1nn(Cc2ccccc2)c2c1CN(Cc1ccc(O)cc1)CC2)N1CCOCC1 14755019 JBLBUULTXPMBLT-UHFFFAOYSA-N 432.524 2.668 0 50 IFAA Cc1ccc(N2C(=O)C[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1Cl 19214384 FESAVINAIRTZJW-IBGZPJMESA-N 441.915 2.827 0 50 IFAA Cc1cccc2nc(CNCc3c(C(=O)N4C[C@H](C)O[C@H](C)C4)nc4sccn34)cn12 19794984 QQFURZHLIXYSGY-IYBDPMFKSA-N 438.557 2.891 0 50 IFAA CN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC[C@H]2CCCO2)CC1 23362863 UMRQIRGHLVPBEW-HSZRJFAPSA-N 441.547 2.914 0 50 IFAA Cc1ccc2c(c1)N(C(=O)Cn1ccn3nc(-c4ccc(F)cc4)c(CO)c3c1=O)CCO2 169752345 XUERHMQPQZYFIV-UHFFFAOYSA-N 448.454 2.528 0 50 IFAA CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@H]1CCCc2ccccc21 252443951 BYPPENLLCHBPQV-SQJMNOBHSA-N 434.540 2.970 0 50 IFAA Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)Cc2c(C)[nH]c3ccnn3c2=O)c1 768360150 ONDBIQWQFXGZEZ-QFIPXVFZSA-N 430.508 2.944 0 50 IFAA Cc1cc(O)n2nc(CNC(=O)[C@@H]3CCCC[C@H]3C(=O)N3c4ccccc4C[C@H]3C)nc2n1 1875262203 UPDPUBAVLAKPFT-KBAYOESNSA-N 448.527 2.539 0 50 IFAA CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccccc2)cc1 912529 KPJOSMIWQKISRA-UHFFFAOYSA-N 425.510 2.992 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1OC 1156868 ABGXWTVYBRZUEL-MRXNPFEDSA-N 432.542 2.982 0 50 IFAA COc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1 2871660 SGJXTHKHYAYUAV-GFCCVEGCSA-N 446.558 2.810 0 50 IFAA Cc1ccc(C)c(C(=O)N2CCC(N3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)c1 11956822 GDNTYJQSDHIFMN-QFIPXVFZSA-N 427.589 2.915 0 50 IFAA CCn1cc(C(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1 11998098 OGMCZZLGPNPXRR-UHFFFAOYSA-N 436.516 2.984 0 50 IFAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)C[C@@H]1C[C@@H](C)NC(=S)N1)O2 12028840 XOUMYVLOMXEOAJ-MDASCCDHSA-N 437.565 2.991 0 50 IFAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CN(C)Cc2ccncc2)CC1 12430749 WCPGPXSQEOKEDG-UHFFFAOYSA-N 439.556 2.937 0 50 IFAA COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)CN1CCCCCCC1 12750599 PFKNGVKVHKVLES-QHCPKHFHSA-N 447.620 2.755 0 50 IFAA CC[C@@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N(c1ccccc1)S(C)(=O)=O 13711292 SBNATTBOHHNXCI-IBGZPJMESA-N 442.541 2.668 0 50 IFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)Cn2cncn2)O3)c1 14995993 WCRUKGLJMJPOSL-INIZCTEOSA-N 428.876 2.736 0 50 IFAA CCc1cc2c(=O)n(NC(=O)CSCc3ccccc3)c(SCC(N)=O)nc2s1 19647998 OMMRGQISXLWYBQ-UHFFFAOYSA-N 448.595 2.601 0 50 IFAA O=C(c1ccncc1)N1CCC2(CC[C@H](CNC(=O)C3(N4CCCC4)CCCC3)O2)CC1 299760908 PZRCAOAYHWCKGH-OAQYLSRUSA-N 440.588 2.760 0 50 IFAA COCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CCN(CCC(C)C)CC2)C1=O 11974724 LTOAOWDHEHSSSS-XMMPIXPASA-N 431.577 2.933 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)N[C@@H](C)Cc2ccsc2)(c2ccccc2)C1=O 12041077 NCAFGUAKUPOHFQ-GAJHUEQPSA-N 428.554 2.919 0 50 IFAA CC(C)CN1C[C@H](OCc2ccccn2)CN(C(=O)c2coc3c2C(=O)CCC3)CC1=O 14534637 GRKHOISGYFYPFG-SFHVURJKSA-N 439.512 2.719 0 50 IFAA CCOC(=O)N1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)CC1 16757199 YLFGTPDQMGFLLC-UHFFFAOYSA-N 441.513 2.709 0 50 IFAA Cc1ccc(-c2noc(CCC(=O)NCCN3CCN(Cc4ccccc4)CC3)n2)cc1 20155653 ROVVYVHPFBDPLO-UHFFFAOYSA-N 433.556 2.912 0 50 IFAA CN(C)C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 59759847 TXHSSEFREXSQCT-UHFFFAOYSA-N 436.578 2.630 0 50 IFAA O=C(NCc1ccc(CN2CCOCC2)o1)c1cccc(I)c1 170595040 HKLQYHGWGRKDJF-UHFFFAOYSA-N 426.254 2.646 0 50 IFAA CO[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC[C@@H]1C 170603472 UXJOUDXQJWVKLV-WMLDXEAASA-N 448.507 2.990 0 50 IFAA O=C(O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 225484444 VBSGCWJXXCJWGM-IERDGZPVSA-N 437.471 2.971 0 50 IFAA CCOC(=O)c1sc(NC(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)c(C(=O)OCC)c1C 252679784 REUNKDMUNRGHEQ-GZSHQJSSSA-N 430.548 2.783 0 50 IFAA CC(=O)Nc1cccc(N2C(=O)N[C@@H](CCC(=O)NCCn3ccc4ccccc43)C2=O)c1 253415167 ZWMGIMPOWIGZRR-FQEVSTJZSA-N 447.495 2.621 0 50 IFAA CN(C[C@@H]1CCCCO1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O 299766782 HEYBRJJMVCSUPM-SQJMNOBHSA-N 435.524 2.696 0 50 IFAA CCOc1ccc2nc(N3C[C@H](C(=O)N4CCn5nc(C)cc5C4)CC3=O)sc2c1 1857721345 KWVGJDFWRFJVCC-CQSZACIVSA-N 425.514 2.595 0 50 IFAA CCOc1ncccc1S(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 2325819937 VLRMPTUHZCRTTN-UONOGXRCSA-N 425.304 2.851 0 50 IFAA CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N1CCC(N3C[C@H](C)O[C@H](C)C3)CC1)C2 14733526 BBNQKFREYRNHNM-ZVDOUQERSA-N 443.636 2.570 0 50 IFAA CS(=O)(=O)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 20030364 KXSROBQZJVCMNP-UHFFFAOYSA-N 441.597 2.592 0 50 IFAA Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c(Cl)c1 65362352 IGIVUBOGUJOWTH-UHFFFAOYSA-N 430.940 2.938 0 50 IFAA NC1(CCNC(=O)N2CC[C@](c3nc(-c4ccc(F)cc4)no3)(C(F)(F)F)C2)CC1 952893407 LXAJMHFKCNOXLD-SFHVURJKSA-N 427.402 2.973 0 50 IFAA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 1339064291 YTWLXCSEJHZBSI-YIGJPRQDSA-N 441.576 2.537 0 50 IFAA Cc1nc[nH]c1CN(CCO)C(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 1704306058 UXOHWWNNZCJWKL-UHFFFAOYSA-N 426.561 2.889 0 50 IFAA COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 780529 JBRKBXKFDDOCAQ-UHFFFAOYSA-N 426.469 2.981 0 50 IFAA Cc1cc(C)n(CC(=O)NCc2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)n1 12160748 AMSGVMHTWHWCIP-IBGZPJMESA-N 440.573 2.727 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccc(F)cc2)c(C)c1C 12313885 MLHKBEVQDYNJTR-OAQYLSRUSA-N 427.520 2.800 0 50 IFAA COc1ccccc1N1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 18148682 OSHHXULSMJTMEH-GOSISDBHSA-N 444.329 2.912 0 50 IFAA Cc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)cc1C 20775077 STJYJDIHYUHFIX-RBBKRZOGSA-N 425.577 2.803 0 50 IFAA CCOc1cc(NC2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)CC2)ncn1 466605827 DLYCDSIFEPYLAF-IBGZPJMESA-N 437.544 2.635 0 50 IFAA O=S(=O)(c1ccc2ccccc2c1Br)N1CCC[C@H](c2nc(O)n[nH]2)C1 1309549472 JSFZWCWLRUALBI-LBPRGKRZSA-N 437.319 2.994 0 50 IFAA O=C(Cn1cccnc1=O)N1CCCCN2CCCC[C@H]2CCc2cccc(c2)OCC1 1857705522 KYXLUVNZGPEOIJ-QFIPXVFZSA-N 438.572 2.732 0 50 IFAA CO[C@@H]1CC[C@@]2(C(=O)N3CC(F)(CNC(=O)[C@@H](C)c4ccc(N(C)C)cc4)C3)CC[C@@H]12 2325839454 UPYJSNZGKQWFTD-QSXDINTFSA-N 431.552 2.728 0 50 IFAA O=C1N/C(=C/c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc(Br)cc1 6975262 IOWJQRGPNVETRG-LFIBNONCSA-N 432.274 2.972 0 50 IFAA CCN(CC)C[C@H](O)COc1ccc(CNCCSc2nnc(C)s2)cc1OC 12052342 BAIDNASZBGDWMB-KRWDZBQOSA-N 440.635 2.819 0 50 IFAA CC(C)CN1C[C@@H](OCc2cccc(F)c2)CN(C(=O)c2[nH]nc3c2CCCC3)CC1=O 14534610 HVSGPWVOMSXNRW-LJQANCHMSA-N 442.535 2.953 0 50 IFAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1c(F)cccc1F)C2 14731716 VZKZUEXUXGSJGV-INIZCTEOSA-N 432.515 2.937 0 50 IFAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC[C@@H]2CN(S(=O)(=O)N(C)C)CC[C@@H]21 15001581 IEIRXLGEODXSCP-JZXOWHBKSA-N 443.997 2.535 0 50 IFAA COc1cc(CN2CCN(Cc3cnn(-c4ccccc4)c3)C[C@@H]2CCO)cc(OC)c1 20455774 ACISBRXQWDUEGH-QHCPKHFHSA-N 436.556 2.958 0 50 IFAA O=C(NCCCN1CCc2ccccc2C1)c1cccc(S(=O)(=O)N2CCCC2)c1 32398906 XDXFXGRJISBIKM-UHFFFAOYSA-N 427.570 2.649 0 50 IFAA COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)c2ccccc2oc1=O 217885181 VZKZZOZNJCZDFA-CQSZACIVSA-N 449.415 2.806 0 50 IFAA biogenic O=C(NC1CCN(Cc2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1)C1CCCC1 263615882 FRZOQJQXMLPMNR-QFIPXVFZSA-N 427.524 2.960 0 50 IFAA Cc1cc(C(=O)COc2ccc(-c3cccnc3N3CCOCC3)cc2)c(C)n1CC(N)=O 1875387798 XVXVYCFJUVSUOH-UHFFFAOYSA-N 448.523 2.751 0 50 IFAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccccc2)cc1 1012525 FHAGPBJDLPIHLH-UHFFFAOYSA-N 437.521 2.924 0 50 IFAA CNC(=O)c1nn(C)cc1NC(=O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1 2799011 JINXSZIRJVEBMW-UHFFFAOYSA-N 444.316 2.900 0 50 IFAA CCc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(OC)cc2OC)cc1 11661353 MAUYCWFYZWMJSL-JOCHJYFZSA-N 439.556 2.615 0 50 IFAA CN(C)CCN1C(=O)C[C@@](CC(=O)N(C)C(C2CC2)C2CC2)(c2ccccc2Cl)C1=O 11814162 MRXAIAAYULANSP-DEOSSOPVSA-N 445.991 2.935 0 50 IFAA Cc1nc(CN2C[C@H](OCc3ccccn3)CN(C(=O)c3occc3C)CC2=O)cs1 14540470 UCFLFUMSWAGCGI-IBGZPJMESA-N 440.525 2.818 0 50 IFAA CC[C@@H](C)CNc1cc(C(=O)N2CCCN(C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1 14732300 KQISLYCLWKXUKC-QGZVFWFLSA-N 438.638 2.999 0 50 IFAA CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccc(-n3cccn3)cc2)c1=O 15001167 LNGHSICVDAMVKB-UHFFFAOYSA-N 433.512 2.829 0 50 IFAA COc1ccc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc3ccccc23)cc1 15066249 BNRZXFZCKIRYNP-XMMPIXPASA-N 431.536 2.898 0 50 IFAA COc1cccc(OC[C@@H](O)CNC(=O)CCN2Cc3cc(C)ccc3O[C@@H](C)C2)c1 39541332 TWHNVDDEDQZRBK-ICSRJNTNSA-N 428.529 2.533 0 50 IFAA COc1ccc(CNCCc2ccccc2Cl)c(OC[C@H](O)CN2CCN(C)CC2)c1 96775241 IEJJKCCEXBMTAF-OAQYLSRUSA-N 448.007 2.668 0 50 IFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)O)CC2)cc1 239235871 WXCCJTKEOOTJCM-PWIZWCRZSA-N 434.558 2.700 0 50 IFAA FC(F)(F)c1nnc(N2CCN(C[C@@H]3CN(Cc4ccccc4)CCCO3)CC2)s1 551443691 GVYYBQYWLXLXNK-QGZVFWFLSA-N 441.523 2.970 0 50 IFAA CN(C)c1n[nH]c(CNC(=O)NCc2ccccc2-c2ccc(Cn3cccn3)cc2)n1 1477775284 WRXNOUNHUIWGOE-UHFFFAOYSA-N 430.516 2.782 0 50 IFAA O=S(=O)(NC12CCC(CC1)OC2)c1ccc(N2CCC(Nc3cccnc3)CC2)nc1 1875335981 NZKSTWIJPAFBEL-UHFFFAOYSA-N 443.573 2.547 0 50 IFAA COCCS(=O)(=O)c1ccc(CC(=O)NCc2noc(-c3ccccc3)c2C)cc1 2325819120 SQOOWAFYCVDASA-UHFFFAOYSA-N 428.510 2.929 0 50 IFAA CO[C@H](C(=O)N1CCC([S@](C)(=O)=NC(=O)[C@H]2CCC[C@@H](C)C2)CC1)c1cnn(C)c1 2332239120 XIYDOPQAQIYABX-MTSYTYDSSA-N 438.594 2.549 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 656709 XSVOIHRNXJIFCD-UHFFFAOYSA-N 445.541 2.567 0 50 IFAA O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ccccn2)CC1 702414 NQGKKLQRLINZAC-UHFFFAOYSA-N 428.558 2.609 0 50 IFAA O=CN1CCCN(C2CCN(c3ccc(CC(=O)NCc4ccccc4)cc3)CC2)CC1 11912331 GDOXNOMDCIBHAB-UHFFFAOYSA-N 434.584 2.678 0 50 IFAA COc1cc(CN(C)CCc2ccccn2)ccc1OC[C@@H](O)CN1CCSCC1 11937968 WOFJKSPZXGLAMP-NRFANRHFSA-N 431.602 2.553 0 50 IFAA Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(I)cc3)ccc21 16447697 MPLDLAOIHIGOEU-UHFFFAOYSA-N 430.223 2.537 0 50 IFAA Cc1ccccc1CN1CCC(N2CCC(C(=O)NCCN3CCCCC3=O)CC2)CC1 55227108 RTJDOVQGYOPTKG-UHFFFAOYSA-N 440.632 2.800 0 50 IFAA O=C1CCCCN1CCCC(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55244241 ORKSFHVHOBXMHN-JOCHJYFZSA-N 430.568 2.731 0 50 IFAA COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NC[C@H](O)C(F)(F)F)C(=O)OC2 221938358 TWWWRUAKAABLOO-DEYRLNKFSA-N 431.407 2.688 0 50 IFAA CCN(C(=O)c1ccc2c(=O)n(CC)c(O)nc2c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1439243501 CTWMZKUKDAKJHA-HNNXBMFYSA-N 430.505 2.594 0 50 IFAA Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cccc(Cn3cccn3)c2)cn1 1857734835 UNPRVQWBWCTFFW-ZEQRLZLVSA-N 448.571 2.733 0 50 IFAA CCc1ccsc1C(=O)N=[S@](C)(=O)C1CCN(C(=O)COC[C@@H]2CCCO2)CC1 2332238518 BDHPYHDHOPIKSF-GUNSETOZSA-N 442.603 2.735 0 50 IFAA COc1ccc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)cc1OC 6348654 KUUJDYBZJUESGB-UHFFFAOYSA-N 427.482 2.933 0 50 IFAA O=C(NCCc1ccc(F)cc1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10660454 DGFYBFVQQCWWMS-UHFFFAOYSA-N 436.413 2.858 0 50 IFAA CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1c(F)ccc(F)c1F)C2 11995879 ZSYHSSMUQRHMNN-UHFFFAOYSA-N 441.475 2.835 0 50 IFAA CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 12027217 FBYZALIZHKEPFI-UHFFFAOYSA-N 435.546 2.612 0 50 IFAA CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cc(OC)c(OC)c(OC)c1)CC2)C(C)C 12126534 WVQZCPATJDSBNO-OAQYLSRUSA-N 445.564 2.586 0 50 IFAA Cn1c(=O)c2c(nc(NCc3cccnc3)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O 49574158 PQUUMFBNVFTRNU-UHFFFAOYSA-N 444.417 2.508 0 50 IFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)COc4ccc(F)cc4)ccn3n2)c1 169777070 SBYUBDBYMCPNKW-UHFFFAOYSA-N 436.443 2.506 0 50 IFAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)cc1 248383292 ZSEGZJLUJNPPPJ-UWHHFBIGSA-N 429.476 2.629 0 50 IFAA CN1CCN(c2ncc(CN3CCN(C(=O)OC(C)(C)C)Cc4ccccc43)cn2)CC1 252480109 BVTXKGOOPDWZLI-UHFFFAOYSA-N 438.576 2.986 0 50 IFAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)C1CCN(c2ncccn2)CC1 409414611 NIKKGYQHKSLTQW-FCHUYYIVSA-N 429.609 2.823 0 50 IFAA biogenic O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1nnc(-c2ccsc2)s1 487584983 SIFFVYXYSKHQHK-UHFFFAOYSA-N 428.543 2.729 0 50 IFAA O=C(Nc1cncnc1N1CCCC1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 499449608 NIXBKNNKKSPBOD-CYBMUJFWSA-N 430.306 2.831 0 50 IFAA Cn1cc(C(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3C(=O)C2)ccc1=O 1857688947 SLPCWGYUNAXJBZ-OAQYLSRUSA-N 437.540 2.624 0 50 IFAA COc1cccc([C@H](C)S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 2325819530 HUXXBPMTYFXKIE-GJYPPUQNSA-N 430.526 2.812 0 50 IFAA CC1(C)CCC[C@@H](OC(=O)NCc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)C1 2325887161 WRCGRDFQEXUIEP-AEFFLSMTSA-N 427.501 2.643 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1cccc(Br)c1 879964 DOLFAJQVAQABGI-UHFFFAOYSA-N 427.276 2.583 0 50 IFAA Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc3c(c1)OCCO3)CC2 11996089 RJHIFDDCOIEWJL-HNNXBMFYSA-N 437.500 2.500 0 50 IFAA CCN(CC)C[C@H](O)COc1ccc(CNCc2ccc(C(=O)OC)cc2)cc1OC 12112348 GPFRVSPRDHPVJD-NRFANRHFSA-N 430.545 2.853 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(Cl)cc1Cl 13566659 KPCZIOLNXXBECY-UHFFFAOYSA-N 428.297 2.745 0 50 IFAA CC(C)(C)C(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2CCCc2ccccc2)C1 14745551 LOIKYBSNWQTNRU-UHFFFAOYSA-N 438.572 2.919 0 50 IFAA COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN([C@H](C)CCn2cccn2)CC3)cc1 14753955 GBTOIEHPTOSXOB-LJQANCHMSA-N 439.560 2.642 0 50 IFAA O=C1CC[C@@H](CCNCCOc2ccc(F)cc2)N1C[C@@H]1CCCN(c2ncccn2)C1 14985654 PLSCSHGKHPIHCL-CTNGQTDRSA-N 441.551 2.882 0 50 IFAA O=S(=O)(c1ccc2ccccc2c1)N(C[C@H](O)CN1CCOCC1)c1ccccc1 20150253 NRHAHXFSEJKCFS-JOCHJYFZSA-N 426.538 2.728 0 50 IFAA CN1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2)CC1 23134208 LBFXMBKNZKOKSF-UHFFFAOYSA-N 442.585 2.865 0 50 IFAA COc1ccc(NC(=O)CN2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)cc1 170599764 STMRLLYXWYNMLO-SFHVURJKSA-N 448.564 2.519 0 50 IFAA COC(=O)c1ccc(CN2CCOc3ccc(CN4CCC(C(N)=O)CC4)cc3C2)cc1 299766618 KHLYBIFBVOVAHL-UHFFFAOYSA-N 437.540 2.565 0 50 IFAA COC(=O)Cc1occc1C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 328589950 WUOLGXRQCJODAG-HUUCEWRRSA-N 434.514 2.914 0 50 IFAA CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 409415248 YAHFNFQPAGKEMR-RBUKOAKNSA-N 437.496 2.971 0 50 IFAA O=C(c1cccc(-n2cnnn2)c1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 482351063 NHNCYAOZOZYECL-WZONZLPQSA-N 427.468 2.906 0 50 IFAA NC(=O)c1cc(Cl)cc(S(=O)(=O)N(Cc2ccccc2F)C2CCOCC2)c1 1875259108 VZXKRGBLOOZHTR-UHFFFAOYSA-N 426.897 2.948 0 50 IFAA O=C(OCc1ccccc1)N1CCC[C@@](O)(Cn2ccnc2I)C1 1875288859 HJYNKQJQNFVQIG-QGZVFWFLSA-N 441.269 2.651 0 50 IFAA C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)Nc1cnn2cccnc12 2325818510 GQOOPEYYTDVOBQ-OCCSQVGLSA-N 428.290 2.835 0 50 IFAA COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1OC 869490 RYKMPMOBXFDEEB-SFHVURJKSA-N 448.541 2.503 0 50 IFAA CNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCc2cc(OC)cc(OC)c2)c1=O 12035877 CZTOQVQNJODZAA-UHFFFAOYSA-N 427.501 2.660 0 50 IFAA O=C(Cn1ccnc1-c1ccccc1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 12317462 CBKBUVCOICZBPX-KRWDZBQOSA-N 444.582 2.829 0 50 IFAA CC[C@@H](C)C(=O)C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccc(F)c2)CC1 23129647 CYHWKDZTWLHOEJ-NQIIRXRSSA-N 443.563 2.714 0 50 IFAA Cc1ccc([C@@H](O)CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 225564536 HZFSWJXITAXUCM-FQEVSTJZSA-N 436.961 2.899 0 50 IFAA COc1ccc(-c2cc3ccc(OCC(=O)N[C@H](CO)C(C)C)cc3oc2=O)cc1OC 253404750 HYJCSPUUESRMDC-LJQANCHMSA-N 441.480 2.989 0 50 IFAA biogenic Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)[C@@H]1CCCCN1C)C2 299780204 RXQGWWZTFGOFAW-NRFANRHFSA-N 426.586 2.679 0 50 IFAA CN1CCN(Cc2nc3ccc(NC(=O)c4ccc5nc6n(c5c4)CCC6)cc3[nH]2)CC1 2325880062 SQYHNCYCZWHKEL-UHFFFAOYSA-N 429.528 2.859 0 50 IFAA O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1152509 NGYGFOYXZCQAFI-UHFFFAOYSA-N 443.294 2.861 0 50 IFAA COc1cc(CN2CCC(CCNC(C)=O)CC2)ccc1OC[C@H](O)CN(C)C(C)C 12298696 CPCCQHKRKCDYOA-JOCHJYFZSA-N 435.609 2.513 0 50 IFAA COc1cccc(CC(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3cccnc3)C2)c1 14537866 JWNIBVUTMVOBBH-JOCHJYFZSA-N 425.529 2.545 0 50 IFAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)c1ccc3[nH]cnc3c1)CC2 14745611 YSKCBUKCXZJIAL-UHFFFAOYSA-N 428.496 2.708 0 50 IFAA O=C(NCCN1CCOCC1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 19774485 CDPQIRNCECSSPE-UHFFFAOYSA-N 437.397 2.616 0 50 IFAA COc1ccccc1CNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O 206244113 KFRRNCYSWBMJBN-HXUWFJFHSA-N 434.496 2.736 0 50 IFAA Cc1cccc(NC(=O)C2CCN(CN3C(=O)N[C@]4(C3=O)[C@@H](C)CCC[C@H]4C)CC2)n1 252458645 YYGPCWIFYJFTGJ-MICWEPACSA-N 427.549 2.745 0 50 IFAA CCOC(=O)[C@@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@H]1c1cc(OC)c(OC)c(OC)c1 1848444171 RUXFQLATLCPIFX-WIYYLYMNSA-N 431.441 2.681 0 50 IFAA COc1cc(C(=O)N=[S@@]2(=O)CCCN(C(=O)[C@@H]3CCOc4ccccc43)CC2)sn1 2332239154 YLGORPCHIGWXAU-DHMKHTPVSA-N 449.554 2.559 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCc1ccncc1 12308192 MNBTWFAENOPMSM-DEOSSOPVSA-N 428.536 2.798 0 50 IFAA O=C(C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 14993053 SDNURDMSHUZZPR-HSZRJFAPSA-N 445.563 2.842 0 50 IFAA COC(=O)CCCC(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 19607872 RYHJJDIKDOOIQA-QFIPXVFZSA-N 443.588 2.693 0 50 IFAA CN1CCCC[C@H]1CNC(=O)[C@H]1CC(=O)c2sc(NC(=O)c3cccc(F)c3)nc2C1 39400139 NZLGNTQLTBFDFQ-ZBFHGGJFSA-N 444.532 2.880 0 50 IFAA C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2ccc([Si](C)(C)C)cc2)C1=O 170613011 LAUSPKKYSRWRNS-OAQYLSRUSA-N 430.602 2.603 0 50 IFAA COc1ccc(CCN2C(=O)N[C@H](CC(=O)Nc3c(C)nn(C(C)C)c3C)C2=O)cc1 206234910 PURQXKQYTVCKKF-GOSISDBHSA-N 427.505 2.581 0 50 IFAA Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1 226848213 XNOJCESXXBKQNX-UHFFFAOYSA-N 428.537 2.862 0 50 IFAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1ccccc1Cl 229892457 ZBMSHHNCKGMYTQ-KCXPTXFHSA-N 425.847 2.910 0 50 IFAA C[C@H](CCc1ccccc1)NC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 252346984 ODIVOGBZXBNPLY-YVQBJZRFSA-N 446.503 2.839 0 50 IFAA O=C(C[C@H]1N=C(O)N(Cc2ccccc2Cl)C1=O)Nc1ccc(Cn2cncn2)cc1 252568976 VSEAPMNXFQDGQA-GOSISDBHSA-N 438.875 2.633 0 50 IFAA O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)Nc1cccc(F)c1 253387487 XJBDZSPQTFKDCT-QAQDUYKDSA-N 447.532 2.665 0 50 IFAA CC(C)(C)OC(=O)N1CCC(CNC(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)O)CC1 253483600 PMJXXYFXVGVQIV-VQTJNVASSA-N 445.560 2.583 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2nc3ccc(C)cc3[nH]2)C1 1857682191 RQNLFSXRULWASG-OHUGHZGNSA-N 439.604 2.700 0 50 IFAA CO[C@@H]1CCC[C@@H]1C(=O)N1CCC([S@@](C)(=O)=NC(=O)c2cnn(C(C)(C)C)c2)CC1 2332239186 ZQFWCGMDPULTFA-RAZKKESJSA-N 438.594 2.682 0 50 IFAA COc1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1OC 816942 BBSIBYNOGZCSRW-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 1070224 VASFVOCIMRVALV-UHFFFAOYSA-N 444.481 2.720 0 50 IFAA Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCCOc2ccc(Cl)cc2)cc1 2879348 FSMXRIVWQXSNTL-GOSISDBHSA-N 436.917 2.523 0 50 IFAA CCc1ccc(NC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C)cc32)cc1 8673272 HGVWDKMYPBMXJD-UHFFFAOYSA-N 433.555 2.577 0 50 IFAA aggregator O=C(Cn1cc(NC(=O)CCOc2ccccc2)cn1)NCCCn1ncc2ccccc21 12034494 QAAJAHBTPRJCQT-UHFFFAOYSA-N 446.511 2.847 0 50 IFAA CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccc(=O)n(C)n1 12094330 VWCOLGJYJMZYSP-UHFFFAOYSA-N 436.478 2.826 0 50 IFAA COc1cc(CNCc2ccc(Cl)s2)ccc1OC[C@@H](O)CN1CCC(O)CC1 12197286 VQRFAZPYJDLBTF-KRWDZBQOSA-N 440.993 2.896 0 50 IFAA O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 12301548 XNCHJZUZKMOMCV-FQEVSTJZSA-N 438.553 2.844 0 50 IFAA O=C(Nc1cccc(Cl)c1Cl)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 14539254 FGJJVWRAEGRCGU-XKQJLSEDSA-N 447.322 2.826 0 50 IFAA COc1cc(CN[C@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)cc(OC)c1OC 14749183 AHOBAELGLFJYKA-KRWDZBQOSA-N 442.560 2.719 0 50 IFAA O=C(Cc1cccc(F)c1)NCc1nnc2n1CCN(Cc1cccc(F)c1F)CC2 14964509 VVFDKSHHHTYJOT-UHFFFAOYSA-N 429.446 2.613 0 50 IFAA O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1coc(CN2CCc3ccccc3C2)n1 14977936 WOAPHRVLYAHNMY-GOSISDBHSA-N 432.528 2.669 0 50 IFAA Cc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)NCCCN2CCOCC2)cc1 19833589 XIHBIUUFLQQPKT-XLNRJJMWSA-N 425.504 2.744 0 50 IFAA O=C(NCCc1nnc2n1CCN(Cc1cccc3ccccc13)CC2)c1cccnc1 20598547 RDAUNYSFQZVSAY-UHFFFAOYSA-N 426.524 2.857 0 50 IFAA CCCCCn1c(=O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(O)c2ccccc21 100467424 BDBVEOYSSZFSPG-UHFFFAOYSA-N 429.498 2.797 0 50 IFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2cc(F)ccc2F)C2=C1C(=O)OC2 169758161 OUYGAEGURRQLFI-FQEVSTJZSA-N 443.406 2.879 0 50 IFAA O=S(=O)(c1ccc(I)cc1)N1CCN(c2ccc(F)cc2)CC1 231424058 LJCJQVAXQDYZBE-UHFFFAOYSA-N 446.285 2.941 0 50 IFAA CCN1CCC[C@H](C(=O)NCc2nc(-c3ccccc3NS(=O)(=O)CC)oc2C)C1 299755988 AZYGBXGRALSQHH-INIZCTEOSA-N 434.562 2.760 0 50 IFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(Cc2nc4ccccc4n2C)CCO3)CC1 299769538 SHHYSCILXQANOP-UHFFFAOYSA-N 433.556 2.632 0 50 IFAA Cc1cccc(CNC(=O)[C@H]2CC23CCN(C(=O)[C@@H]2CC(=O)OC24CCCCC4)CC3)n1 299776255 MDOZHIMOVUIPBW-VQTJNVASSA-N 439.556 2.901 0 50 IFAA CCN1CCC[C@@H]1CNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1COC 299783351 ZRNGVOOQQAICKJ-OAHLLOKOSA-N 426.546 2.751 0 50 IFAA O=C(C1CCN(c2ccc3nnnn3n2)CC1)N1CCC[C@@]2(CCCc3ccccc32)C1 440003068 OJZDSTYTCWHUCM-DEOSSOPVSA-N 431.544 2.632 0 50 IFAA CN(C)c1nc(N)nc(COc2cccc(NC(=O)c3cccc(-c4cnn(C)c4)c3)c2)n1 741684809 ZPOQOCYSTNRZIZ-UHFFFAOYSA-N 444.499 2.752 0 50 IFAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CC(=O)N[C@@H](Cc4ccccc4)C3)c2)o1 1772703173 JVYAOUFIHCHCBC-IBGZPJMESA-N 425.510 2.690 0 50 IFAA C[C@H](NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1)C(=O)Nc1cccc(N2CCCC2)c1 1875254620 WKTOKSBMIFQMCU-LXBDKUERSA-N 434.540 2.950 0 50 IFAA CNc1cncc(C(=O)N2CCCO[C@@H](CNC(=O)[C@H](C)c3cccc(Cl)c3)C2)c1 1875330856 FJBRPCXWNLLCQR-QRWLVFNGSA-N 430.936 2.928 0 50 IFAA CC(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@]2(Cc3cccc(Br)c3)CCNC2)C1 2325828569 LEVGGMJZDXUJOY-WIYYLYMNSA-N 436.394 2.735 0 50 IFAA CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 8683743 BOFJPWVOVAOPRT-UHFFFAOYSA-N 433.549 2.795 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)NCc2ccc(OC)cc2)(c2ccccc2C)C1=O 11814335 SEYGYDNGULNPDN-VWLOTQADSA-N 438.524 2.743 0 50 IFAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CCc2ccc(=O)[nH]n2)CC1 19641823 RNPDSRMPXYWHPK-UHFFFAOYSA-N 425.529 2.897 0 50 IFAA O=C([C@@H]1CC(Cc2cccc(F)c2)=NO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20293624 DYQVVHAFWFBLDZ-QFIPXVFZSA-N 425.460 2.586 0 50 IFAA COc1cc(=O)n2c(c1C(=O)N(C)Cc1cscn1)CCN(Cc1cccs1)CC2 20854337 REIKYIBQKPOVOI-UHFFFAOYSA-N 444.582 2.705 0 50 IFAA O=C1CCCCN1CCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55283888 ZJMOEOFSDPZQNV-NRFANRHFSA-N 432.996 2.856 0 50 IFAA COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)CC1 55342654 UQSRAPFGTPEXCH-KRWDZBQOSA-N 425.558 2.831 0 50 IFAA CN1CC[C@@H](NCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)[C@H]1c1ccccc1 225845703 HANQKENKIZAUFV-FYYLOGMGSA-N 438.597 2.849 0 50 IFAA CCOc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1 10382379 RJSWXUXIBNWNMA-SFHVURJKSA-N 442.493 2.876 0 50 IFAA COC(=O)[C@@H](CCSC)NC(=O)c1cc(Cl)ccc1OC1CCN(C(C)=O)CC1 12715346 VLVBTFIKDSBDAI-QGZVFWFLSA-N 442.965 2.754 0 50 IFAA CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)[C@@H]2COc3ccccc3C2)CC1=O 14533099 JDYLOOBSIMBIJG-VXKWHMMOSA-N 437.540 2.545 0 50 IFAA COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)CCN3CCCC3=O)C2)cc(OC)c1 14970735 WVWQCBXNQVYAFN-QGZVFWFLSA-N 431.533 2.674 0 50 IFAA COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cccc(F)c4N4CCSC[C@H]43)C2=O)cc1 248121409 DXQGJFBWXYNNQA-JTSKRJEESA-N 441.484 2.582 0 50 IFAA Cc1ccc([C@H](CNC(=O)N2CCN(C(=O)c3ccccc3O)CC2)N2CCCC2)o1 436562626 LBPOKKDBRGMXTJ-IBGZPJMESA-N 426.517 2.598 0 50 IFAA COc1ccc(C[C@@]2(CCC(=O)NC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)CCC(=O)N2)cc1 824661813 AOWMFUWDWBIZPG-ZZHDAYTDSA-N 426.557 2.867 0 50 IFAA Cc1ccc(Cc2ccccc2C(=O)N[C@@H]2C[C@H]3CO[C@@H](CC(=O)N(C)C)CN3C2)cc1 1857731052 JAAZTYHFWAVKIL-VJBWXMMDSA-N 435.568 2.636 0 50 IFAA Cc1cnn(C2CCN(C(=O)C(=O)N[C@@H](C)c3nc4ccccc4n3C(F)F)CC2)c1 2325706477 YCMMHIJQWYKQAH-AWEZNQCLSA-N 430.459 2.977 0 50 IFAA O=C(O)Cn1c(=O)n(Cc2ccc(Br)cc2F)c(=O)c2ccc(Cl)cc21 596737 SXONDGSPUVNZLO-UHFFFAOYSA-N 441.640 2.851 0 50 IFAA biogenic,investigational COc1cc(/C=c2/sc3nc(-c4ccc(Cl)cc4)nn3c2=O)ccc1OC(C)=O 2533664 VDUHIFBZCREFEB-LICLKQGHSA-N 427.869 2.953 0 50 IFAA COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1-c1noc(C)n1 8587222 ROPVPVRZMXTAGL-UHFFFAOYSA-N 432.477 2.704 0 50 IFAA C/C=C(\C)CN1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 11967342 QYSHFGQRIAGUIM-KHYDFDAGSA-N 445.951 2.659 0 50 IFAA COCc1c(C(=O)N2CCN(C3CCCC3)CC2)cnn1-c1nccc(-c2ccco2)n1 12078383 DUGXVCDCFQTVCK-UHFFFAOYSA-N 436.516 2.769 0 50 IFAA COc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 12184499 XKKFLCRQWFCMTM-JOCHJYFZSA-N 434.544 2.867 0 50 IFAA Cc1nonc1C(=O)N(Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCCCNC1=O 12190819 SVUWLDWGNUMBSU-FQEVSTJZSA-N 435.484 2.663 0 50 IFAA CCN(CCO)C(=O)c1cnn(-c2nccc(-c3ccc(OC)c(F)c3)n2)c1C1CC1 12453105 MSKJGDSLRKBTSJ-UHFFFAOYSA-N 425.464 2.809 0 50 IFAA Cc1ccc(S(=O)(=O)N2C[C@H]3[C@@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 247998217 CIJNUGYMNLRZJV-CIQOUTPZSA-N 434.517 2.606 0 50 IFAA C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1cccc(-n2[nH]nnc2=N)c1 1298395175 IDJAFSCDPMUNOK-YVEFUNNKSA-N 432.406 2.696 0 50 IFAA C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)c1nc(C(F)(F)F)cs1 1467522726 ALFZZZFQZCEKDV-SUHUHFCYSA-N 445.438 2.683 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2noc(C3CCCC3)n2)C1 1857703520 UFAVMNSGSJXHNR-JXALWOEJSA-N 445.608 2.556 0 50 IFAA O=C(CCN1CCCCCC1=O)NC[C@@H]1CCC[C@H](NC(=O)Cc2cccc(O)c2)C1 1857709680 LQAFWTCEARJVJU-UXHICEINSA-N 429.561 2.519 0 50 IFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)NCC(C)C)cc(c1)-n1ccnc1-2 1857723992 GPJLHULHNYARBC-UHFFFAOYSA-N 434.496 2.942 0 50 IFAA O=C(NCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 6492132 HJVBLAAZDWCHSP-AWEZNQCLSA-N 438.347 2.561 0 50 IFAA CN(Cc1nccn1C)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O 11785047 APFICQIPOXPHBZ-QHCPKHFHSA-N 426.492 2.547 0 50 IFAA CCCCc1nc(CN2CCC([C@]3(Cc4ccccc4F)NC(=O)NC3=O)CC2)c[nH]1 11789894 ZXUQHGICACVWAB-QHCPKHFHSA-N 427.524 2.924 0 50 IFAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3ccccc3)CN(Cc3nccn3C)C2)cn1 14731856 MNNHZDRTNPXPIK-XZOQPEGZSA-N 447.583 3.000 0 50 IFAA COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Br)C(=O)[C@H]3N3CCCN23)cc1 19172559 YDAZWDQJHIXODA-QRVBRYPASA-N 442.313 2.993 0 50 IFAA O=S(=O)(NC1CCNCC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F 40955762 ITBGJNVZJBVPLJ-UHFFFAOYSA-N 448.488 2.569 0 50 IFAA in-vitro NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1c[nH]nc1-c1ccccc1F 801280261 ADFLDIPOIVIICY-KRWDZBQOSA-N 439.447 2.715 0 50 IFAA CCOCC(=O)N1CCC(C(=O)N2CCC3(CC2)C[C@@H](O)C[C@H](c2ccccc2)O3)CC1 1857741524 WYWXGOQSBQENRG-FCHUYYIVSA-N 444.572 2.535 0 50 IFAA O=C(NCCn1c(O)nc2ccccc21)NCc1cc(-c2ccc3c(c2)OCCO3)on1 1875362052 NZQPDEFIRNVCJB-UHFFFAOYSA-N 435.440 2.668 0 50 IFAA COc1ccc(S(=O)(=O)Nc2ccccc2)cc1NS(=O)(=O)N1CCC[C@@H](C)C1 2325736868 JGWYKOQXJCSHSQ-OAHLLOKOSA-N 439.559 2.885 0 50 IFAA COCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 2865317 XKOBXQXPEJMHQL-UHFFFAOYSA-N 436.555 2.698 0 50 IFAA Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)o1 9273806 PICIDSBJNRYOBS-AWEZNQCLSA-N 430.526 2.756 0 50 IFAA COc1ccc(NC(=O)CC[C@H]2NC(=O)N(Cc3ccc(OC)c(OC)c3)C2=O)cc1 206252914 GJZWVEWTQDJBEB-QGZVFWFLSA-N 427.457 2.552 0 50 IFAA O=C(COC[C@@H]1CCCO1)N[C@@H](CO)c1ccc(Br)cc1C(F)(F)F 225444887 GUUDAYOWHOQDLL-FZMZJTMJSA-N 426.229 2.813 0 50 IFAA CN(C[C@H](O)COc1ccc(Cl)cc1Br)[C@H]1CCC[C@H]1S(C)(=O)=O 252675354 TVOVFUMLBFCUFG-DUVNUKRYSA-N 440.787 2.740 0 50 IFAA COC(=O)c1sc(NC(=O)CCN2C=Cc3cc(OC)c(OC)cc3CC2=O)nc1C 253395564 AMINKBLILSMHFK-UHFFFAOYSA-N 445.497 2.640 0 50 IFAA biogenic Cc1cc(C(=O)NCCc2nnc(SC[C@H]3CCCO3)n2-c2ccccc2F)n(C)n1 299792178 GPTOIPAXUMUUTG-OAHLLOKOSA-N 444.536 2.692 0 50 IFAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C(=O)c2ccc(C(F)(F)F)nc2)cc1OC 1529191983 LSORWCUVIYOLHA-SJLPKXTDSA-N 426.391 2.692 0 50 IFAA O=C(O)[C@@]1(Cc2ccccc2)CCN(Cc2cc(=O)n3c4c(cccc24)CCC3)C[C@H]1O 1704324952 BCPXPZSKDJOHLW-ATIYNZHBSA-N 432.520 2.828 0 50 IFAA O=C(N[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)CCNC2=O 1875358546 AAZWWXKZBAZNOZ-MMBYWDADSA-N 443.547 2.921 0 50 IFAA CN(C)CCc1ccccc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2CCN(C)C)C1 2325813427 OWEHVOVKOXGVGO-HZCBDIJESA-N 436.600 2.586 0 50 IFAA Cc1nccc2c(S(=O)(=O)NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cccc12 2325819515 HPURNXSTQDAYSV-WMZOPIPTSA-N 437.521 2.958 0 50 IFAA O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccc2c(c1)OCO2 2865805 JWUWADVZBOZPDO-UHFFFAOYSA-N 436.453 2.836 0 50 IFAA CCCCOc1ccc(CNC(=O)c2cnc3sc(N4CCCC4)nn3c2=O)cc1 8603395 RWSBXQNQYGHQQT-UHFFFAOYSA-N 427.530 2.860 0 50 IFAA CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CCN(C(=O)CCN1CCCCO1)CC2 12054913 NGKHNQCFZZLCQA-RPWUZVMVSA-N 443.588 2.950 0 50 IFAA COc1ccccc1CCNc1ncnc2sc(C(=O)NC[C@@H]3COCCO3)c(C)c12 12098821 MJFZNOYWBFBPAI-MRXNPFEDSA-N 442.541 2.808 0 50 IFAA COc1ccc(CCN2CCC(CN(C)C(=O)[C@H](CCSC)NC(C)=O)CC2)cc1 12386346 CRAOWDBUPAHKDW-QFIPXVFZSA-N 435.634 2.666 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)NCc1nc2ccccc2s1 14950523 DMJIPMDOLDNHJA-INIZCTEOSA-N 430.480 2.581 0 50 IFAA CSc1nccc(N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)n1 19147384 FFHOTDNRCNJIMO-GOSISDBHSA-N 426.590 2.939 0 50 IFAA CC[C@H](C)C(=O)NCc1nnc2n1CCN(Cc1ccc(OC)c(OC)c1Cl)CC2 19835863 CORMJSQUVSFMBP-AWEZNQCLSA-N 435.956 2.669 0 50 IFAA Cc1nn(C)cc1CN1CCN(C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)CC1 20028551 RDHFSIVSOFTPJP-CYBMUJFWSA-N 432.878 2.811 0 50 IFAA Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 170602470 UWILMXMAWSKSSP-MOPGFXCFSA-N 446.527 2.810 0 50 IFAA CCNC(=O)COc1ccc(NC(=O)c2cnn(CCN(C)C)c2-c2ccccc2)cc1 253429815 ILCVCFNOVTZIDN-UHFFFAOYSA-N 435.528 2.879 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)C2CCCCC2)cc1Cl 1062064 DKVWFZCPGCFZCE-UHFFFAOYSA-N 430.954 2.531 0 50 IFAA CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N[C@H](C)CC)cc2)cc1 1108571 VJQGOBNEODUFJO-OAHLLOKOSA-N 434.514 2.958 0 50 IFAA NC(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1 2415347 VVNQQTUQFIGHNR-UHFFFAOYSA-N 437.262 2.568 0 50 IFAA CCN(CCO)C(=O)c1cnn(-c2ncc3c(n2)-c2cc(OC)ccc2CC3)c1C1CC1 12218664 KYXOCGUYSDYZDP-UHFFFAOYSA-N 433.512 2.768 0 50 IFAA COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(Cc2cn(C)nc2C)C3)cc1 14537534 MDYDXZTURRLOJF-UHFFFAOYSA-N 448.571 2.627 0 50 IFAA Cc1ccc(SC2CCN(C(=O)[C@H]3CCC(=O)N(CCN4CCOCC4)C3)CC2)cc1 14956165 CLLJJWKGNRQSOD-FQEVSTJZSA-N 445.629 2.649 0 50 IFAA CC1=C(C)C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@@H](C(=O)O)C1 19645495 VCRBEMFPSXYYNR-KGLIPLIRSA-N 446.978 2.682 0 50 IFAA CCOc1ccccc1CN1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1 20910134 BJHRNCGZPSTHIF-UHFFFAOYSA-N 425.577 2.974 0 50 IFAA COCCN1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1 55271974 FFJBOMWXZWTTFI-UHFFFAOYSA-N 438.572 2.529 0 50 IFAA Cc1nc(-c2c3n(c(=O)n(Cc4cccc(Br)c4)c2=O)CCCCC3)no1 169764034 ABKIEAKKYNZVNH-UHFFFAOYSA-N 431.290 2.906 0 50 IFAA CCOCCO[C@H](C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(Br)c1 170608597 XKNYOWAZJFBOPO-OAHLLOKOSA-N 428.371 2.577 0 50 IFAA O=C(N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O)[C@H]1CCCN(C(=O)c2ccccc2)C1 225484511 VBSGCWJXXCJWGM-KKSFZXQISA-N 437.471 2.971 0 50 IFAA COc1cc(OC)cc(-c2nnc(SCC(=O)NS(=O)(=O)c3ccc(C)cc3)o2)c1 253420721 KYNFPLQWQJFGOS-UHFFFAOYSA-N 449.510 2.659 0 50 IFAA Cc1ccc(F)c(N2CCC[C@H](NC(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)C2)c1 1875263524 NZYGUKOFQPCSOU-ZPKPKTPASA-N 425.548 2.911 0 50 IFAA O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCC(c2nc3c(s2)CCC3)CC1 1875333550 AXQLUWBQHPRKDV-UHFFFAOYSA-N 437.573 2.692 0 50 IFAA C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)[C@H](C)CN1C(=O)c1ccc2c(c1)OCCO2 1459094 ZMXWDHVUZDHASS-HZPDHXFCSA-N 438.480 2.604 0 50 IFAA COc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1 2857653 OYLSDCCTLYNVFC-UHFFFAOYSA-N 439.534 2.546 0 50 IFAA CN(c1cccc(NC(=O)c2ccc(I)cc2)c1)S(C)(=O)=O 2882798 XCHNCJSDTRDWTO-UHFFFAOYSA-N 430.267 2.939 0 50 IFAA C[C@@H]1C[C@@]2(C[C@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1 8014925 FTZRUURQZZDBSC-RSULWSAWSA-N 435.889 2.814 0 50 IFAA COc1cc(CN(C)Cc2csc(C)n2)ccc1OC[C@@H](O)CN1CCSCC1 15064492 LKAQMOGESQNACO-IBGZPJMESA-N 437.631 2.881 0 50 IFAA O=C(NCCc1nnc2n1CCN(Cc1ccc(-c3ccco3)cc1)CC2)C1CCOCC1 20452195 CELBZKPXBGJKMS-UHFFFAOYSA-N 449.555 2.682 0 50 IFAA O=C(C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)N1CCN(c2ccccc2)CC1 24613087 JGWYNIJPNVVUNF-UHFFFAOYSA-N 445.560 2.716 0 50 IFAA CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCN(C(C)C)CC2)c1=O 55357656 SORKGMXXZNNNLG-UHFFFAOYSA-N 430.593 2.906 0 50 IFAA CCOc1ccc(N(CN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)C(=O)C(F)(F)F)cc1 239310421 IKBUZJDGSJVNQY-ZCVDQKGDSA-N 434.414 2.991 0 50 IFAA O=C(O)CN(CCc1ccccc1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 427727990 NPTMBEGOKDVIPA-HXUWFJFHSA-N 426.488 2.763 0 50 IFAA O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 428001294 PMHHFWMPSYZMPL-OCMRUPBZSA-N 428.532 2.818 0 50 IFAA COc1ccccc1C[C@H](NC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(C)C 477661145 BVFDJZZEOPWTEZ-ZDUSSCGKSA-N 437.426 2.718 0 50 IFAA Cc1noc(C)c1CO[C@@H]1CN(CC(C)C)C(=O)CN(C(=O)c2onc3c2CCCC3)C1 821236084 GXHIQKUNUGMFAT-QGZVFWFLSA-N 444.532 2.684 0 50 IFAA Cc1noc2nc(C(C)C)cc(C(=O)NCCN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c12 888088662 KPOQNIPBIIFBRZ-SJORKVTESA-N 435.528 2.665 0 50 IFAA O=C(Nc1cnn(-c2ncccc2Cl)c1)C(=O)Nc1cnn(-c2ncccc2Cl)c1 2325734590 NYEBQDZSLYSVIH-UHFFFAOYSA-N 443.254 2.732 0 50 IFAA COc1ccc(C(=O)N2CCCN(c3nc(O)c4cnn(-c5ccccc5)c4n3)CC2)cc1 2325737367 YYGZIIODYJHWBW-UHFFFAOYSA-N 444.495 2.882 0 50 IFAA CSc1ccccc1N1C(=O)CN(C(=O)CCn2cnc3ccccc3c2=O)C[C@@H]1C 12005055 IMBMFXLKTKVFCO-INIZCTEOSA-N 436.537 2.772 0 50 IFAA O=c1c2c3c(sc2ncn1CCN1CCOCC1)C[C@H](NC1CCCCCC1)CC3 12159332 QFZXSLKYRVYRAG-GOSISDBHSA-N 430.618 2.960 0 50 IFAA COC(=O)c1cc(CNC(=O)[C@H]2CCOC(C)(C)C2)cc(NC(=O)c2cc(C)nn2C)c1 12162558 MTOHBEQQNMCLGG-INIZCTEOSA-N 442.516 2.589 0 50 IFAA COC(=O)c1ccc(-c2nc(CN3CCC(C(=O)N4CCOCC4)CC3)c(C)o2)cc1 12386053 KSKWVTMVPCJMDW-UHFFFAOYSA-N 427.501 2.507 0 50 IFAA CO[C@H](C(=O)N1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1)c1ccccc1 14539267 JDECRZJEWZWMAM-QHCPKHFHSA-N 432.524 2.906 0 50 IFAA Cc1cc(C)n(-c2cccc(-c3cc4c(n(C)c3=O)CCN(C(=O)[C@@H]3CCOC3)C4)c2)n1 19148556 QGKXOSFIGIAMGX-LJQANCHMSA-N 432.524 2.776 0 50 IFAA CCN(CC)CCN(C)C(=O)C1CCN(C2CCN(Cc3cccc(C)n3)CC2)CC1 19224858 ATHLUUYNFFQCMH-UHFFFAOYSA-N 429.653 2.867 0 50 IFAA C[C@@H](CCS(=O)(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 253534391 IFQRFKVUXUJKEV-SGCXTRAYSA-N 444.634 2.862 0 50 IFAA COc1ccc([C@H](CC(=O)NCc2ccccn2)c2c(O)n3ccccc3nc2=O)cc1 1776111861 UVKCHIFCXXESNJ-IBGZPJMESA-N 430.464 2.642 0 50 IFAA CCOc1ccc([C@@H](N)C(=O)NS(=O)(=O)c2cc(Br)sc2C)cc1 2325860251 ALJUREWVRNZHJQ-CQSZACIVSA-N 433.349 2.723 0 50 IFAA CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896380 XKRINYDQVIHZNC-FYYLOGMGSA-N 445.519 2.843 0 50 IFAA O=C1CC[C@H](N2Cc3ccc(CNc4ncnc5sc6c(c45)CCC6)cc3C2=O)C(=O)N1 2325897874 LGFXQEDJHGCKEI-INIZCTEOSA-N 447.520 2.553 0 50 IFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(C(=O)OC)c(OC)cc1OC 628475 KLCAFWOMJMCKFC-UHFFFAOYSA-N 447.484 2.851 0 50 IFAA CC[C@@H](OC(=O)c1cc(C)nc2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 781751 ZQZGCRWOTGTEOC-LJQANCHMSA-N 427.482 2.765 0 50 IFAA CC(=O)Nc1c(O)n(-c2ccccc2)c(SCC(=O)N[C@@H](C)c2ccccc2)nc1=O 1132524 LQPGEYMRUUSWSS-AWEZNQCLSA-N 438.509 2.866 0 50 IFAA NS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CCCN(CCc4ccccc4)C3)C2)cc1 11710853 PUUJWFIBJVMXJM-HSZRJFAPSA-N 427.570 2.505 0 50 IFAA CCn1cc(C(=O)Nc2nccs2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 12323310 PKQWMJFAQJVJHL-UHFFFAOYSA-N 443.504 2.538 0 50 IFAA CCCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(OC)cc2)C3)CC1 263619421 YPJDCBZAVMKLKI-HXUWFJFHSA-N 426.517 2.542 0 50 IFAA COc1ccc2c(ccn2CCCNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)c1 334161011 QWMSMSGBALZZSH-HXUWFJFHSA-N 434.496 2.687 0 50 IFAA CC(C)(C)OC(=O)N1CCC[C@@]2(C1)NC(=O)N(CN1CCc3cc(Cl)ccc3C1)C2=O 812286863 FVYCEUUPTWBILI-QFIPXVFZSA-N 448.951 2.977 0 50 IFAA COc1cc(-c2onc(N(C)C)c2C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)ccc1F 1704337565 XMDBPFYTQHOBIN-GASCZTMLSA-N 434.512 2.784 0 50 IFAA COc1ccc(Br)cc1[C@@H](CO)NC(=O)CCCNC(=O)c1ccccc1 1875255940 JPLOWYCGBXYVPZ-QGZVFWFLSA-N 435.318 2.818 0 50 IFAA CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)NCc2cccc(CN)c2)CC1 1875351597 BPYMWEFIGJQZEM-UHFFFAOYSA-N 435.494 2.915 0 50 IFAA Cc1c(C(=O)N2CCCCNC(=O)C[C@@H]3CCCCN3CCC2)[nH]c2c1C(=O)CCC2 2100533449 PLDJIDAUAJIEGO-SFHVURJKSA-N 428.577 2.829 0 50 IFAA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 2838315 LIMSHTZLDPXYTG-OAHLLOKOSA-N 433.530 2.628 0 50 IFAA NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 3000279 PPQVCAJBSJSYRP-UHFFFAOYSA-N 437.543 2.654 0 50 IFAA CN(C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)C1CCOCC1 12716377 SDHCPLQXLROUMX-QHCPKHFHSA-N 437.540 2.807 0 50 IFAA O=C(CCc1cccnc1)NCc1nnc2n1CCN(Cc1c(F)cccc1Cl)CC2 19838673 KUIUGAZUQLGPDO-UHFFFAOYSA-N 442.926 2.773 0 50 IFAA Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1 21794616 AURKLDBCDAPYMX-UHFFFAOYSA-N 448.493 2.518 0 50 IFAA O=C(Cn1c(=O)c(=O)n(Cc2ccco2)c2ccc(C(F)(F)F)cc21)NCc1ccco1 45221937 RYXJXLUMCKUPSF-UHFFFAOYSA-N 447.369 2.733 0 50 IFAA COc1cc(NC(=O)CN2C(=O)N[C@@H](c3ccc(C)cc3)C3=C2COC3=O)cc(OC)c1 169780817 RJEUBHBBPCEAKF-NRFANRHFSA-N 437.452 2.528 0 50 IFAA CCS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)c1 472334292 AMTIOONBUUDFBU-AUUYWEPGSA-N 427.519 2.770 0 50 IFAA CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCN(C(=O)CC)C3)c2)cc1 474557470 KDMFVVCYAKZICA-GOSISDBHSA-N 445.541 2.627 0 50 IFAA C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[C@H]1OCCc2sccc21 817052045 UOYNPMUCXVBODC-RTBCOKGWSA-N 430.526 2.639 0 50 IFAA CSCC(=O)N1C[C@H]2CN(C(=O)c3scc4c3CCCC4)C[C@]2(CCC(=O)O)C1 1772804065 FEDPUSHQCHTQTK-BTYIYWSLSA-N 436.599 2.755 0 50 IFAA CN(C)c1nc(N2CCCCC2)c2c(n1)C1(CC2)CCN(C(=O)C2CCOCC2)CC1 1857685939 ARVKYLZRQXDMII-UHFFFAOYSA-N 427.593 2.766 0 50 IFAA O=C([C@H](O)c1ccc(Cl)cc1Cl)N1CCO[C@@H](Cn2cc(-c3ccncc3)nn2)C1 1875358310 QYFJCNQOQVJFLJ-DNVCBOLYSA-N 448.310 2.608 0 50 IFAA CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)cc1 1133731 YLDVDUKNINUZFT-UHFFFAOYSA-N 429.542 2.890 0 50 IFAA NC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1 3061871 SLVOBDYJIHVATI-UHFFFAOYSA-N 445.324 2.898 0 50 IFAA CC(=O)NCCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 11841037 CICOBIXKGNVGKX-UHFFFAOYSA-N 435.952 2.908 0 50 IFAA Cc1cc(C(F)(F)F)nc(CCNC(=O)Cn2cc(NC(=O)c3ccccc3)cn2)n1 11997245 FQFVKMXDYMFQRN-UHFFFAOYSA-N 432.406 2.612 0 50 IFAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(CCc1ccccc1)CC2 14541631 RGBRGQCEYAJHNM-UHFFFAOYSA-N 436.556 2.960 0 50 IFAA Cc1ccc2nc(C(=O)N3CCc4c(c(C(=O)N(C)C)nn4Cc4ccccc4)C3)cn2c1 19595365 IHHLNWLXCPCUGQ-UHFFFAOYSA-N 442.523 2.788 0 50 IFAA CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Br)c(O)c2)cc1 170607779 RNCDENUONBVQCB-UHFFFAOYSA-N 441.303 2.664 0 50 IFAA COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCn1ccc3ccc(F)cc31)C=C2 217725462 NHADJISSAXJNTE-UHFFFAOYSA-N 437.471 2.969 0 50 IFAA biogenic Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)N3CCCCCC3)CC2)cc1 245257001 VNLLBJQDKFFWIE-MXVIHJGJSA-N 449.617 2.599 0 50 IFAA CSCC[C@@H](NC(=O)CCn1c(O)nc2ccccc2c1=O)c1nc2ccccc2[nH]1 886024156 KBMCFAGJLBDFCH-GOSISDBHSA-N 437.525 2.979 0 50 IFAA CN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccc2c(c1)nc(O)n2[C@H]1CC[C@H](O)CC1 1506421398 PIOAXFJBNPJRIS-WKILWMFISA-N 448.483 2.935 0 50 IFAA NS(=O)(=O)C1(CNc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)CCC1 1875362533 JCMIUJIUMLZIFF-UHFFFAOYSA-N 430.559 2.650 0 50 IFAA CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2c1C 1064016 PMOFAUWBZPTDIJ-UHFFFAOYSA-N 443.481 2.909 0 50 IFAA CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2C)CC1 4580698 MNYIBWQTKOAZSX-UHFFFAOYSA-N 425.485 2.927 0 50 IFAA CC(=O)Nc1ccc(NC(=O)CSc2nnc(C[C@@H](C)O)n2-c2ccccc2)cc1 8705740 ATTVNSZHPCHADY-CQSZACIVSA-N 425.514 2.880 0 50 IFAA O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCN(C(=O)c2cccs2)CC1 11714537 OBKMKOGLFRSTKP-UHFFFAOYSA-N 433.896 2.779 0 50 IFAA CCOC(=O)c1ccc(CNCc2ccc(OC)c(OC[C@@H](O)CN(C)C(C)C)c2)o1 11759088 MUSOSSDMLJEKOA-SFHVURJKSA-N 434.533 2.835 0 50 IFAA CCN1CCN(C(=O)c2ccccc2OC2CCN(Cc3ccccn3)CC2)[C@@H](C)C1=O 11821212 BVXZLILZBBKJQO-IBGZPJMESA-N 436.556 2.818 0 50 IFAA COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O 12038017 HHAYTEJFSONWNO-UHFFFAOYSA-N 443.588 2.969 0 50 IFAA CCn1ccnc1CNC(=O)c1cc(OC)ccc1OC1CCN(C(=O)C2CC2)CC1 12445759 CFJFEHPJNSJOEB-UHFFFAOYSA-N 426.517 2.621 0 50 IFAA COc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c(OC)c1C 14883590 ADYCOUFTJMAKOC-TZIWHRDSSA-N 432.561 2.821 0 50 IFAA CCc1ccc(CN(C)Cc2ccc(OC[C@@H](O)CN3CCOCC3)c(OC)c2)cc1 15070425 TXUGPGUAAJAHNS-QHCPKHFHSA-N 428.573 2.962 0 50 IFAA COc1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)NCCCO)cc1 16115246 SFFNLLQGUAETOX-QGOAFFKASA-N 433.302 2.727 0 50 IFAA Cc1nnc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)o1 19334022 WGRJQBQFDJDUEK-NRFANRHFSA-N 449.511 2.519 0 50 IFAA c1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c2nonc2c1 19790935 JDLQKRVLWQNOBI-FQEVSTJZSA-N 435.528 2.734 0 50 IFAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(Cc1cccc3ncccc13)CC2 23128995 BZQCVDUMUKOMHP-UHFFFAOYSA-N 432.524 2.699 0 50 IFAA Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1 218419112 PZSVYVZMUOAVFG-MRXNPFEDSA-N 445.449 2.769 0 50 IFAA CC(=O)O[C@H]1CC[C@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@]1(C)CC[C@H]43 254702319 IRJWPUOTLSQRFN-AMNBYXQDSA-N 444.524 2.835 0 50 IFAA Cc1cc(C(=O)NCCc2nnc(SC[C@@H]3CCCO3)n2-c2ccccc2F)n(C)n1 299792151 GPTOIPAXUMUUTG-HNNXBMFYSA-N 444.536 2.692 0 50 IFAA O=C(NCc1ccc(Cn2ccccc2=O)cc1)Nc1cccc(Cn2cccnc2=O)c1 1875253104 MQMNVWPFVMWXKX-UHFFFAOYSA-N 441.491 2.823 0 50 IFAA COc1cc(Br)cc(OC)c1C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)O 1875323136 YQGUMCZZTKNBEP-GFCCVEGCSA-N 438.274 2.845 0 50 IFAA OCCn1cc(-c2nc(-c3ccc4nc[nH]c4c3)nn2[C@@H]2CCCc3ccccc32)nn1 1875347985 DPQKGHXWDHQBJX-OAQYLSRUSA-N 426.484 2.998 0 50 IFAA COc1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1 1015646 VJNVCSYPYJMGLY-UHFFFAOYSA-N 443.319 2.726 0 50 IFAA Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c12)CCCC3 2206979 USDJCAVECLYMDM-UHFFFAOYSA-N 449.583 2.531 0 50 IFAA CCOC(=O)CN(C)C(=O)c1c(CCc2ccccc2)n(C[C@@H]2CCCO2)c(C)cc1=O 12053473 UHNRFIHFGVRHLK-FQEVSTJZSA-N 440.540 2.756 0 50 IFAA O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1cccnc1 12374794 HTJCLEVCLFPZGN-HNNXBMFYSA-N 448.279 2.725 0 50 IFAA COc1ccc(CN(C)Cc2cnccn2)cc1OC[C@H](O)CN(C)Cc1ccccc1 12587452 WIFSHSXAWKNMPS-HSZRJFAPSA-N 436.556 2.989 0 50 IFAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cccc(Cl)c2)cc1 12712907 LIQBRSHMGOQHTC-OAQYLSRUSA-N 429.948 2.788 0 50 IFAA COc1ccc(CN2CCN=C(O)[C@H]2CC(=O)N(C)Cc2nc(C)cs2)c(OC)c1 82056114 GOAHEELJOFYKGY-QGZVFWFLSA-N 432.546 2.658 0 50 IFAA COc1ccccc1CCNC(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 165944657 WOAARLPMCZVZKU-UHFFFAOYSA-N 444.491 2.948 0 50 IFAA COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)N2CCCN2[C@H]3c2ccc(Br)cc2)cc1 239377834 OCXOEGZKKXKHMB-GBESFXJTSA-N 442.313 2.993 0 50 IFAA O=C(CCC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)N[C@H]1CCC[C@H]1Cc1ccco1 252693102 AUDRWADRXKYILE-HDAAZOAOSA-N 437.540 2.695 0 50 IFAA CS(=O)(=O)Cc1noc(CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)n1 785968909 IFEAKCOSMIKPES-UHFFFAOYSA-N 427.526 2.765 0 50 IFAA CCc1ccc(-c2ccc(C(=O)N(CC(=O)NC)C[C@H](C)CN3CCOCC3)o2)cc1 1857527505 BQZYOXXFXNRUBG-GOSISDBHSA-N 427.545 2.666 0 50 IFAA CCCn1nc(C2CCOCC2)nc1[C@H]1OCC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 2100537089 IEIAWFGBPHVKEH-UXHICEINSA-N 430.505 2.528 0 50 IFAA O=C(CCc1ccccc1)Nc1ccnn1C1CCN(S(=O)(=O)c2cccnc2)CC1 11821066 JBIXASDYSDZBFL-UHFFFAOYSA-N 439.541 2.875 0 50 IFAA O=C(NCCc1nnc2n1CCN(C(=O)c1c(F)ccc(F)c1F)CC2)C1CCCCC1 12049182 KHTRHKSUSLJOAK-UHFFFAOYSA-N 449.477 2.633 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)N(CC2CC2)C[C@@H]2CCCO2)(c2ccccc2)C1=O 12098581 XAYMMWNXGJIZIK-SQJMNOBHSA-N 442.556 2.528 0 50 IFAA COc1ccc(Cl)cc1NC(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2)c1=O 12371148 QVRVQBSGVGUUKF-UHFFFAOYSA-N 436.855 2.848 0 50 IFAA O=C(NCc1ccccn1)c1nn(CC2CC2)c2c1CN(C(=O)c1ccc(F)cc1)CC2 14535266 CYPUUDHOVJSWCT-UHFFFAOYSA-N 433.487 2.956 0 50 IFAA Cc1cccn2c(CN3CCN(C4CCCCC4)CC3)c(C(=O)N3CCOCC3)nc12 19226536 GEKQOQZFIHWZIX-UHFFFAOYSA-N 425.577 2.565 0 50 IFAA O=C(NS(=O)(=O)c1cnc(Cl)c(Br)c1)c1ccc(-c2ncon2)cc1 241157245 JWBTYMPOKBFEBF-UHFFFAOYSA-N 443.666 2.666 0 50 IFAA C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(-n3ccnc3)c(F)c1)C2=O 303059805 XCOISHTYDVRACY-IQMFZBJNSA-N 441.507 2.764 0 50 IFAA Cc1cccc(NC(=O)CSCC(=O)Nc2cccc(N3C(=O)CNC3=O)c2C)c1 482216659 YVBJZTDUECBKPK-UHFFFAOYSA-N 426.498 2.670 0 50 IFAA CCS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cccc(C(N)=O)c2)c1Cl 731985387 BURWTCKVVLPHGX-UHFFFAOYSA-N 429.325 2.858 0 50 IFAA COCCc1nsc(N2CC[C@@](c3nc(-c4cccnc4)no3)(C(F)(F)F)C2)n1 952892539 HXYSUOODAUCOBJ-MRXNPFEDSA-N 426.424 2.882 0 50 IFAA CC(=O)Nc1ncc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2cccc(C)c2)s1 1875258738 JJWGCFVGRGMKCB-UHFFFAOYSA-N 436.559 2.618 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1CCc2cncn2C1 1875288114 NQUVKCDYXSMNRX-HZPDHXFCSA-N 428.500 2.554 0 50 IFAA Cc1nc(O)cc(C(=O)N2CC[C@@H]([C@@H]3CCCN3C(=O)c3ccc(Cl)c(O)c3)C2)n1 1875361205 QCZPXPZREWSSSJ-PBHICJAKSA-N 430.892 2.617 0 50 IFAA CCn1c(O)nc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C(C)(C)C3)ccc2c1=O 2325864770 ZKMPGXLDZUYLIX-AWEZNQCLSA-N 430.505 2.640 0 50 IFAA CC1(C)CN(C(=O)Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)Cc2ccccc21 2325897865 KXVYVHMRFCQCBL-HXUWFJFHSA-N 446.507 2.773 0 50 IFAA COc1cccc(NC(=O)Cc2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)c1 2859482 GMLLAKCLVRQOJN-OAHLLOKOSA-N 439.541 2.974 0 50 IFAA COc1cc(CNCCc2cccc(Cl)c2)ccc1OC[C@@H](O)CN1CCC(O)CC1 11714198 UHZVVWGFWAAFFV-QFIPXVFZSA-N 448.991 2.877 0 50 IFAA CC(C)Cn1c(CN(CCO)Cc2cccs2)cnc1S(=O)(=O)C[C@H]1CCCO1 11753961 RJGUOBBXBXOKTR-GOSISDBHSA-N 441.619 2.548 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccccc1OC 13810187 DUBSORMYUKZIFB-YWFITGJYSA-N 438.505 2.708 0 50 IFAA COCCn1c(CN2CCN(c3ccccc3)CC2)cnc1S(=O)(=O)CCC(C)C 19939835 JMRKLIDSJLIPIU-UHFFFAOYSA-N 434.606 2.672 0 50 IFAA O=C(CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)Nc1nn[nH]n1 217743440 PKBULHBQXVXSEE-LJQANCHMSA-N 431.456 2.514 0 50 IFAA biogenic C[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c2ncnn21 1470089678 XZXMVUYENODLSL-MEDUHNTESA-N 447.904 2.874 0 50 IFAA O=C(NCc1nc(=O)o[nH]1)N1CCC[C@]2(CCN(Cc3ccc(Cl)c(Cl)c3)C2)C1 1857531388 PIGSCPWIQJFCIU-LJQANCHMSA-N 440.331 2.867 0 50 IFAA CC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](C(=O)O)S1(=O)=O 1857782575 WFVTYHHXAJOMBD-LJQANCHMSA-N 429.494 2.898 0 50 IFAA O=C(NC[C@@H]1CC2(CCC2)CN1C(=O)c1cc(O)c2ccsc2c1)c1cnnc(O)c1 1875359291 ABRGDFLELQYDED-HNNXBMFYSA-N 438.509 2.917 0 50 IFAA CCOC(=O)Nc1ccc(C(=O)NCC(=O)N[C@H](C(=O)OC)c2ccc(CC)cc2)cc1 1875383244 MFCOEICGDGGYOK-FQEVSTJZSA-N 441.484 2.578 0 50 IFAA CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)ccc1O 716310 PQWQITBQKOXZAS-HXUWFJFHSA-N 426.425 2.891 0 50 IFAA COc1ccc([C@@H]2C3=C(OC(C)=O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 852625 XEAXZULFNGQILB-GOSISDBHSA-N 443.459 2.647 0 50 IFAA biogenic O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1I 2886425 IBVAVZYRWVTFRU-UHFFFAOYSA-N 437.266 2.998 0 50 IFAA CCC(=O)N[C@H](c1nnc2n1CCN(C(=O)/C=C/c1ccc(F)cc1F)CC2)C(C)C 12122444 WGZKLMVJNMBSNQ-PVHVJQTOSA-N 431.487 2.878 0 50 IFAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc3c(nc2OC)CCC3)CC1 12718952 LARCDFOEYBRIFW-HXUWFJFHSA-N 431.577 2.559 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccccc1OC 13799096 NFRXXSPDCITWPY-XYSGSMRZSA-N 440.546 2.868 0 50 IFAA O=C([C@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1)N1CCCCC1 14989579 ZRKRQHOCURHKHL-ROUUACIJSA-N 425.529 2.691 0 50 IFAA COc1ccc(OC)c(NC(=S)N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)c1 19799193 JBUULKPMQNJYGW-LLVKDONJSA-N 429.757 2.958 0 50 IFAA COC(=O)[C@@H]1CCCN1Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 55119673 HDTPYRARXRYQHF-KRWDZBQOSA-N 426.542 2.848 0 50 IFAA CCOc1cc(CNc2nnc(-c3cnn(C)c3)o2)ccc1OCC(=O)N1CCCCC1 170607129 HPNOMSDMTBTUHR-UHFFFAOYSA-N 440.504 2.872 0 50 IFAA COc1ccc(CCc2nc(NC(=O)c3cn(C)c(=O)c4ccccc34)n[nH]2)cc1OC 170625098 RUDVJLOYBPCTSC-UHFFFAOYSA-N 433.468 2.711 0 50 IFAA COC(=O)C[C@@H](c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O)c1coc2ccccc2c1=O 888089273 RSADIZVJHWAUMD-QGZVFWFLSA-N 449.463 2.630 0 50 IFAA O=C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c2cnccc2N1 1775962092 RZFIMRUQWQTVLX-UHFFFAOYSA-N 428.514 2.635 0 50 IFAA O=C1CC[C@@H](N2Cc3c(cccc3-c3ccc(C(=O)O)cc3C(F)(F)F)C2=O)C(=O)N1 1875356538 PQBXPFRXGCUUIL-MRXNPFEDSA-N 432.354 2.832 0 50 IFAA COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O 5767600 VDGOFNMYZYBUDT-YDRCMHEVSA-N 432.469 2.871 0 50 IFAA biogenic,in-vitro COCc1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)s1 9199100 QWFZROZEUYVMCE-GFCCVEGCSA-N 433.921 2.849 0 50 IFAA O=C(NCc1nnc2n1CCN(C(=O)c1cc(Cl)ccc1F)CC2)c1ccccc1 11788866 BFMOQDVANSUQEB-UHFFFAOYSA-N 427.867 2.699 0 50 IFAA COc1cccc(CN2CCC[C@]3(CCN(C(=O)CCc4nnc(C)[nH]4)C3)C2)c1OC 12303535 RFBHNBPFMGMYGX-QHCPKHFHSA-N 427.549 2.578 0 50 IFAA COc1ccc(C(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)c(OC)c1 14987767 CNOLMDGISWOWFP-MRXNPFEDSA-N 429.521 2.519 0 50 IFAA O=C1NCCN(Cc2cccc(F)c2F)[C@H]1CC(=O)N1CCc2c(Cl)cccc2C1 15068395 DUAKKUKDTRDQAA-IBGZPJMESA-N 433.886 2.894 0 50 IFAA O=C(O)CSc1nc(SCC(=O)O)c(-c2ccccc2)c(SCC(=O)O)n1 19911893 DTPOCAGCYGTSTB-UHFFFAOYSA-N 426.497 2.674 0 50 IFAA COc1cccc(CN2CCN(Cc3cn(C)nc3-c3ccc4c(c3)OCCO4)CC2=O)c1 55090790 LUVCLMXMOCGTMV-UHFFFAOYSA-N 448.523 2.711 0 50 IFAA CCOc1ccccc1CN1CCN(Cc2cc(OC)c(O)c(OC)c2)C[C@H]1CCO 104372614 CQOBYLAAIXDKEV-HXUWFJFHSA-N 430.545 2.877 0 50 IFAA COCCS(=O)(=O)N(Cc1ccccn1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 170611311 IJQFAQYMZPFLDU-SFHVURJKSA-N 427.567 2.649 0 50 IFAA CC(C)C[C@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 248252083 JIOWSVRWVNPHDT-VAMGGRTRSA-N 449.555 2.801 0 50 IFAA Cn1cnnc1COCC(=O)N1Cc2cnn(-c3ccccc3Cl)c2CC(C)(C)C1 1775960369 HQKLOYWHSLIRRV-UHFFFAOYSA-N 428.924 2.782 0 50 IFAA CCOC(=O)[C@@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 627192 NMQCIULWPUBWEM-CYBMUJFWSA-N 436.921 2.559 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccccc1Cl 784458 BZMAJDAJEFDLLR-UHFFFAOYSA-N 435.933 2.981 0 50 IFAA COc1ccc(OC)c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 824393 SLKYOQJHOHEYJJ-UHFFFAOYSA-N 428.894 2.771 0 50 IFAA CO[C@H](C(=O)Nc1ccnn1C1CCN(C(=O)C(=O)CC(C)C)CC1)c1ccccc1 11661511 GPCSTXZHLZICGP-NRFANRHFSA-N 426.517 2.988 0 50 IFAA O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(Cc3ccc4ncccc4c3)C[C@H]12 14542625 PHIGSOFWQUJEAI-FCHUYYIVSA-N 434.927 2.642 0 50 IFAA COc1ccc(C(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)c(OC)c1 14987771 CNOLMDGISWOWFP-INIZCTEOSA-N 429.521 2.519 0 50 IFAA C[C@H](NC(=O)c1ccc(N2CCC(N3CCN(CCO)CC3)CC2)cc1)c1ccccc1 20599623 WSYXJRSOBBRYGS-NRFANRHFSA-N 436.600 2.756 0 50 IFAA N=C1NC(=O)/C(=C\c2cc(Br)c(O)c(I)c2)S1 23128332 MXYZCKACXDLVTC-XVNBXDOJSA-N 425.045 2.898 0 50 IFAA Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cc1C 38530904 LQCONNYXGKMOES-UHFFFAOYSA-N 429.590 2.903 0 50 IFAA Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)nc(N2CCOCC2)n1 67614019 NLYVWTODKXPFAO-UHFFFAOYSA-N 430.940 2.938 0 50 IFAA O=C(COc1ccc2occ(C(=O)c3ccc(Cl)cc3)c2c1)N[C@@H]1CCS(=O)(=O)C1 170622186 BSEWTXJBBBCJIB-OAHLLOKOSA-N 447.896 2.999 0 50 IFAA COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c(Cl)cccc54)[C@H]3C2=O)cc1 245246763 NBEZVFUWBMAGIP-PMECCGAFSA-N 437.883 2.780 0 50 IFAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 409414600 NEUDBCYODBUKHN-TUNNFDKTSA-N 431.577 2.758 0 50 IFAA biogenic CC[C@H]1Oc2cc([C@H](C)NS(=O)(=O)CCc3ccc4c(c3)CCO4)ccc2NC1=O 477597640 FBJDJVIQAZAGMP-IFXJQAMLSA-N 430.526 2.954 0 50 IFAA Cc1ncc(C(=O)N[C@H]2C3CN4CCN(C3)CC2(c2ccccc2)C4)c(-c2ccccc2)n1 670455614 SHTPSZHKLBANIM-PIFVYSLYSA-N 439.563 2.749 0 50 IFAA CCOC(=O)[C@@]12CC[C@H](N3CCOCC3)C[C@H]1CCN(c1ncc3c(n1)CCCC3)C2 1857685051 BBKUDQWJDYYFAU-JXALWOEJSA-N 428.577 2.616 0 50 IFAA Cc1cc(C(F)(F)F)c2c(=O)n(CC(=O)N[C@H](C)c3ccc4c(c3)OCO4)n(C)c2n1 1875258716 OSTGBYMGLNFCNP-LLVKDONJSA-N 436.390 2.668 0 50 IFAA Brc1cccc(-c2cnc(CN[C@@H]3CCN(c4ccc5nncn5n4)C3)[nH]2)c1 1875358664 DQYFQAAVYOXZTF-OAHLLOKOSA-N 439.321 2.645 0 50 IFAA O=C(O)[C@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccc(Br)c(Cl)c1 2325876466 WJSUMCLBXJHWQS-ZWNOBZJWSA-N 426.716 2.717 0 50 IFAA COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1 953245 JRLXOMNQGDEEBN-SFHVURJKSA-N 445.541 2.924 0 50 IFAA CCOC(=O)c1ccc(-n2cc3c(c2-c2ccc(OC)cc2)c(=O)n(C)c(=O)n3C)cc1 1075508 KAWLZLOWIPXTNK-UHFFFAOYSA-N 433.464 2.880 0 50 IFAA COc1ccc(F)c(CN2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)c1 11976815 UFQAZDRZKASSBP-LJQANCHMSA-N 430.524 2.820 0 50 IFAA Cc1noc(C)c1CC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12054129 LAXUMXRDHMQRSR-HXUWFJFHSA-N 439.560 2.597 0 50 IFAA COc1cccc(CN[C@@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c1OC 14740794 PDXDYMJDGDVPRA-QGZVFWFLSA-N 438.528 2.950 0 50 IFAA Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 16474464 STRSDUPNPOKEMT-UHFFFAOYSA-N 445.585 2.657 0 50 IFAA O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(I)cc1 100394904 OWNWGISRDQJPBF-KUDNYVPYSA-N 438.265 2.651 0 50 IFAA COC(=O)c1cc(CNC(=O)c2cccnc2)cc(NS(=O)(=O)c2ccc(F)cc2)c1 299802392 LOEPVRXIFQKFJT-UHFFFAOYSA-N 443.456 2.738 0 50 IFAA COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)cc1OC 844470 ZJDBVOMWHHMFEY-HXUWFJFHSA-N 426.425 2.804 0 50 IFAA CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(c23)N2C(=O)CC[C@@]2(C)NC4=O)CO1 2296319 MXXNDAAWNPKBFF-QFIPXVFZSA-N 442.541 2.571 0 50 IFAA COc1cccc(CN2C[C@@H](C(=O)NCc3ccccc3Cn3cccn3)CCC2=O)c1 12702236 MAUQSFQNXPCTDT-QFIPXVFZSA-N 432.524 2.995 0 50 IFAA COc1ccccc1[C@@]1(CC(=O)N2CCCC[C@@H]2c2nccs2)CC(=O)N(C)C1=O 14879887 KFQPVVQQRPANKX-ZHRRBRCNSA-N 427.526 2.922 0 50 IFAA CCOc1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCc2ccccc2Cl)cc1 14988341 JXXBJKZKKJNERR-NQIIRXRSSA-N 440.935 2.857 0 50 IFAA O=C(NC1CC1)c1cn(Cc2ccccc2)cc(C(=O)NC2Cc3ccccc3C2)c1=O 14999487 PYMDQBZKSSQPDH-UHFFFAOYSA-N 427.504 2.686 0 50 IFAA Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N[C@@H]2Cc3cccc(O)c3C2)c(C)c1C 170613624 YEXWTKRTWFCJOU-LJQANCHMSA-N 430.570 2.886 0 50 IFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 223225282 RQLZGPRGKSTWSN-DNVCBOLYSA-N 429.546 2.863 0 50 IFAA CCC1(C(=O)OCC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)CCC(O)CC1 253428696 KQIPOTKNLVZJRQ-BQJIDLTASA-N 425.547 2.522 0 50 IFAA COc1ccc(-c2cc(NC(=O)c3ccc(OC)c(S(=O)(=O)N(C)C)c3)ncn2)cc1 1875356955 TYFXAVVMBNZUTC-UHFFFAOYSA-N 442.497 2.663 0 50 IFAA Cc1ccnc2c(S(=O)(=O)NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cccc12 2325819887 SZUMDLBTAFOBJK-FUHWJXTLSA-N 437.521 2.958 0 50 IFAA CC1=NO[C@@H](C(=O)N=S2(=O)C[C@H]3C[C@@H](CN(C(=O)c4ccc(C(F)F)cc4)C3)C2)C1 2332238291 KGABTUWVOYWBEX-GRDNDAEWSA-N 439.484 2.876 0 50 IFAA COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1 846192 WPDOCWCLSKMEDG-NRFANRHFSA-N 439.512 2.561 0 50 IFAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)c(OC)c1 949360 RWYFLYHFFCLQME-UHFFFAOYSA-N 444.469 2.556 0 50 IFAA CCC[C@]1(C2CCN(C(=O)Cc3c(C)noc3C)CC2)NC(=O)N(Cc2ccco2)C1=O 11788784 PRYKLAFIPUVQPG-HSZRJFAPSA-N 442.516 2.956 0 50 IFAA COCCCC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)c(C)c2C)CC1 12049966 XXXKJQXEWPXNGP-QFIPXVFZSA-N 445.604 2.668 0 50 IFAA CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 15919207 WPMFCNNFILWEAD-AWEZNQCLSA-N 434.389 2.558 0 50 IFAA CSCC[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 247547923 VATMIQDCCLIWDR-GUDVDZBRSA-N 443.569 2.814 0 50 IFAA C[C@H](NC(=O)CC[C@H]1N=C(O)N(Cc2cccc(Cl)c2)C1=O)c1nnc2ccccn12 252483482 FCGOSRMZNCRWLG-XJKSGUPXSA-N 440.891 2.665 0 50 IFAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3ccc4nsnc4c3)CC2)c1 670435777 LERIASKDZLKOND-UHFFFAOYSA-N 440.525 2.877 0 50 IFAA COC(C)(C)C(=O)N[C@@]1(C)CC2(CCN(Cc3cccc(SC)c3)CC2)OC[C@@H]1O 1772710185 PEEPIEMPJAFUCD-UGKGYDQZSA-N 436.618 2.824 0 50 IFAA N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3nn(-c4cc(F)cc(F)c4)c4c3CCC4)C2)C1 1775989004 YNOOYVZJONGYSN-OXTHUFEASA-N 430.499 2.998 0 50 IFAA CC(=O)Nc1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 1127160 VCPNHYFJMFXHFW-UHFFFAOYSA-N 440.319 2.812 0 50 IFAA CNc1nc(OCC(F)(F)F)nc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1 4573282 LBPFBHWNKHUCPU-UHFFFAOYSA-N 426.487 2.945 0 50 IFAA O=C(NCCO)[C@@H]1CCCN(c2cccc3c2C(=O)N(C2CCCCCCC2)C3=O)C1 11840619 MDPOQFKLRCXRQH-QGZVFWFLSA-N 427.545 2.720 0 50 IFAA CCN1C[C@@H](CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)CC1=O 12448651 QJOFVWNBQKAJSK-LJQANCHMSA-N 436.556 2.723 0 50 IFAA NS(=O)(=O)c1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1 15936545 MGLJBPQZUWVOLL-UHFFFAOYSA-N 446.554 2.800 0 50 IFAA O=C1c2c(-c3nc(-c4ccsc4)no3)nnn2CCN1CCOc1ccc(F)cc1 169764963 PVCUOTTXVUYZRI-UHFFFAOYSA-N 426.433 2.731 0 50 IFAA O=C(CCc1ccc2c(c1)OCCO2)N1CCN(c2nnc(C(F)(F)F)s2)CC1 170600845 RRURWSULTGUCBJ-UHFFFAOYSA-N 428.436 2.610 0 50 IFAA COC(=O)c1cn(-c2cccc(NC(=O)N(Cc3ccco3)C[C@@H]3CCCO3)c2)nn1 225850647 YGADZFWPMLWDGX-SFHVURJKSA-N 425.445 2.860 0 50 IFAA CC(C)(C)OC(=O)N1CC(O)(CNC(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)C1 225852654 OCMZPDDWNMKSQL-UHFFFAOYSA-N 447.561 2.967 0 50 IFAA CC(C)c1c(N2CCC[C@@H](C3OCCO3)C2)ncnc1N1CCC[C@@H](C2OCCO2)C1 240465977 GBVQHZUJGOAMRU-QZTJIDSGSA-N 432.565 2.779 0 50 IFAA COCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CN2CCOCC2)C1 252480153 BWWUGNYDYVLQSE-IBGZPJMESA-N 438.576 2.545 0 50 IFAA CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(N)=O)CC1 263616643 JWYJICFPOAQIHU-UHFFFAOYSA-N 436.555 2.786 0 50 IFAA CC(C)Cn1cnc2ccc(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)cc2c1=O 334162840 ZVWNORROGGUXBB-HBFSDRIKSA-N 443.573 2.717 0 50 IFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 409414899 YIDXDQPJEVULJJ-KMDXXIMOSA-N 441.616 2.817 0 50 IFAA biogenic Cc1c(N2CCN(C3CCN(C(C)C)CC3)CC2)nn2c(C(F)(F)F)nnc2c1C 434947929 UDZSDCDPQJDNEY-UHFFFAOYSA-N 425.503 2.755 0 50 IFAA COc1cccc([C@@H]2[C@H](C(=O)NCCN3CCc4ccccc4C3=O)CC(=O)N2C2CC2)c1 466642417 TXMYVMZFYLKUCL-ISKFKSNPSA-N 447.535 2.562 0 50 IFAA O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc2c(c1)OCCCO2 916784224 WFHFKEIHAKJFMK-UHFFFAOYSA-N 426.288 2.658 0 50 IFAA COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCCC1 1321366776 JNBMOPNGGMBAKH-HXUWFJFHSA-N 429.542 2.695 0 50 IFAA C=CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1 1463997328 OEJMKYBKQPOZOU-UHFFFAOYSA-N 439.946 2.673 0 50 IFAA CC[C@H](Cc1cn(C[C@@H](C)NC(=O)Cc2ccc(F)cc2Br)nn1)C(=O)O 1875355191 CNTJURUGQUBCQH-VXGBXAGGSA-N 441.301 2.580 0 50 IFAA COc1ccc([C@@H](CC(=O)NCCc2ccccn2)c2c(O)nc3ccccn3c2=O)cc1 2049512048 UXZRBHRYFTZTBU-HXUWFJFHSA-N 444.491 2.685 0 50 IFAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CCCN(CC(C)C)CCCNC2=O 2100533738 XWJWWGPWJRONRP-IBGZPJMESA-N 431.625 2.774 0 50 IFAA CCc1nccn1CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 12445114 DGWRUXIZIAMRQD-FQEVSTJZSA-N 425.577 2.657 0 50 IFAA C[C@H](NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)c1ccc(F)cc1 12570882 MQHMNZKWCZEUAU-INIZCTEOSA-N 449.548 2.966 0 50 IFAA COc1cccc(CN2CCN(C(=O)CC[C@@]3(Cc4ccccc4)CCC(=O)N3)CC2=O)c1 14886166 CCSHVBLCWGUOGG-AREMUKBSSA-N 449.551 2.538 0 50 IFAA O=C(c1nn(CCc2ccccc2)c2c1CN(Cc1ccco1)CC2)N1CCC(O)CC1 19781637 NBHOFHYEUDWKCU-UHFFFAOYSA-N 434.540 2.874 0 50 IFAA CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](N(C)CCc2ccc(OC)c(OC)c2)C1 22914030 AOPOQTVHDUCSAM-LJQANCHMSA-N 430.549 2.743 0 50 IFAA CC(=O)N1CCC(c2nc(-c3nnn4c3CO[C@@H](c3ccc(Cl)cc3)C4)no2)CC1 169769262 SDUGQKHNWRNDMA-QGZVFWFLSA-N 428.880 2.979 0 50 IFAA CN(C[C@H]1CCCCN1C)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O 299761086 RALZBRCSGHYPSD-ATIYNZHBSA-N 448.567 2.611 0 50 IFAA CC(C)CNC(=O)c1cccc(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)c1 952969283 ILULSIUBAZEJKF-OAQYLSRUSA-N 440.519 2.541 0 50 IFAA Cc1c(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cccc1S(=O)(=O)N(C)C 2325820055 YRDGFXHWFMQOAY-AEFFLSMTSA-N 429.542 2.794 0 50 IFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Cl)C1 2808025 IANDWBCAVSBTLL-CYBMUJFWSA-N 431.345 2.848 0 50 IFAA CCCN(CC1CC1)C(=O)C[C@]1(c2ccccc2OC)CC(=O)N(CCCOC)C1=O 11814359 CHEUQHFNWPUPBZ-XMMPIXPASA-N 430.545 2.767 0 50 IFAA O=C(Cn1nc(Cl)ccc1=O)N(CC1CCN(C2CCCC2)CC1)C[C@H]1CCCO1 12021783 LYJJJLJRZYNJBP-LJQANCHMSA-N 436.984 2.559 0 50 IFAA CCOc1cc(CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)ccc1OC 14994370 ZHTVQEOWGNMTEY-IBGZPJMESA-N 429.565 2.967 0 50 IFAA CSc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)cc1 14998716 WALXNCFWODQORO-WIYYLYMNSA-N 443.617 2.908 0 50 IFAA Cc1ccccc1CN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1 19807817 DQGANVWRBCYGRD-UHFFFAOYSA-N 435.977 2.613 0 50 IFAA COC(=O)c1c(OCc2cccnc2)cc(=O)n2c1CCN(Cc1ccccc1OC)CC2 20210493 QTARPHABZSJXTL-UHFFFAOYSA-N 449.507 2.676 0 50 IFAA CC(C)N1C[C@@H](NCc2cc(F)ccc2F)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 32529617 KPHRRHXSHCZLTE-FPOVZHCZSA-N 445.510 2.993 0 50 IFAA C[C@@H](O)CN1CCN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc23)CC1 170602434 CQECTQIYTNHNNJ-QGZVFWFLSA-N 433.508 2.812 0 50 IFAA CCNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 170609265 GMMJZFIIWBNHFJ-UHFFFAOYSA-N 436.559 2.959 0 50 IFAA O=C1O[C@@H](C(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)Cc2ccccc21 170626745 YHRRBSVHAGAKDG-IAGOWNOFSA-N 434.370 2.588 0 50 IFAA CCc1cc(N2CCC[C@H](Nc3ccc(S(=O)(=O)N4CCCCC4)cn3)C2)ncn1 301240753 OCLPZWUJVDNHMS-SFHVURJKSA-N 430.578 2.690 0 50 IFAA Cc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC(c4ncc[nH]4)CC3)cc2)o1 408521400 SGROKDKFHXHCKO-UHFFFAOYSA-N 429.502 2.835 0 50 IFAA Cc1ccc2nc([C@H]3CCCN3C(=O)NCc3cccc([C@]4(C)NC(=O)NC4=O)c3)[nH]c2c1 1330905135 XYHORHJOFCMZJE-DVECYGJZSA-N 446.511 2.973 0 50 IFAA O=C(c1cccc(Cl)c1)N1CCC2(CCc3c(O)nc(N4CCOCC4)nc32)CC1 1857739750 QQQARWNQDGYWMW-UHFFFAOYSA-N 428.920 2.792 0 50 IFAA CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(I)c2)c1 2868450 PZCGHQSDISYZSU-UHFFFAOYSA-N 430.267 2.794 0 50 IFAA COCCCn1c(CN(Cc2nccn2C)C(C)C)cnc1S(=O)(=O)C1CCCC1 12316756 XKTXAECZKZDQEQ-UHFFFAOYSA-N 437.610 2.780 0 50 IFAA COc1ccc(CCN[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)cc1 14752448 MZNZQJXQJGNCNS-FQEVSTJZSA-N 440.588 2.710 0 50 IFAA CC(=O)NCCNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccc3ccccc3c2)C1 14754963 SSVBAFTZTZYNHC-RCZVLFRGSA-N 436.600 2.626 0 50 IFAA NC(=O)C1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1 15002751 INMMQFYBJKGBPK-UHFFFAOYSA-N 442.523 2.643 0 50 IFAA CCN(C[C@@H]1CCCO1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 15065086 UKAMZWZBCFSQKV-KRWDZBQOSA-N 444.981 2.784 0 50 IFAA COc1cccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)c1 245228685 CHLXXYQDTALRRI-RBUKOAKNSA-N 439.961 2.778 0 50 IFAA C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CN1CCC(NC(=O)c3ccc(F)cc3)CC1)C2=O 252457197 MGBTXWOJJFFUEO-MICWEPACSA-N 430.524 2.724 0 50 IFAA C[C@H]1CN(c2ccc(NC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)cc2F)C[C@@H](C)O1 252458402 FLFBYGKGRXYZJP-FVJLSDCUSA-N 449.571 2.504 0 50 IFAA CC[C@H](C)C(=O)N1CCC([C@@]2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1 12035945 VUVOYCWYNHDHQQ-NPMXOYFQSA-N 431.533 2.799 0 50 IFAA COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)c1ccc(N2CCOCC2)cc1 12245211 ZCPWBNWRXRSPHB-ICSRJNTNSA-N 441.915 2.815 0 50 IFAA CN1CCC[C@H](CNC(=O)c2cn(C3CC3)cc(C(=O)NCC3CCCCC3)c2=O)C1 12282451 FOUDMGDPYKSYQY-GOSISDBHSA-N 428.577 2.565 0 50 IFAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)cc1OC 12372928 RQOJEDBNLZXBSD-SFHVURJKSA-N 449.507 2.844 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCn2c(C)cc3ccccc32)cc1C 12431446 AQLMCOKYTJLODW-QHCPKHFHSA-N 448.567 2.774 0 50 IFAA COc1ccccc1CCC(=O)N1CCCC[C@H]1CCn1cc(C(=O)NC2CC2)nn1 19790249 CLRYDPQLAIMGEW-IBGZPJMESA-N 425.533 2.583 0 50 IFAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(I)cc1 100723139 XFBNZVZYSNHUFG-UHFFFAOYSA-N 427.238 2.872 0 50 IFAA CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)CC(=O)N(CC)CC 170599248 PHWBLBJZODQXFR-UHFFFAOYSA-N 438.377 2.842 0 50 IFAA O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 222107669 BCZWGPYRCXINJL-MOPGFXCFSA-N 435.446 2.981 0 50 IFAA CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)Nc3ccccn3)CC2)cc1 245257246 XSJZJMHURQWDOV-QAQDUYKDSA-N 430.530 2.763 0 50 IFAA C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)cc1 252585129 GJQWOFWQNXMFMM-QWFCFKBJSA-N 427.545 2.692 0 50 IFAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)NC1CC(C)(C)NC(C)(C)C1)C=C2 253404221 HSQPPRMSEZJZKF-UHFFFAOYSA-N 429.561 2.875 0 50 IFAA biogenic O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 433575726 OJMMKUITVLHGEC-QGUBCYKSSA-N 430.504 2.804 0 50 IFAA Cc1ccccc1-c1ncc(CN2CC3(CCN(S(C)(=O)=O)CC3)OCCC2=O)s1 1704330466 CWBIQYOBPWBIIQ-UHFFFAOYSA-N 449.598 2.662 0 50 IFAA Cc1c(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)nc2)sc2cccc(Cl)c12 1875264724 LYFXRBGSSJLBQV-UHFFFAOYSA-N 436.946 2.995 0 50 IFAA COc1cccc(CNC(=O)Cc2ccc(-n3cc(C[C@@H](C(=O)O)C4CC4)nn3)cc2)c1 1875353675 BUAGNHGNXPVONM-JOCHJYFZSA-N 434.496 2.788 0 50 IFAA O=C(Nc1cc(C2CCNCC2)[nH]n1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 2325839860 HIABWJNRAVLGBR-UHFFFAOYSA-N 429.480 2.925 0 50 IFAA Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3C2=O)cc1 1926068 WBDSHORYMQHUKK-UHFFFAOYSA-N 443.459 2.987 0 50 IFAA COc1ccc(CN(C)Cc2nonc2C)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12439840 WWHBQZQJNUGFEG-NRFANRHFSA-N 440.544 2.890 0 50 IFAA COC(=O)c1sc2nc(CN3CCCN(C=O)CC3)ccc2c1NC(=O)c1ccoc1 12455011 WINNTCYKVIJUHN-UHFFFAOYSA-N 442.497 2.592 0 50 IFAA O=CN1CCCN(C(=O)[C@H]2CCCN(c3nc(-c4ccccc4)nc4c3CCC4)C2)CC1 12612897 NHNZLTXOAHKCCM-FQEVSTJZSA-N 433.556 2.539 0 50 IFAA COc1ccc(C[C@@]2(CCC(=O)NC[C@H]3COc4ccccc4O3)CCC(=O)N2)c(F)c1 14886544 OUYGBIIGIROXTI-MHECFPHRSA-N 442.487 2.762 0 50 IFAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NCC(C)(C)CN(C)C)c1=O 14968603 RVYFWNWRHYIKTC-UHFFFAOYSA-N 432.609 2.884 0 50 IFAA CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)CC2)cc1 17099009 BITXEBFLCLSHDA-UXHICEINSA-N 434.558 2.529 0 50 IFAA CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(C/C(Cl)=C/c1ccccc1)CC2 19741397 CSKHJVDNWQPQBI-BLMOFCDVSA-N 437.997 2.662 0 50 IFAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3cccn3)nc(C)n2)CC1 65361968 SYFLUOMRJWQEIL-UHFFFAOYSA-N 427.896 2.987 0 50 IFAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccccc4Cl)c2=O)CCCCC3)no1 169763951 WSXYHXZAHKWPPE-UHFFFAOYSA-N 443.891 2.641 0 50 IFAA O=C(COc1ccc(F)cc1)N1CC[C@@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169778028 RTESRQUJAQACGT-QGZVFWFLSA-N 434.431 2.987 0 50 IFAA CCOc1cc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@H]2C(=O)OC(C)C)ccc1O 239433061 XECKZJRXQSHIAF-GLHSZLCASA-N 436.501 2.734 0 50 IFAA CCN1CCN(c2nc(O)c3c(n2)NC(=O)C[C@@H]3c2ccccc2OC(F)(F)F)CC1 823117635 YTONZOFCEMFDBO-CYBMUJFWSA-N 437.422 2.697 0 50 IFAA CSCC[C@H](C(=O)Nc1cccc(-c2nc[nH]n2)c1)n1c(O)nc2ccccc2c1=O 888089656 VJWKGJVBHADIRJ-QGZVFWFLSA-N 436.497 2.820 0 50 IFAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2)CC1 2325882151 ASZXWUJNMOPKGB-KRWDZBQOSA-N 434.334 2.803 0 50 IFAA COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)N[C@H](CCSC)C(=O)O 2956505 FCLVNKXOEPWSHL-SOGDLCAJSA-N 428.510 2.789 0 50 IFAA CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1=O 8844349 AEDMQEZOVGYYPV-GOSISDBHSA-N 437.521 2.514 0 50 IFAA CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)Cc1ccccc1OC 12314388 DHRJOWZAHBWWSJ-HSZRJFAPSA-N 431.621 2.909 0 50 IFAA CCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 12864592 JEOUKXPLYYAMHV-UHFFFAOYSA-N 433.505 2.615 0 50 IFAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 55576157 LUGDTTIDEOXICU-LJQANCHMSA-N 449.477 2.655 0 50 IFAA COCCOC(=O)c1c(C)[nH]c(C(=O)N(CCN(C)C)Cc2cccc(OC)c2)c1C 170611647 BAPVUGITALKXCW-UHFFFAOYSA-N 431.533 2.647 0 50 IFAA Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(c6ccccc6)C(=O)[C@H]54)[C@H]32)cc1 247998225 CIJNUGYMNLRZJV-NPQLIOMISA-N 434.517 2.606 0 50 IFAA COc1ccc2c(c1)O[C@H](C)CN(CCC(=O)N1CCN(Cc3ncccc3C)CC1)C2 299775121 HFMQPVZKJGPPHP-HXUWFJFHSA-N 438.572 2.716 0 50 IFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)c1cc(Cl)c2c(c1)OCCO2 742734329 BKUQCLUTFFMOSZ-ZDUSSCGKSA-N 425.894 2.536 0 50 IFAA COC(=O)c1ccc(C(=O)N2CC[C@@](c3nc(-c4ccncc4)no3)(C(F)(F)F)C2)[nH]1 952894143 PZIDQYGEIJQYPM-GOSISDBHSA-N 435.362 2.593 0 50 IFAA C[C@H](NC(=O)c1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O)C(C)(C)c1ccccc1 2325886621 CTQKFHYBURZLRL-MGPUTAFESA-N 433.508 2.544 0 50 IFAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OCC(=O)OC)c(OC)c1 1115050 BGRLOYJUOVTILO-UHFFFAOYSA-N 447.484 2.608 0 50 IFAA COc1ccc(CCN2C(=S)N(C)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)cc1 1185278 KLZNFDDXLDAXKF-LJQANCHMSA-N 427.526 2.703 0 50 IFAA COc1ccccc1N1CCN(C(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c32)CC1 8599833 UCYFYRTYWANEJX-UHFFFAOYSA-N 432.480 2.809 0 50 IFAA CN1CCCC[C@H]1C(=O)NC[C@@H]1Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2O1 11813510 HESGULPANIIOMJ-FPOVZHCZSA-N 428.554 2.661 0 50 IFAA CN1N=C(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)CCC1=O 12716012 ULZUKUMEVYVOMB-SFHVURJKSA-N 432.524 2.930 0 50 IFAA CCc1cc(C(=O)N2CC(=O)N(CC(C)C)C[C@@H](OCc3cccc(OC)c3)C2)n(C)n1 14532114 FTYNPFPJKWCOPC-OAQYLSRUSA-N 442.560 2.517 0 50 IFAA CC(C)CCNc1cc(C(=O)N2CCCN(C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1 14745053 FHWDZMRDVDWIAM-UHFFFAOYSA-N 438.638 2.999 0 50 IFAA CC(C)Cn1cc(C(=O)NC[C@@H]2OCCc3ccccc32)c(=O)c(C(=O)NC(C)C)c1 14976192 BFZDELNYWSFGIA-NRFANRHFSA-N 425.529 2.686 0 50 IFAA Cc1ccc(OCC(=O)NCCNC(=O)c2nc(-c3ccc(Cl)cc3)no2)cc1C 20394877 SKJWSLPBEMFPBW-UHFFFAOYSA-N 428.876 2.932 0 50 IFAA CCOc1ccc2oc(=O)cc(CN3CCN(CC(=O)N4CCc5ccccc54)CC3)c2c1 22752862 RIOFFQYFQSEETA-UHFFFAOYSA-N 447.535 2.899 0 50 IFAA biogenic,in-vitro COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC 170625581 IHACQMFLMVUFHN-SFHVURJKSA-N 436.468 2.677 0 50 IFAA biogenic CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)C[C@H]2C[C@H](C)NC(=S)N2)CC1 207764758 WOZPNBUSAFYORM-PKOBYXMFSA-N 431.602 2.806 0 50 IFAA COc1cccnc1CC(=O)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 328591290 NFPZREWHLQUOIO-UHFFFAOYSA-N 442.317 2.620 0 50 IFAA O=C1CCc2ccc(O)c(c2)Oc2cccc(c2)[C@@H]2CN(C(=O)C3CCOCC3)C[C@H]2N1 1875240002 CXXXCGXYLVMHHX-LEWJYISDSA-N 436.508 2.968 0 50 IFAA C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1)c1cccc(O)c1 1875265100 ZOOMYSRMWUKSMN-INIZCTEOSA-N 446.573 2.990 0 50 IFAA C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C(=O)Nc1cnn2cccnc12 2325818509 GQOOPEYYTDVOBQ-JSGCOSHPSA-N 428.290 2.835 0 50 IFAA COc1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H](C)n2nc(C)cc2C)C3)nn1 11880460 RMXOFXGSIGHYAN-YOEHRIQHSA-N 425.464 2.786 0 50 IFAA CCN(CC)CCNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC 12038047 UHJFLIKFTYISAB-UHFFFAOYSA-N 428.562 2.917 0 50 IFAA CCN(CC)C(=O)Cn1cc(C(=O)N(Cc2ccccc2)Cc2scnc2C)nn1 12441138 OBVJIYGUDNJWRL-UHFFFAOYSA-N 426.546 2.754 0 50 IFAA COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(Cl)cc1 13494472 JFJFUBBKVDSIQF-UHFFFAOYSA-N 438.933 2.711 0 50 IFAA COCC(=O)Nc1c(C(=O)OC)n(C)c2ncc(NCc3ccc(NC(C)=O)cc3)cc12 14541763 BWVUXWSBFJUYRK-UHFFFAOYSA-N 439.472 2.515 0 50 IFAA Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)nn1C 14970063 YPEHYMCJJMNOBI-QFIPXVFZSA-N 437.588 2.705 0 50 IFAA Cc1oc(-c2cccc(NC(=O)c3ccccn3)c2)nc1CNC(=O)[C@H](C)N1CCOCC1 19884437 HVRSEGJCWBKQAT-INIZCTEOSA-N 449.511 2.634 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cc(F)cc(F)c2)CC3)cc1 19885323 WCOBJKWHDMYYPG-UHFFFAOYSA-N 441.482 2.596 0 50 IFAA O=S(=O)(c1ccc(I)cc1)N1CCN(Cc2ccccc2)CC1 22298888 FQDMDPBFTCYHPH-UHFFFAOYSA-N 442.322 2.798 0 50 IFAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccccc3OCCc3ccccc3)CC2)[C@H]1O 1704297685 CSPFQENKZBSTJN-BJKOFHAPSA-N 425.525 2.815 0 50 IFAA Cn1cnnc1CC1CCN(C(=O)c2cc3c(I)cccc3[nH]2)CC1 2325875543 VRLYZSJLXVAKDS-UHFFFAOYSA-N 449.296 2.996 0 50 IFAA O=C(O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc(C(=O)O)c1 2862587 OQDLKUMRINSFQE-UHFFFAOYSA-N 434.360 2.725 0 50 IFAA O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 9232776 UMWHVBTZIYRUQL-RQXXJAGISA-N 425.847 2.910 0 50 IFAA CCOC(=O)CSc1nnc(CSc2nc(=O)c3c(C)c(C)sc3[nH]2)n1C 9302161 GFNIUHMNYFWXEU-UHFFFAOYSA-N 425.561 2.677 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)N(C)Cc2ccccn2)(c2ccccc2Cl)C1=O 11790909 WDGMIOCCGWLRHE-HSZRJFAPSA-N 443.931 2.817 0 50 IFAA CCn1ncc(CN2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)c1C 12026778 BEXYZZHLTKXICF-UHFFFAOYSA-N 430.549 2.640 0 50 IFAA COc1cccc(CO[C@H]2CN(Cc3cn(C)nc3C)CC(=O)N(Cc3ccccn3)C2)c1 14537274 FPWIDMFBJBDOAK-DEOSSOPVSA-N 449.555 2.562 0 50 IFAA Cc1nn(C)cc1CN1CC(=O)N(CCc2ccccc2)C[C@H](OCc2ccncc2)C1 14741095 OQJPDDORBGZVJC-XMMPIXPASA-N 433.556 2.596 0 50 IFAA COc1cc(CN(C)Cc2csc(C)n2)ccc1OC[C@H](O)CN1CCSCC1 15064493 LKAQMOGESQNACO-LJQANCHMSA-N 437.631 2.881 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1n[nH]c2c1CCC2 19335413 HVUHSQNBANVLDD-DEOSSOPVSA-N 443.551 2.572 0 50 IFAA CCN1CCN(c2ncc(-c3cc(=O)[nH]c(N4c5ccccc5C[C@H]4C)n3)c(C)n2)CC1 36235758 ARQFRNKRDZQOQA-MRXNPFEDSA-N 431.544 2.760 0 50 IFAA O=C([C@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccs2)C3=O)C1)N1CCOCC1 299800787 YLUONGWTBSSFQJ-INIZCTEOSA-N 439.537 2.620 0 50 IFAA CNC(=O)CNC(=O)c1cccc(N[C@@H](C(=O)NCc2ccccc2)c2ccccc2)c1 409851775 WNNSHWKXZCRPMS-HSZRJFAPSA-N 430.508 2.632 0 50 IFAA O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ncoc1-c1ccc2c(c1)OCCO2 460208340 YOEQJXGFSMLOOA-KRWDZBQOSA-N 449.463 2.523 0 50 IFAA CC1(C)C[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2O1 482348373 FMCLLCJHLWDREH-LJQANCHMSA-N 448.516 2.879 0 50 IFAA CN(C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 785436459 RRSOPPMPBLLKTE-GOSISDBHSA-N 445.541 2.558 0 50 IFAA Cc1c(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)cnn1C 1857698978 CRSUIFFUPHXAHG-OAQYLSRUSA-N 446.617 2.989 0 50 IFAA COC(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1CCCN(c3nc4cc(Cl)ccc4o3)C1)CC2 1857724273 SKHDRUPDJDBWFJ-GFCCVEGCSA-N 443.891 2.792 0 50 IFAA O=C(c1n[nH]c2c1COCC2)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 1940195098 LUKWUXGYECXQTN-UHFFFAOYSA-N 431.496 2.765 0 50 IFAA Cc1c(Br)cccc1CS(=O)(=O)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C 2325877571 UYBMSPGUOJVPOP-KRWDZBQOSA-N 447.395 2.890 0 50 IFAA CCc1ccccc1S(=O)(=O)N=[S@](C)(=O)C1CCN(C(=O)c2ccns2)CC1 2332239068 VJIKWCOCJKZXOL-HHHXNRCGSA-N 441.600 2.797 0 50 IFAA COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccc(F)cc2)cc1OC 9380299 SAKMJRLYVPELEG-BXWFABGCSA-N 442.365 2.947 0 50 IFAA Cc1ccc(CN2CC(=O)N(CCCN3CCCC3=O)C[C@H](OCc3ccccc3)C2)o1 14746906 XAUANTOKXIKWPJ-HSZRJFAPSA-N 439.556 2.830 0 50 IFAA COc1ccc(C(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)cc1OC 14993162 KLXUKYJGCMCFIX-QGZVFWFLSA-N 429.521 2.519 0 50 IFAA CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(OC4CCN(C)CC4)cc3)ccc21 67629460 FDIKNMORYWPVQP-UHFFFAOYSA-N 443.569 2.547 0 50 IFAA O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2 101284294 VXSJVZPJFPQGTN-ZWOKBUDYSA-N 442.537 2.958 0 50 IFAA COC(=O)[C@@H](c1c(F)cccc1Cl)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 170594152 RTXKBEWYXOBFMZ-HNAYVOBHSA-N 425.932 2.712 0 50 IFAA COC(=O)c1nc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)sc1-c1ccc(F)cc1 170622251 QASBJGXIFAVKFI-UHFFFAOYSA-N 445.472 2.994 0 50 IFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 223225331 RQLZGPRGKSTWSN-HNAYVOBHSA-N 429.546 2.863 0 50 IFAA CCOC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@]1(C)O)OCO3 248304291 LXOGFILEDJYPBT-QTEQDKRBSA-N 446.452 2.853 0 50 IFAA COc1ccc([C@H](CNC(=O)C(=O)N2CCC(CO)CC2)c2c[nH]c3ccccc23)cc1 253407846 NOQHBGLWTYWLHD-NRFANRHFSA-N 435.524 2.656 0 50 IFAA CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)c3ccc(Cn4nnc5ccccc54)cc3)CC1)C2 1875253439 UBLDFLHMDWAYFW-VXKWHMMOSA-N 444.583 2.863 0 50 IFAA Nc1ccc(-c2cn(-c3cccnc3C(=O)N3CCCC[C@@H]3c3nncs3)nn2)nc1 1875357916 BPMGZINSXZWHMF-QGZVFWFLSA-N 433.501 2.525 0 50 IFAA O=C1[C@@H](Sc2nnnn2[C@H]2CCOC2)CCCN1Cc1cccc(C(F)(F)F)c1 2325843321 BKDILTDEJIDYQA-GJZGRUSLSA-N 427.452 2.937 0 50 IFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)C1 2807973 MZVPNCGSOXWIKR-LBPRGKRZSA-N 431.345 2.848 0 50 IFAA COc1ccc(OC)c(NC(=O)CSc2nnc(CCCO)n2-c2ccccc2)c1 2863059 PLUPVALNGYUBSQ-UHFFFAOYSA-N 428.514 2.940 0 50 IFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccs3)N(Cc3cccc(C)c3)C2)nn1 12243999 CUZDWVCNAJPNIJ-XLIONFOSSA-N 439.541 2.567 0 50 IFAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)Cc2cnc3ncnn3c2)CC1 12429467 ZEZFAVHWBJUTAI-UHFFFAOYSA-N 435.528 2.862 0 50 IFAA CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19532576 IAFZBXIKPYVWNY-UHFFFAOYSA-N 448.541 2.719 0 50 IFAA COc1cccc(CC(=O)N2CCN(C[C@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1 241942355 ULVZNKQKSMGOGH-DVECYGJZSA-N 429.561 2.639 0 50 IFAA COc1cc(-c2nc(-c3cnc(N(C)C)nc3)[nH]c2-c2oc(C)cc(=O)c2O)ccc1O 1857526354 CFDLJSFGTYVCCL-UHFFFAOYSA-N 435.440 2.948 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)[C@@H]1CCn2ccnc2C1 1875288157 PKPOPWUIBSOGIS-HZPDHXFCSA-N 428.500 2.554 0 50 IFAA C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325899102 OGHBZOGFECUUAG-GQWLDOHISA-N 431.492 2.671 0 50 IFAA CCOC(=O)COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 982664 LPWGPCSXUOKTCC-UHFFFAOYSA-N 438.933 2.793 0 50 IFAA COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1cc(Br)c(O)c(OC)c1 1151752 OBUWLMYTMFQLSM-UHFFFAOYSA-N 438.274 2.839 0 50 IFAA CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)C1 2807907 DXIYZNNIVGTCPF-AWEZNQCLSA-N 430.452 2.560 0 50 IFAA COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 2859578 BHQJECPONJBACA-UHFFFAOYSA-N 446.525 2.830 0 50 IFAA COc1ccc(CN2CCC[C@H](n3cc(C(=O)NCC(C)C)nn3)C2)c(OC)c1OC 11911182 PVUVJAJUTKHZES-KRWDZBQOSA-N 431.537 2.527 0 50 IFAA COC(=O)[C@H](CCSC)NC(=O)c1cc(Cl)ccc1OC1CCN(C(C)=O)CC1 12715356 VLVBTFIKDSBDAI-KRWDZBQOSA-N 442.965 2.754 0 50 IFAA O=C(Nc1cccc(Br)c1)c1cc(S(=O)(=O)N2CCOCC2)cs1 15913871 PHYFCQBYNXKZKN-UHFFFAOYSA-N 431.333 2.784 0 50 IFAA CSc1ccc(S(=O)(=O)NCCC2CCN(C)CC2)cc1C(=O)N1CCCC1 71375526 XVCQAKDPKNSNFP-UHFFFAOYSA-N 425.620 2.655 0 50 IFAA COc1cc(C[C@]2(CCC(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)CCC(=O)N2)ccc1F 244852979 VDALONAHNOXBOR-KDMYQBDASA-N 444.547 2.862 0 50 IFAA CCOC(=O)N1CCN(C(=O)CC[C@@H]2N=C(O)N(c3cccc4ccccc34)C2=O)CC1 252494306 NRPJPARDMLBYHF-SFHVURJKSA-N 438.484 2.550 0 50 IFAA NS(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)c1 804408355 IAFKEBDLZFXWAZ-NRFANRHFSA-N 428.485 2.849 0 50 IFAA Cc1cccc(-c2noc(CCC(=O)Nc3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)n2)c1 1529182614 WFMXECVNHDRFQR-KRWDZBQOSA-N 443.529 2.789 0 50 IFAA O=C(CN1CCN(C(=O)c2cc(-c3ccncc3)no2)CC1)Nc1ccc(Cl)cc1 1875353224 NDKLQWPEACVCDK-UHFFFAOYSA-N 425.876 2.787 0 50 IFAA O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cnc3ccc(Br)cn23)CC1 2325819834 RKWXOGKWPSSUMV-UHFFFAOYSA-N 431.265 2.834 0 50 IFAA CCn1ncc(Br)c1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 2763893 VDRNIKCIFDIFBE-UHFFFAOYSA-N 429.321 2.931 0 50 IFAA CCCN(C[C@@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(CCCOC)C1=O 12571002 HPEZVWDZRQDPOW-CPJSRVTESA-N 444.572 2.836 0 50 IFAA COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3cn[nH]c3)C2)c1 14537155 PCASPXWRPZOVFE-HSZRJFAPSA-N 448.523 2.531 0 50 IFAA O=C1N[C@@H](CC2CCCCC2)C(=O)N2C[C@@H](NCc3cnn(-c4ccccc4F)c3)C[C@@H]12 14543209 KPOGKWYIAVOWLM-VCOUNFBDSA-N 439.535 2.539 0 50 IFAA CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCC[C@H]2C(=O)OC)c1=O 15070178 BYZUOTXHEQZBMO-IBGZPJMESA-N 431.533 2.661 0 50 IFAA CCN(CC)[C@H]1CCN(C(=O)c2coc(CN3CCN(Cc4ccccc4)CC3)n2)C1 19226958 NUQUDRQCOYTOHF-NRFANRHFSA-N 425.577 2.549 0 50 IFAA O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 239025530 BSQQNFFTCNJNFQ-IPWAHQJTSA-N 442.471 2.957 0 50 IFAA Cc1nn(-c2ccc(C(=O)N3CCOC[C@H]3c3nc[nH]n3)cc2)c(C)c1Br 328591630 BWESZSJQZUBERP-HNNXBMFYSA-N 431.294 2.583 0 50 IFAA COc1cccc(CC(=O)N2CCc3ccc(NC(=O)N4CC[C@]5(CNC(=O)C5)C4)cc32)c1 433234111 QNSSQOHHNGQOFC-VWLOTQADSA-N 448.523 2.571 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)Cc2cccc3cccnc23)CC1=O 2325819477 GBXANQJQGWMXHM-OXQOHEQNSA-N 437.521 2.791 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NS(=O)(=O)c2cnc3ccsc3c2)CC1=O 2325819857 SJHDCGQDOFNLSP-DZGCQCFKSA-N 429.523 2.711 0 50 IFAA COc1cc2c(cc1OC)N(C(=O)[C@H](N)c1cccc(I)c1)CC2 2325860631 OCFCOKJBNIEPCM-QGZVFWFLSA-N 438.265 2.898 0 50 IFAA Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(I)cn1 1124244 PCPXXEFKBWZELH-UHFFFAOYSA-N 427.267 2.887 0 50 IFAA COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)cc1OC 1201675 IBIPUPWSZQEJNJ-UHFFFAOYSA-N 444.469 2.556 0 50 IFAA CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 3801163 JSDRRTOADPPCHY-HSQYWUDLSA-N 438.524 2.567 0 50 IFAA biogenic,fda Cn1c(=O)c2c(nc3n2CC(c2ccc(Cl)cc2)=NN3Cc2ccccc2)n(C)c1=O 5226018 JMQBHRJYRXOOON-UHFFFAOYSA-N 434.887 2.512 0 50 IFAA biogenic O=C(O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@H]3C2=O)cc1 8660871 JNFXIHPHMSORHL-LMGFAJPXSA-N 425.440 2.928 0 50 IFAA CC(=O)NC1=NN(C(C)=O)[C@](C)(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)S1 8667382 UTPLQTTYEQYLDB-HNNXBMFYSA-N 438.358 2.876 0 50 IFAA C[C@]1(C2CCN(C(=O)/C=C/c3cccnc3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O 12212531 HKPCGQMNKUCZHF-CCWPHWCFSA-N 436.487 2.983 0 50 IFAA Fc1cccc(N2CCCC2)c1CN[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 237800184 CMKYUHZTLCKCPN-LJQANCHMSA-N 440.567 2.811 0 50 IFAA COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 253424887 ROTVBEIVHPABFK-UHFFFAOYSA-N 441.465 2.770 0 50 IFAA CC[C@H](C)[C@@H](NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1OC)C(=O)OC 253483620 IMHMHQBFJNVXRB-BOFPYLFWSA-N 430.505 2.672 0 50 IFAA CC[C@H](NC(=O)[C@H](NC(=O)C1CCCC1)[C@@H](C)O)[C@@H](O)c1ccc(C(F)(F)F)cc1 1875258139 BGBWUQTVTQJHDV-IUHNQTRMSA-N 430.467 2.689 0 50 IFAA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 706490 UHOGOPMXBVADHU-QLJPJBMISA-N 439.262 2.528 0 50 IFAA biogenic COc1ccc(S(=O)(=O)NCc2ccccc2)cc1S(=O)(=O)NCc1ccccc1 866119 CIUJGIUTKOQQHL-UHFFFAOYSA-N 446.550 2.652 0 50 IFAA CCOC(=O)C1=C(Cn2ccc(C(F)(F)F)n2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 1069822 GIOKBJPXFMUIML-INIZCTEOSA-N 438.362 2.502 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1 2915882 GRAVRUWSRAODOO-CNSVBDKNSA-N 434.517 2.812 0 50 IFAA O=C(O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(CO)(c5ccccc54)[C@@H]3C2=O)cc1 8660870 JNFXIHPHMSORHL-YPHDTHBOSA-N 425.440 2.928 0 50 IFAA CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1=O 8844350 AEDMQEZOVGYYPV-SFHVURJKSA-N 437.521 2.514 0 50 IFAA O=C(NC[C@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1)c1cccnc1 12583077 JQFSXXKUFXHYJD-CQSZACIVSA-N 443.447 2.811 0 50 IFAA COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CSc2nncn2C)cc1 12718825 WDSQEYBXBZMICN-QGZVFWFLSA-N 426.546 2.931 0 50 IFAA Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCCN4CCOCC4)c3N2)cc1 19791149 VASYITXAUZGJNA-QZTJIDSGSA-N 437.466 2.914 0 50 IFAA COC(=O)Nc1cc(NC(=O)C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)ccc1F 727617521 WSINOZNLQQDDRS-YOEHRIQHSA-N 428.464 2.894 0 50 IFAA CCS(=O)(=O)c1cc(Br)ccc1C(=O)N=c1nc(C2(C)CC2)[nH]s1 1875354116 ACMZMJNMXRBHBB-UHFFFAOYSA-N 430.349 2.820 0 50 IFAA COc1ccc(-c2cc(NC(=O)c3ccc(S(=O)(=O)N(C)OC)cc3)ncn2)cc1 1875357161 VLUSZEXRWNDLLO-UHFFFAOYSA-N 428.470 2.586 0 50 IFAA COc1ccc([C@H](CC(=O)NCc2ccccn2)c2c(O)nc3ccccn3c2=O)cc1 2049512033 OFMVQKNMYZGBKE-IBGZPJMESA-N 430.464 2.642 0 50 IFAA O=C(CCCc1nc(O)c2ccccc2n1)NS(=O)(=O)c1cnc(-c2ccccc2)nc1 2325740747 WOGPOTMUZKFVFE-UHFFFAOYSA-N 449.492 2.620 0 50 IFAA CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCc2ccccc2)[C@]12C(=O)Nc1ccccc12 714549 TWYBNKKRQHKNIK-XMMPIXPASA-N 434.448 2.658 0 50 IFAA COC(=O)[C@@H]1CCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(Cc2ccccc2)C1=O 12205738 KUFHBLHLOLCCCO-HFZDXXHNSA-N 448.519 2.746 0 50 IFAA COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)CSc2nc(C)cs2)C1 12299141 PTQHRMKMPFYVLW-MRXNPFEDSA-N 449.598 2.986 0 50 IFAA COc1ccc(CNCCn2ccnc2C)c(OC[C@H](O)CN2CCCCCCC2)c1 12441776 DRMJVFXEOZSJBZ-JOCHJYFZSA-N 430.593 2.996 0 50 IFAA Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc(=O)n(C)n2)CC1 12597499 WTAAKNYQSGDSDQ-QFIPXVFZSA-N 438.572 2.622 0 50 IFAA CC(C)CN1C[C@@H](COc2cccc(F)c2)C[C@@H](C(=O)NCCCN2CCOCC2)C1 14537884 HTENORZSCSQJQG-LEWJYISDSA-N 435.584 2.637 0 50 IFAA CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(OCC(N)=O)cc2)NC(=O)N1 16474801 CEESLDSELCRRGU-SFHVURJKSA-N 448.401 2.836 0 50 IFAA Cc1ccc(S(=O)(=O)NCCCC[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 19865111 YHLJTFYIMBJHBB-IBGZPJMESA-N 434.514 2.823 0 50 IFAA COc1ccc(CNCc2ccccc2Cl)cc1OC[C@@H](O)CN1CCN(C)CC1 20784598 CVEHAZQXIWWTAE-FQEVSTJZSA-N 433.980 2.626 0 50 IFAA Cc1ccc(OC[C@@H](O)CN2CCN(C[C@@H](O)COc3ccc(C)c(C)c3)CC2)cc1C 22942689 IBBXPASVZXULQY-PSWAGMNNSA-N 442.600 2.717 0 50 IFAA Cc1ccc(C2=NO[C@H](CNC(=O)c3ccc4c(c3)C(=O)N(C[C@H]3CCCO3)C4=O)C2)cc1 225744126 HUDDPHCGUJMMKR-MOPGFXCFSA-N 447.491 2.693 0 50 IFAA Cn1c(O)nc2ncc(-c3cccc(C(=O)NC[C@@]4(O)[C@@H]5[C@@H]6[C@H]7[C@H]8C[C@@H]6[C@H]4[C@@H]8C[C@H]75)c3)cc21 427993100 CWJGKPOCHPDLQT-QIZQYWNXSA-N 442.519 2.580 0 50 IFAA O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 434282093 UHGINYBPBSJOTB-OAHLLOKOSA-N 429.945 2.720 0 50 IFAA CC(C)CN1C[C@H]2CN(C(=O)c3sc4ccccc4c3C[S@@](C)=O)CCN2C1=O 1875263205 CMEZMNOVXWCQES-MHTXLSKPSA-N 433.599 2.998 0 50 IFAA O=C(NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21)c1cc2n(n1)CCCC2=O 1875287831 BNPBLEPXHGQEOE-CQSZACIVSA-N 442.483 2.581 0 50 IFAA Cn1c(=O)n(CC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)OCc2ccccc2)c2ccccc21 1875330521 RXYJHQIKLLBHRA-ZRGHVXQMSA-N 433.508 2.614 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3nnc4n3CCCCC4)CC1)OCC2 2356157254 HOIHHMUNDDVHOW-UHFFFAOYSA-N 426.517 2.726 0 50 IFAA CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(F)c(F)cc(F)c3F)C2)c(C)n1 2802670 CFVOXFOGHBTSOU-LLVKDONJSA-N 448.442 2.807 0 50 IFAA Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)n1 72433957 NEGYXQXDWQIQOI-UHFFFAOYSA-N 430.940 2.938 0 50 IFAA CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 170596858 MBRLCTOYRQEFIV-RDJZCZTQSA-N 439.478 2.960 0 50 IFAA Cc1cc(C)c(NC(=O)CNC(=O)CN2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)c(C)c1 170601217 NHGGKLLGJBZKCE-KDURUIRLSA-N 446.592 2.996 0 50 IFAA CN(C)CC(=O)Nc1cccc(CN[C@@H](C2CC2)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 225632425 CDEBJPITIWHFOU-IRLDBZIGSA-N 446.592 2.691 0 50 IFAA O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Oc1ccccc1C(=O)Oc1ccccc1 245226318 QJUQTUHYQBIKIC-YPKJATJDSA-N 443.455 2.864 0 50 IFAA COc1ccc(C(=O)N=c2cc(-c3ccccc3)[nH]n2[C@H]2CCS(=O)(=O)C2)c(OC)c1 334158043 KENKRGZIOIPFCE-INIZCTEOSA-N 441.509 2.601 0 50 IFAA Cc1c(CN2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C 1857679687 QJWZCZJHBWCZSE-RUZDIDTESA-N 432.524 2.734 0 50 IFAA Cn1cc(CNC(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c(C(F)F)n1 1875302051 YLUBVFOYWYZBPL-CYBMUJFWSA-N 447.364 2.861 0 50 IFAA Cc1c(C(=O)N[C@H]2C[C@@H]3CN(C(=O)c4cn5ccnc5s4)C[C@@H]3C2)sc2nccn12 2325875744 AVLKBPOPEGGYTE-WDNDVIMCSA-N 440.554 2.694 0 50 IFAA O=C1C[C@H](c2ccccc2)NCCCN(C(=O)Cc2ccc3c(c2)OCO3)CCCCN1 2356135253 WEGNEQHJWLALDF-OAQYLSRUSA-N 437.540 2.808 0 50 IFAA CCC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 842664 VEYCKQZMUKJGTH-IBGZPJMESA-N 440.496 2.826 0 50 IFAA biogenic O=C(CCCN1C(=O)c2ccccc2C1=O)O[C@H]1CSC[C@H]1NC(=O)c1ccccc1 1070905 RAJPRPMKDJYCLH-MOPGFXCFSA-N 438.505 2.520 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)cc1 1146353 JGTIPAOUQYFAOS-UHFFFAOYSA-N 435.933 2.981 0 50 IFAA COc1ccc(-n2c(=O)c3c4c(sc3n3c(SCC(N)=O)nnc23)CCCC4)cc1 2275804 PGRUMLOITLCQTJ-UHFFFAOYSA-N 441.538 2.560 0 50 IFAA CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OC)c(OC)c2)CC1 4749083 AHVBFADYQHKHIX-UHFFFAOYSA-N 427.501 2.885 0 50 IFAA CCNC(=O)C[C@H]1C(=O)N(c2cccc(OC)c2)C(=O)N1Cc1ccc(OC)c(OC)c1 8599586 PDBBHSXUEFMBLD-SFHVURJKSA-N 441.484 2.576 0 50 IFAA COC(=O)c1ccc(CNCC[C@@H]2CCC(=O)N2Cc2cnn(-c3ccccc3)n2)cc1 11784214 RTXYFWJJYIPCQE-NRFANRHFSA-N 433.512 2.725 0 50 IFAA COc1cc(OC)c(CN2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)c(OC)c1 14993638 LNGRAYYPEVEJJD-IBGZPJMESA-N 445.564 2.586 0 50 IFAA CC(C)Cc1nnc(NC(=O)CSc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)s1 18218129 RUNOLPUOXBHEGX-UHFFFAOYSA-N 431.543 2.847 0 50 IFAA COc1cccc(-c2cc3c(n(Cc4ccccn4)c2=O)CCN(C(=O)c2cn[nH]c2)C3)c1 19221972 LSDRCJMUSJKTHD-UHFFFAOYSA-N 441.491 2.889 0 50 IFAA COc1ccc(-c2noc(CN3CCN(C(=O)c4cccs4)CC3)n2)c(OC)c1OC 19745294 DZFMZGDRBVSQCY-UHFFFAOYSA-N 444.513 2.782 0 50 IFAA COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3nc4ccccc4s3)C2=O)cc1OC 206237989 SZIHFBLUVNTRST-CQSZACIVSA-N 440.481 2.763 0 50 IFAA Cc1nocc1CNc1ccc(S(=O)(=O)N[C@@H]2CCCC23OCCO3)c(Cl)c1 1875342782 GWEAZCQZGAJXNL-QGZVFWFLSA-N 427.910 2.822 0 50 IFAA O=C(NCc1ccnc(NC2CC2)c1)[C@H]1CCC[C@H]1C(=O)NCc1ccnc(NC2CC2)c1 2325730655 SYISERDNMZDEDZ-OYRHEFFESA-N 448.571 2.974 0 50 IFAA O=C(COc1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 899962 ONULPWZUFPBYJL-UHFFFAOYSA-N 428.485 2.891 0 50 IFAA COc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1Br 1131756 SNUOPPKNGAXCHX-UHFFFAOYSA-N 449.348 2.654 0 50 IFAA COc1ccc(CNCC[C@@H]2CCC(=O)N2C[C@@H](O)COc2cccc(OC)c2)cc1 11782822 PEOBRYCMRMMGBF-VQTJNVASSA-N 428.529 2.614 0 50 IFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc(OC)cc1)CC2 14537303 PUIZHNGKSGONQQ-UHFFFAOYSA-N 438.528 2.536 0 50 IFAA COCCCN1C(=O)C[C@@](CC(=O)NCc2cc(F)ccc2C)(c2ccccc2)C1=O 19839775 QARAIXAICGBGKK-DEOSSOPVSA-N 426.488 2.874 0 50 IFAA Cc1c(Cl)c(NC(=O)c2ccn([C@H](C)C(=O)Nc3nn(C)c(C)c3Cl)n2)nn1C 20617537 GKAJMLXKCZOUHE-SNVBAGLBSA-N 439.307 2.726 0 50 IFAA NC[C@@H]1Cc2cc(-c3cc(C(=O)O)cc(S(=O)(=O)N4CCCCCC4)c3)ccc2O1 72143927 CBIRQTZFFXAHNZ-IBGZPJMESA-N 430.526 2.879 0 50 IFAA Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)nn2)nc1 72434322 MWBNHOBHZMZBEI-UHFFFAOYSA-N 446.483 2.713 0 50 IFAA COc1ccc(CNC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)c(OC)c1 169749787 DZZIGMBCWOKDHH-UHFFFAOYSA-N 427.530 2.538 0 50 IFAA CC(=O)Nc1cccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c1 169775627 ZQDRYMSDNOWHMI-UHFFFAOYSA-N 433.443 2.691 0 50 IFAA COc1cccc([C@@H](CNC(=O)[C@@](N)(c2cccc(OC)c2)C(F)(F)F)N(C)C)c1 170607845 XQEUTWSQYUMDLX-QUCCMNQESA-N 425.451 2.839 0 50 IFAA CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(O[C@@H]4CCCC[C@H]4O)cc3)ccc21 225440461 VROWYJDNUSLDEY-NHCUHLMSSA-N 430.526 2.943 0 50 IFAA CN1C(=O)C[C@H](NC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)C1=O 225523580 WHFPWMYWFXUOHU-HNNXBMFYSA-N 434.374 2.837 0 50 IFAA COc1ccccc1CCNC(=O)C[C@H]1N=C(O)N(CCc2c[nH]c3ccccc23)C1=O 252539620 OESFCJDFDXKZHQ-HXUWFJFHSA-N 434.496 2.593 0 50 IFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 409413332 IBJUFGNQYYAZML-RJGXRXQPSA-N 427.589 2.775 0 50 IFAA biogenic CC(C)(C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)c1csc(-c2ccccc2F)n1 432884015 LULCODKHVVBEJQ-ZDUSSCGKSA-N 425.551 2.767 0 50 IFAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 446319403 HQQIMPNKEGNOBG-RPLLJCPNSA-N 425.872 2.840 0 50 IFAA Cn1c(=O)n(CC(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OCc2ccccc2)c2ccccc21 1875330520 RXYJHQIKLLBHRA-PTRHGPIFSA-N 433.508 2.614 0 50 IFAA Cc1sc(C(=O)O[C@H](C(N)=O)c2cccc(Br)c2)cc1CS(C)(=O)=O 2325711833 WSKYFJKZWMGPTL-AWEZNQCLSA-N 446.344 2.747 0 50 IFAA C=CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)C1 2325889285 IKTRHJGGHOKRIU-OAHLLOKOSA-N 438.450 2.806 0 50 IFAA Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccccc1F 1062642 GRXBRGLGYCIEID-UHFFFAOYSA-N 431.468 2.797 0 50 IFAA CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc2ccccc2c1=O 2419746 IBIRXXCWYDCEDD-UHFFFAOYSA-N 426.517 2.996 0 50 IFAA Cn1nc(C(=O)Nc2ccc(N3CCOCC3)c3nonc23)c(Cl)c1C(F)(F)F 2780779 VDRAKFUGKNVJTR-UHFFFAOYSA-N 430.774 2.717 0 50 IFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)c2cccc3cccc(c23)C1=O 8757460 OTIMNPOCANXQLF-FQEVSTJZSA-N 430.460 2.726 0 50 IFAA CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cccc3cnccc23)cc1 11771803 YTCRUJAFXMKRHY-DEOSSOPVSA-N 446.551 2.983 0 50 IFAA Cc1c(CN2C(=O)c3cccc(N4CCC[C@H](C(=O)N5CCCCC5)C4)c3C2=O)cnn1C 12247648 ODYYUPSJKXKORF-SFHVURJKSA-N 449.555 2.754 0 50 IFAA CC(C)OCCCNC(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 12710562 IXNLYLCNPHYHSQ-DEOSSOPVSA-N 437.584 2.940 0 50 IFAA O=C1CN(C(=O)[C@H]2CCOC2)C[C@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14752424 NBAWQCXCUHNOIL-JTHBVZDNSA-N 440.515 2.661 0 50 IFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCCCCC3)N(CCCc3ccccc3)C2)nn1 14882770 WDLUPSHHOCTLSE-IRLDBZIGSA-N 439.560 2.716 0 50 IFAA COc1ccc(CN2CCc3[nH]ncc3C2)cc1OC[C@H](O)CN1CCCCCCC1 15073896 VSZHVCRXPOCOOV-OAQYLSRUSA-N 428.577 2.982 0 50 IFAA CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 65362228 HJIDCAIRVCFYPW-SFHVURJKSA-N 434.500 2.680 0 50 IFAA COc1ccc2c(c1)cc(C(=O)N[C@H](C)C(=O)N1CCN(Cc3ccccc3)CC1)n2C 67630429 YONZNZMITONVBV-GOSISDBHSA-N 434.540 2.650 0 50 IFAA CC1=CC(C)(C)N(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c2cc3c(cc21)OCO3 334160994 QLNXUZMVLOHPQG-UHFFFAOYSA-N 437.496 2.995 0 50 IFAA Cc1cocc1C(=O)N[C@H]1CCOC2(CCS(=O)(=NC(=O)CCc3ccon3)CC2)C1 2332238311 KOAXBASITNPTKU-ACDRYYCLSA-N 449.529 2.645 0 50 IFAA CS(=O)(=O)N1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1 805036 DNZOQUFJYLFBTO-UHFFFAOYSA-N 439.537 2.939 0 50 IFAA COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C 1065571 FLYHKLHPVVZCGR-UHFFFAOYSA-N 434.514 2.733 0 50 IFAA O=C(CCC1CCN(C(=O)CCn2cccn2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 11817295 NQWRSZKNOJXLBQ-HSZRJFAPSA-N 437.588 2.683 0 50 IFAA Cc1nc(CN2C[C@@H](OCc3ccccn3)CN(C(=O)c3occc3C)CC2=O)cs1 14540469 UCFLFUMSWAGCGI-LJQANCHMSA-N 440.525 2.818 0 50 IFAA COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)c(OC)cc1C)CC2 20786096 XMCXPJUZBLEMJC-FQEVSTJZSA-N 443.592 2.812 0 50 IFAA Cc1nc(CN2C[C@H](OCc3ccncc3)CN(Cc3ccc(O)cc3)CC2=O)cs1 20995861 NBWZFVLUZWACCV-JOCHJYFZSA-N 438.553 2.982 0 50 IFAA CCN1CCN(c2ncc(-c3cc(=O)[nH]c(N4c5ccccc5C[C@@H]4C)n3)c(C)n2)CC1 36235755 ARQFRNKRDZQOQA-INIZCTEOSA-N 431.544 2.760 0 50 IFAA COc1ccc(-c2ccc(=O)n(CC(=O)N3CCO[C@H](c4ccccc4)C3)n2)cc1OC 44917760 VTSASULZSFKJOP-QFIPXVFZSA-N 435.480 2.528 0 50 IFAA CC(C)COC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 239425762 VFKSJBKTHFNPEF-IJTPNBLQSA-N 436.508 2.880 0 50 IFAA O=C(O)C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCO1 486395920 DXILGLYTQDOHEG-APWZRJJASA-N 430.888 2.903 0 50 IFAA COc1ccnc(CN2CC3(CCN(Cc4ccc5c(c4)CCO5)CC3)OCCC2=O)c1 1704353638 QGMZKLVOQUKKOE-UHFFFAOYSA-N 437.540 2.809 0 50 IFAA Cc1cc(C(=O)N2CCCCNC(=O)C[C@H]3CCCCN3CCC2)c2c(C)nn(C)c2n1 2100533465 QBJOOVULIUBFNH-LJQANCHMSA-N 440.592 2.572 0 50 IFAA Cc1cccc(C(C)(C)CNC(=O)Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)c1 2325898111 SLBSJLDOEHUTAD-HXUWFJFHSA-N 448.523 2.855 0 50 IFAA CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)NCCc1ccccc1 2840914 BWHARRQQLFJLNP-UHFFFAOYSA-N 437.569 2.987 0 50 IFAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)CC2)cc1 17099026 WXCCJTKEOOTJCM-DBVUQKKJSA-N 434.558 2.700 0 50 IFAA Cc1cc(=O)c(C(=O)NC(C)C)c(Cc2cccc(F)c2)n1CCCN1CCOCC1 20234570 NRQMHOKTXZNGHF-UHFFFAOYSA-N 429.536 2.747 0 50 IFAA CN(C[C@H](O)COc1ccc(Cl)cc1Br)[C@@H]1CCC[C@H]1S(C)(=O)=O 252675355 TVOVFUMLBFCUFG-JGGQBBKZSA-N 440.787 2.740 0 50 IFAA COc1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1Cl 263616590 JOLLLMMEWGAZRC-UHFFFAOYSA-N 438.871 2.956 0 50 IFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 426198467 JIOJWPXXGJJMIR-XZTKBFAISA-N 431.939 2.866 0 50 IFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N2C[C@H]3CN(CC(C)C)C[C@@]3(CO)C2)s1 1772815143 JULXYYTWFGXLDP-UZLBHIALSA-N 439.603 2.591 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccc3c(c2)CCCO3)C1 1857682836 OPZPVIMQNMNBBK-MVERNJQCSA-N 441.616 2.841 0 50 IFAA Cn1ccn2ncc(C(=O)N3CCCOc4cccc(c4)CC[C@@H]4CCCCN4C(=O)C3)c12 1857706719 OLFXVXYVAQQBRU-FQEVSTJZSA-N 449.555 2.911 0 50 IFAA COc1cccc(C(=O)N2CCN(C(=O)c3ccc4nc5n(c4c3)CCC5)CC2)c1OC 1875257729 CSOMURAGVHNYSH-UHFFFAOYSA-N 434.496 2.598 0 50 IFAA O=C(N[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)CCNC2=O 1875358547 AAZWWXKZBAZNOZ-SUBBYTNISA-N 443.547 2.921 0 50 IFAA O=C(NC[C@H]1CC2(CC2)CN1C(=O)c1ccc(Cl)c(O)c1)c1cc2ncccn2n1 1875361429 RZRCHSWDSJROQQ-CQSZACIVSA-N 425.876 2.513 0 50 IFAA C[C@H](CNC(=O)C(=O)Nc1cnc(-c2cccc(F)c2)nc1)N1CCc2ccccc2C1 2325729478 VPVWOQWHFXUIGT-MRXNPFEDSA-N 433.487 2.784 0 50 IFAA CCO[C@H](C)C(=O)N1CCC[S@](=O)(=NC(=O)c2csc(-c3ccc(C)o3)n2)CC1 2332238804 MFBHNTLRHNJEPX-IZPCHGGPSA-N 439.559 2.977 0 50 IFAA CCN(Cc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC 12304055 XMCYTYKVPCVEOQ-UHFFFAOYSA-N 437.610 2.639 0 50 IFAA COc1cc(CN2CCCC[C@H]2CCn2cc(C(=O)NC(C)C)nn2)cc(OC)c1OC 14991736 KDBXKAMQYMJZPQ-SFHVURJKSA-N 445.564 2.887 0 50 IFAA COCCn1c(CN2CCCN(C3CCCCC3)CC2)cnc1S(=O)(=O)CC1CC1 19840593 ZUZPZKPCMZEACD-UHFFFAOYSA-N 438.638 2.554 0 50 IFAA COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)c(OC)cc1C)CC2 20786100 XMCXPJUZBLEMJC-HXUWFJFHSA-N 443.592 2.812 0 50 IFAA COc1cccc(CN2C[C@@H](NC3Cc4ccccc4C3)C[C@H]2C(=O)NC(C)C)c1OC 23362082 YXTKTFDNRZSMEM-GOTSBHOMSA-N 437.584 2.928 0 50 IFAA Cn1nc2c(c1C(=O)N1CCC[C@H](N3CCN(c4ccccc4F)CC3)C1)CCCC2 55183135 HGXBWXSXMKHFQN-SFHVURJKSA-N 425.552 2.865 0 50 IFAA O=C(c1ccc2c(c1)OCO2)N1CC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 169778057 XCSLPTKUVODHFG-INIZCTEOSA-N 430.424 2.811 0 50 IFAA CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 240707715 HPZSBYIAKJZZMZ-JYJNAYRXSA-N 428.938 2.899 0 50 IFAA O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)N1CC[C@H](N2CCCC2=O)C1 792217243 LRRCWLYVCXLQJU-SFHVURJKSA-N 441.557 2.875 0 50 IFAA Cc1ccc(-n2c(S[C@@H]3CCN(c4ccn(C)n4)C3=O)nnc2-c2cnccn2)cc1 1875262675 YCCUDBMSJHIZBY-QGZVFWFLSA-N 432.513 2.664 0 50 IFAA O=C1c2ccccc2C(=O)N1N1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O 712391 RDJDAEZAHILTAY-UHFFFAOYSA-N 437.367 2.662 0 50 IFAA COC(=O)c1ccccc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 827699 WYCQTNDTJQMPIZ-UHFFFAOYSA-N 441.303 2.640 0 50 IFAA CCN(CCN1CCCC1)C(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 11665468 BMHBHFMCNCTWOP-UHFFFAOYSA-N 429.540 2.694 0 50 IFAA CCOc1cc(CN2CCC3(CC[C@@H](CNC(=O)c4ccnn4C)O3)CC2)ccc1OC 11813985 OTFGAIVWYFUFMR-IBGZPJMESA-N 442.560 2.771 0 50 IFAA COCCNC(=O)c1cn(CCC(C)C)cc(C(=O)N(C)CCc2ccccc2)c1=O 12213895 LYBODESMQQALPX-UHFFFAOYSA-N 427.545 2.585 0 50 IFAA COc1cc(OC)c(NC(=O)N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1Cl 35597332 LEKYOUQVIBTEFO-UHFFFAOYSA-N 443.895 2.687 0 50 IFAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 44893620 GVQONADMUTYTDP-UHFFFAOYSA-N 440.450 2.546 0 50 IFAA CSCC[C@@H](NC(=O)CCCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2[nH]1 223212151 GCHSGZDDHHCMNA-GOSISDBHSA-N 437.525 2.945 0 50 IFAA Cc1nc(C)c(S(=O)(=O)NC(C)(C)CC(=O)N2CCN(c3ccccc3)CC2)s1 225829153 VHDPEIYFXAVJLN-UHFFFAOYSA-N 436.603 2.556 0 50 IFAA CN1CCCc2ccc(S(=O)(=O)NC(=O)c3ccc(-n4cnc5ccccc54)nc3)cc21 775255082 ONWGEIOYNVIRFP-UHFFFAOYSA-N 447.520 2.922 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)Cn3cnc4ccccc4c3=O)CC1)OCC2 1704301193 OMOMEYXVROJBFM-UHFFFAOYSA-N 449.507 2.504 0 50 IFAA CCc1cnc(C)nc1N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857702260 GEQPYVOVUJEHAI-NRFANRHFSA-N 428.508 2.762 0 50 IFAA CCc1cccc2c1N(C(=O)Nc1ccc3c(c1)CN([C@H]1CCC(=O)NC1=O)C3=O)CC2 2325901508 JAWLQGQVKDMNJC-IBGZPJMESA-N 432.480 2.605 0 50 IFAA CCOC(=O)C1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 785733 BWEUHDUWBWZSGN-UHFFFAOYSA-N 448.516 2.823 0 50 IFAA CCOC(=O)C1=C(Cn2ccc(C(F)(F)F)n2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 1069825 GIOKBJPXFMUIML-MRXNPFEDSA-N 438.362 2.502 0 50 IFAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCN(c3ccccc3O)CC1)C2 14535364 YAKKOHKSLDWCRR-LJQANCHMSA-N 437.588 2.821 0 50 IFAA O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 14747851 NREIVKKLPWYEQS-QGTPRVQTSA-N 447.322 2.826 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CN(C)CCc3ccccc3)cc2OC)CC1 19741230 HQJRMAAGEQIJPA-XMMPIXPASA-N 441.616 2.747 0 50 IFAA C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC[C@@H](NS(C)(=O)=O)C1 229756101 HYTHEVIYSNDMSN-QFBILLFUSA-N 448.614 2.715 0 50 IFAA COc1ccc([C@H](NC(=O)CN2CCC[C@@H](C(=O)Nc3nncs3)C2)C(C)C)cc1 229829952 VHXJWKDCFUNQIT-VQIMIIECSA-N 431.562 2.711 0 50 IFAA COc1ccc(N2C(=O)[C@@H](CC(=O)NCCc3c[nH]c4ccc(OC)cc34)N=C2O)cc1 252552858 VBRBXVHSCBCRFL-HXUWFJFHSA-N 436.468 2.563 0 50 IFAA CC(C)c1ccccc1-c1cn(-c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)nn1 1875355330 HFDMJKRJXGEISO-NRFANRHFSA-N 429.480 2.819 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1ccc(OC)cc1 831268 XATLBWUBRVJJAV-SQWSFHKJSA-N 438.480 2.556 0 50 IFAA COc1ccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1OC 8396183 MCRYSWLLQVTFKZ-UHFFFAOYSA-N 430.592 2.652 0 50 IFAA CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc3c(c1)OCCO3)CCO2 12079926 XTWYUWTXHNFZKX-OAQYLSRUSA-N 437.540 2.563 0 50 IFAA COc1cc(C[C@H](C)N2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)ccc1O 14539446 UNGVBRRGDNXYTA-KRWDZBQOSA-N 438.528 2.656 0 50 IFAA CN(Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)c(=O)[nH]1)Cc1cccs1 14879715 WPDHTRBNFKGMSS-MRXNPFEDSA-N 425.510 2.638 0 50 IFAA COc1ccccc1CCC(=O)Nc1cnn(CC(=O)N(C)CC[C@@H]2CCCCO2)c1 14989364 DRIFATYHPXQFEG-FQEVSTJZSA-N 428.533 2.881 0 50 IFAA CN1C(=O)C[C@@](CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)(c2cccc(F)c2)C1=O 15066736 CRAZRKQMRKTGQP-KXZPLDGJSA-N 449.526 2.700 0 50 IFAA COCc1nn2c(nnc3c(=O)n(CCCN(C)C)ccc32)c1-c1ccc(Cl)cc1 40396088 OHMPOTXNHLGYLH-UHFFFAOYSA-N 426.908 2.858 0 50 IFAA CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCc3ccccc32)C1 253392732 YXRPIOJLXYRXIS-XMMPIXPASA-N 439.560 2.619 0 50 IFAA COc1ccc(C(=O)Nc2cc3c(N4C[C@@H](C)O[C@H](C)C4)ncnc3nc2O)cc1OC 390834828 FXBZQUSHUJWAPN-CHWSQXEVSA-N 439.472 2.614 0 50 IFAA COc1cc(Br)cc(OC)c1C(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)O 1875323137 YQGUMCZZTKNBEP-LBPRGKRZSA-N 438.274 2.845 0 50 IFAA NS(=O)(=O)c1ccc(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 824913 UFXBPIGNDBMZFE-LBPRGKRZSA-N 428.750 2.934 0 50 IFAA COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCCN3CCCC3)c(C)o2)cc1OC 4079694 HTZDZRCLILGQEB-HKBQPEDESA-N 449.573 2.518 0 50 IFAA CN(C[C@@H]1COCCO1)C(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1 12075637 OWQSQBVDOOEHTD-RUZDIDTESA-N 443.632 2.669 0 50 IFAA CC(C)CN1C[C@H](OCc2cccnc2)CN(C(=O)CCC(=O)c2ccccc2)CC1=O 14538551 YGLJUWHDFCEJAC-QFIPXVFZSA-N 437.540 2.957 0 50 IFAA COCCn1cc(C(=O)NCCc2cccc(Cl)c2)c(=O)c(C(=O)N(C)CC(C)C)c1 14987755 YNBNGIWSSRAULC-UHFFFAOYSA-N 447.963 2.849 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCCCc3ccccc3)cc2OC)CC1 20451026 SHMBHYGNTOTIPJ-DEOSSOPVSA-N 441.616 2.795 0 50 IFAA CCCOc1ccc(C(=O)CCC(=O)N2CCC(n3cnc(C(=N)O)c3N)CC2)cc1 328591468 FHNSRSJJKZWLJT-UHFFFAOYSA-N 427.505 2.964 0 50 IFAA Cc1ccc(-c2nnco2)cc1N1C(=O)[C@](C)(c2ccc(S(C)(=O)=O)cc2)N=C1O 328595381 SUSFDPUAZNDFDX-FQEVSTJZSA-N 426.454 2.625 0 50 IFAA NC(=O)COc1cccc(CNC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)c1 806876496 YUFOKYYBUMIYOZ-HSZRJFAPSA-N 433.508 2.996 0 50 IFAA O=C(CCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O)NC[C@H]1CCCN2CCCC[C@@H]12 886025721 XZALTYYBLGTSSQ-BAGYTPMASA-N 438.572 2.536 0 50 IFAA COCCCOCCC(=O)N1CCOC[C@@H]1c1c(C)nn(-c2cccc(OC)c2)c1C 952892561 IBDMZLCPUVWQSN-OAQYLSRUSA-N 431.533 2.841 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCCc2nc(C)c(C)s2)C1 1857704246 KINGOOMPZRSJOB-ZRCGQRJVSA-N 434.650 2.632 0 50 IFAA C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)C1 2325899105 OGHBZOGFECUUAG-NQERJWCQSA-N 431.492 2.671 0 50 IFAA COc1ccccc1-n1c(SCC(=O)Nc2cc(C)on2)nc2c(c1=O)SCC2 9369182 MTIYGRRHAKTENR-UHFFFAOYSA-N 430.511 2.917 0 50 IFAA COc1cccc(CNc2ncnc3sc(C(=O)N4CCC[C@@H](C(N)=O)C4)c(C)c23)c1 11970502 NVPQCQUBUCENRP-OAHLLOKOSA-N 439.541 2.958 0 50 IFAA COc1cccc(CNc2ncnc3sc(C(=O)N4CCC[C@H](C(N)=O)C4)c(C)c23)c1 11970507 NVPQCQUBUCENRP-HNNXBMFYSA-N 439.541 2.958 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc3ncccc3c2)c(C)c1C 12307644 NLZWNRWRMWOAHS-HSZRJFAPSA-N 446.551 2.867 0 50 IFAA CN1N=C(C(=O)N2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)CCC1=O 12716014 ULZUKUMEVYVOMB-GOSISDBHSA-N 432.524 2.930 0 50 IFAA COCCn1c(C(=O)OC)c(NC(=O)c2ccco2)c2cc(N[C@@H](C)C(C)(C)O)cnc21 14539339 JYQBAPJRYRWMKF-ZDUSSCGKSA-N 444.488 2.886 0 50 IFAA COc1ccc(CC(=O)NC[C@H]2Cc3cccc(-c4cncc(C(N)=O)c4)c3O2)cc1OC 15006409 AAOHVZLNSAVCRW-LJQANCHMSA-N 447.491 2.527 0 50 IFAA O=C(NC[C@@H]1CCCO1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 16647938 XEHWSJXULFAXHV-HNNXBMFYSA-N 435.373 2.830 0 50 IFAA O=S(=O)(c1ccc2ccccc2c1)N(C[C@@H](O)CN1CCOCC1)c1ccccc1 20150252 NRHAHXFSEJKCFS-QFIPXVFZSA-N 426.538 2.728 0 50 IFAA CC(C)Oc1ccc(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)cc1CO 22852452 NJALMTKSFYJBQO-DEOSSOPVSA-N 433.637 2.708 0 50 IFAA O=C(NCC1(c2ccccc2)CCCCC1)[C@@H]1CCC(=O)N(CCN2CCOCC2)C1 67604809 YOYDBZJSKWNDKP-OAQYLSRUSA-N 427.589 2.576 0 50 IFAA CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCOCC2)C1 252550658 SWQLGKBVXBXXBE-FPOVZHCZSA-N 446.592 2.682 0 50 IFAA O=C(NCCc1ccc(Cl)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 253425163 BDQUILWEWSSRLK-KRWDZBQOSA-N 443.352 2.742 0 50 IFAA Cc1ccc(C(=O)N2CCC(C(=O)N(CCN3CCOCC3)Cc3ccco3)CC2)cc1 952987861 HCFWGLDQMPROBT-UHFFFAOYSA-N 439.556 2.801 0 50 IFAA COc1cc(-c2nc(CNC(=O)CCc3c(C)nc4ncnn4c3C)c(C)o2)ccc1O 1857693758 LCQIKVQNZBMAPC-UHFFFAOYSA-N 436.472 2.668 0 50 IFAA O=C(N[C@@H]1CCN(C2CC2)C1=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1875253504 XSMHJCBUYWQVLY-OAHLLOKOSA-N 430.858 2.850 0 50 IFAA Cc1cc(NC(=O)c2nn(C)c3ccccc23)ccc1NC(=O)c1cnn2c1C[C@@H](N)CC2 1875324116 IGGBVCXVDFHFJV-HNNXBMFYSA-N 443.511 2.856 0 50 IFAA Cc1csc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1Br 2325839452 UPUFQQJIPKRLAO-ZQDZILKHSA-N 449.374 2.782 0 50 IFAA COC(=O)c1sc2cc(NC(=O)C3CCN(S(C)(=O)=O)CC3)ccc2c1Cl 2804027 VEQDFJSUEFREQS-UHFFFAOYSA-N 430.935 2.951 0 50 IFAA COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)Nc2cccc(Cl)c2)c1 9237415 IJTPCSBOHGJHDM-QGZVFWFLSA-N 446.891 2.718 0 50 IFAA COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)CN4CCOC4=O)C3)cc2)c1 12199732 GIJVVKBQKJIHCY-LJQANCHMSA-N 437.496 2.992 0 50 IFAA CO[C@H](CNC(=O)Cn1cc(NC(=O)CCOc2ccccc2)cn1)c1cccs1 12281399 OSASLDCRTCFAHE-GOSISDBHSA-N 428.514 2.856 0 50 IFAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1csc(SC)n1)CC2 14732213 NAYSMIIODWSFCL-UHFFFAOYSA-N 443.554 2.880 0 50 IFAA CCOC(=O)c1nn(CC2CC2)c2c1CN(C(=O)[C@@H]1CC(=O)OC13CCCCC3)CC2 14741849 WVYLQJIVUZBSLM-KRWDZBQOSA-N 429.517 2.621 0 50 IFAA Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1cccc(F)c1F)CC2 299775720 HUSQDSRUVYMBDY-MOEXGYKKSA-N 430.455 2.957 0 50 IFAA O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)cc3OC(F)F)cc2)C1 460835727 HAUYQBWQCOEIFZ-SNVBAGLBSA-N 444.387 2.665 0 50 IFAA COc1ccccc1C[C@@H](NC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(C)C 477661144 BVFDJZZEOPWTEZ-CYBMUJFWSA-N 437.426 2.718 0 50 IFAA O=C(CC[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NC[C@@H]1CCCN2CCCC[C@H]12 888088228 MMQQPBNERVFTQM-DFQSSKMNSA-N 446.979 2.921 0 50 IFAA Cc1noc(C)c1-c1ccc(S(=O)(=O)N(Cc2ccccn2)C[C@@H]2CCC(=O)N2)s1 1506403428 ORNGGZBIAIJYNZ-INIZCTEOSA-N 446.554 2.884 0 50 IFAA CCN1CCN(CCOc2ccccc2CN2CCO[C@H](CO)[C@H]2c2ccccc2)CC1 1529120790 KHEZCCUMJREGCP-CLJLJLNGSA-N 439.600 2.637 0 50 IFAA COc1ccc([C@@H](CC(=O)NCc2cccnc2)c2c(O)n3ccccc3nc2=O)cc1 1776111814 RFINADDMMSKAHO-LJQANCHMSA-N 430.464 2.642 0 50 IFAA CCOC(=O)c1ccc(NC(=S)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 1427822 XYLWXRCAZOXORE-UHFFFAOYSA-N 438.553 2.989 0 50 IFAA CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1 6023525 FHPOFRBFZXIJIL-UHFFFAOYSA-N 441.509 2.976 0 50 IFAA CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OC 19894135 JKKTTWYHKIQCJE-WOJBJXKFSA-N 428.485 2.688 0 50 IFAA O=C([C@H]1CCCO1)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1 20778922 LKFAQVXOZPGDPZ-HSZRJFAPSA-N 425.529 2.500 0 50 IFAA O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1cc(Cl)ccc1Cl 36051255 FPHRKGHMQBNMNY-UHFFFAOYSA-N 449.404 2.670 0 50 IFAA COc1ccc(OCC23OC4C5(CCCO5)C(O2)C2(CCCO2)C(O3)C42CCCO2)cc1 43199175 GWPOSULFHKKNAB-UHFFFAOYSA-N 446.496 2.572 0 50 IFAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4ccc(C)cc4Cl)c2=O)CCCC3)no1 169763843 IMEBKEULTKQJGG-UHFFFAOYSA-N 443.891 2.559 0 50 IFAA C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 253417219 NWIYNSDJAWCBFM-NVXWUHKLSA-N 440.562 2.636 0 50 IFAA O=C(O)CN(CCc1ccccc1)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 427727989 NPTMBEGOKDVIPA-FQEVSTJZSA-N 426.488 2.763 0 50 IFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N4[C@H]5CC[C@H]4c4ccccc45)ccc3C2=O)C(=O)N1 2325898925 FEOCSNZITIYFQE-UFYCRDLUSA-N 430.464 2.871 0 50 IFAA CC1(C)c2ccccc2CCN1C(=O)Nc1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325901370 BEORVCHYIUICFG-HXUWFJFHSA-N 446.507 2.773 0 50 IFAA O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 1113240 YRYNHFCJTNSYHV-UHFFFAOYSA-N 440.525 2.600 0 50 IFAA CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Cl)N(NC(=O)c2cccc(F)c2)C1=S 1182379 UEEDTDPTNAMYCF-INIZCTEOSA-N 448.907 2.970 0 50 IFAA COCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cccc(O)c3)CC2)C1=O 14751517 KFWTZKDEZUYQSG-UHFFFAOYSA-N 437.540 2.880 0 50 IFAA CCNC(=O)c1nn(CC2CC2)c2c1CN(C(=O)CN1CCC[C@H](c3ccccc3)C1)CC2 14754100 QICUZOJQOMWDGC-NRFANRHFSA-N 449.599 2.807 0 50 IFAA Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)nc(N2CCOCC2)n1 64800207 UJCIQYOGALZVLP-UHFFFAOYSA-N 430.940 2.938 0 50 IFAA CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 67621920 SWVPRXPWQSVSNC-UHFFFAOYSA-N 443.569 2.765 0 50 IFAA CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 248176179 VVRZYAAZHPSTHP-NZSAHSFTSA-N 449.617 2.968 0 50 IFAA COC(=O)C[C@@H](c1c(O)ncc(C(=O)OC)c1O)c1coc2ccc(Cl)cc2c1=O 253623987 XVAHQEUYOQSTBD-SNVBAGLBSA-N 433.800 2.734 0 50 IFAA biogenic C[C@@]1(c2cccc(-c3noc([C@H]4CC(c5cc(F)ccc5F)=NO4)n3)c2)NC(=O)NC1=O 761936736 WKRBZMSORJPACW-IERDGZPVSA-N 439.378 2.935 0 50 IFAA Cc1ccc(F)c(N2CCC[C@H](NC(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)C2)c1 1875263523 NZYGUKOFQPCSOU-UJWWHLLRSA-N 425.548 2.911 0 50 IFAA O=C1NC[C@@]2(CNC(=O)C3(CCNCC3)COCC=CCc3ccccc31)CC21CCC1 2325894009 JJRLTYSZGKAMEC-AREMUKBSSA-N 437.584 2.592 0 50 IFAA Cc1cc(N(C)C)cc(C)c1CC(=O)N=[S@]1(=O)CCCN(C(=O)C2CSC2)CC1 2332239175 ZMZNJHDLABKHIA-LJAQVGFWSA-N 437.631 2.502 0 50 IFAA CC[C@H](C)CC(=O)N1CCC([C@]2(Cc3cccc(F)c3)NC(=O)N(CCOC)C2=O)CC1 12099210 QYEIOXKECANWFI-XDHUDOTRSA-N 447.551 2.980 0 50 IFAA CCCC(=O)N1CCC([C@@]2(Cc3ccccc3C)NC(=O)N(CCCN(C)C)C2=O)CC1 12281112 GBKXYNAHKHQBDR-RUZDIDTESA-N 442.604 2.819 0 50 IFAA CN(Cc1cccs1)C(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 12432289 XTGICDFBSKNZRE-UHFFFAOYSA-N 437.587 2.670 0 50 IFAA O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2CCN(C(=O)Oc3ccc(Cl)cc3)C[C@H]12 14755771 OEMASGPRWMSMNS-ZWKOTPCHSA-N 448.306 2.746 0 50 IFAA O=C(CC[C@@H]1CCCN(C(=O)C2CCOCC2)C1)N1CCN(Cc2ccccc2)CC1 14954375 UQSHOVDELFRNSY-QFIPXVFZSA-N 427.589 2.776 0 50 IFAA COc1ccc(CNCCc2cnn(C)c2)cc1OC[C@H](O)CN(C)Cc1ccccc1 23339482 DQBNKCOBUYZTIW-HSZRJFAPSA-N 438.572 2.633 0 50 IFAA COc1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)N4CCCN4[C@H]3C2=O)c1 138554473 NEQYFFVJHRIPRS-IPMKNSEASA-N 442.313 2.993 0 50 IFAA CC[C@H]1CN(CC(=O)N2CCC[C@@H](C(=O)c3nccn3C)C2)Cc2cc(OC)ccc2O1 299789812 ADTOCOHFBKCQSY-MJGOQNOKSA-N 440.544 2.523 0 50 IFAA O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 426240513 RFISQRPHOMHRAR-YSEBXJKWSA-N 431.939 2.866 0 50 IFAA Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1 728280824 PTTYZYXNDOAZAP-UHFFFAOYSA-N 440.566 2.626 0 50 IFAA O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1ncn(Cc2cccc(F)c2)n1 1857532094 UGQWIWJYPVYUNY-UHFFFAOYSA-N 428.489 2.757 0 50 IFAA CC(C)(NC(=O)c1cc2ccccc2s1)[C@@H]1CCCN1C(=O)CN1C(=O)CCC1=O 1875322654 ZRHNWEHIBDMWID-KRWDZBQOSA-N 427.526 2.550 0 50 IFAA CCS(=O)(=O)n1nc(NCc2cccc(OC)c2)nc1NCc1cccc(OC)c1 2882320 VNHNLDOLDGQVNS-UHFFFAOYSA-N 431.518 2.717 0 50 IFAA O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCCCn1ccnc1)C2)c1cccc(F)c1 12245329 HBUXRLSCAFCRLF-AWEZNQCLSA-N 441.488 2.683 0 50 IFAA O=C(NCCO)c1cn(C2CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)nn1 15001558 BUJWPRVNHNWFQP-UHFFFAOYSA-N 429.908 2.751 0 50 IFAA CSc1ccc(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 19741329 YRWKGCDYRXXRQE-UHFFFAOYSA-N 443.598 2.537 0 50 IFAA CC(=O)O[C@H]1CC[C@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C2=CC(=O)OC2)[C@@]1(C)CC[C@H]43 254702322 IRJWPUOTLSQRFN-XWMMZTFMSA-N 444.524 2.835 0 50 IFAA CNC(=O)[C@@H]1C[C@@H](NC2CCN(Cc3ccccc3)CC2)CN1C1Cc2ccccc2C1 299769849 JIKDNWKWFSIJDT-RSXGOPAZSA-N 432.612 2.597 0 50 IFAA O=C(COc1ccc(F)cc1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 301061856 CISSGLRHGMQVIN-UHFFFAOYSA-N 432.459 2.658 0 50 IFAA NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cc(F)c(F)cc1N1CCOCC1 492952469 MTWRJDJQIIKXIN-QGZVFWFLSA-N 438.862 2.673 0 50 IFAA O=C1CCc2cc([C@H](O)CCC(=O)N3CCC[C@@H](Cc4nnc5ccccn45)C3)ccc2N1 1875262181 JSIOAIGZBNAFGY-LAUBAEHRSA-N 447.539 2.909 0 50 IFAA CCOC(=O)c1cc2cc(C(=O)NS(=O)(=O)c3cncc(OC(C)C)c3)ccc2[nH]1 1875350993 HMZUIOADUHJOKD-UHFFFAOYSA-N 431.470 2.646 0 50 IFAA C[C@H]1c2ccccc2C[C@@H](C)N1C(=O)Nc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325901701 UNWMLKFGCRKYNB-WIEQDCTASA-N 446.507 2.987 0 50 IFAA CC[C@H](OC)C(=O)N=S1(=O)C[C@H]2C[C@@H](CN(C(=O)c3cccc(OC(F)F)c3)C2)C1 2332238204 FQXUVANYBCUXHY-ZQIUZPCESA-N 444.500 2.800 0 50 IFAA COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2Cc2ccc(F)cc2)cc1 1185074 LOCYNMCQPNDDPU-KRWDZBQOSA-N 429.473 2.569 0 50 IFAA O=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)c(Cl)c1 1230295 GJYTZCIMKRORMQ-UHFFFAOYSA-N 436.338 2.847 0 50 IFAA O=C(NCc1nnc2n1CCC2)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11878813 GUVTVXXOCNFLQG-SFHVURJKSA-N 443.555 2.703 0 50 IFAA CCC(CC)C(=O)N1CCc2c(C(=O)N[C@H](C)c3ccco3)c(OC)cc(=O)n2CC1 11970540 ZXOZGDWKOQFCPZ-OAHLLOKOSA-N 429.517 2.762 0 50 IFAA COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccccc2F)cc1 12427972 BNBVEZIYPAEGRX-QFIPXVFZSA-N 435.455 2.973 0 50 IFAA CCOc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 13483730 RQTICJLLMIKRQW-IBGZPJMESA-N 436.505 2.715 0 50 IFAA COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(C1Cc3ccccc3C1)CC2 14536746 IJCRIWUFKOYBAG-UHFFFAOYSA-N 448.567 2.884 0 50 IFAA COCc1c(C(=O)N2CCN(C(C)C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 15066694 DWCNIYVRLKDOIC-UHFFFAOYSA-N 438.507 2.781 0 50 IFAA COC(=O)c1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(OC)cc2OC)cc1 16393420 YDVITOUPWJTMHD-LJQANCHMSA-N 441.509 2.922 0 50 IFAA CN(CCOc1ccccc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 20449155 VYQGONVCYLANDZ-NRFANRHFSA-N 433.574 2.757 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3ccc(F)c(F)c3)cc2OC)CC1 22918898 BFKRXPCNAJIDOG-HXUWFJFHSA-N 449.542 2.640 0 50 IFAA CC[C@H]1CN(C(=O)CNC(=O)c2ccc(Br)o2)CCN1Cc1ccccc1 170595195 AJNYFPKKAZQJMR-INIZCTEOSA-N 434.334 2.895 0 50 IFAA COc1ccc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 229756287 OIELMUHWJOVRFQ-SFNKJDCFSA-N 438.590 2.643 0 50 IFAA COc1cccc(CCC(=O)N[C@H]2CC[C@@H](n3cc(C(=O)NCC(C)C)nn3)CC2)c1 244794573 QPEVXQBNDQEIPU-KDURUIRLSA-N 427.549 2.905 0 50 IFAA O=C(NC1CCCC1)c1ccc(NC[C@H](c2ccccc2Cl)N2CCOCC2)nn1 468643395 PSYNCJSJEBEFIP-HXUWFJFHSA-N 429.952 3.288 0 50 IFAA CC1CCN(C(=O)COc2ccc(CN3CC[C@@]4(CO)CCCN(C)[C@@H]4C3)cc2)CC1 1704305987 YTKYENXXPISPJB-ILBGXUMGSA-N 429.605 2.603 0 50 IFAA COc1ccc([C@@H](CC(=O)NCCc2ccncc2)c2c(O)n3ccccc3nc2=O)cc1 1776111917 XKGYFCRBTBGPDY-HXUWFJFHSA-N 444.491 2.685 0 50 IFAA CCC(=O)N1CCc2ccc(N=c3nc[nH]c4[nH]c(C(=O)OC)c(Br)c34)cc21 1875333537 AIGWPPHTXFXZMN-UHFFFAOYSA-N 444.289 2.972 0 50 IFAA Cc1nc(O)cc(C(=O)N2CC[C@@H]([C@@H]3CCCN3C(=O)c3cc(O)c4ccoc4c3)C2)n1 1875361582 WBBDOIQTKKXRJL-KDOFPFPSSA-N 436.468 2.709 0 50 IFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1 945339 RPFPWJXYRLJCTE-GOSISDBHSA-N 438.436 2.519 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(C[C@H](C)c2ccccc2)CC3)cc1 12279628 ZSOZCULSQJMEMD-IBGZPJMESA-N 433.556 2.921 0 50 IFAA O=C(NCCCn1cc(C(=O)N2CCSCC2)nn1)c1ccc(Oc2ccccc2)o1 12456611 ZTSRMEVHYUMSDG-UHFFFAOYSA-N 441.513 2.673 0 50 IFAA COc1ccc(CCN2C(=O)N[C@](C)(C3CCN(Cc4nccs4)CC3)C2=O)cc1 14951541 MOLFMEKMVDDHNO-JOCHJYFZSA-N 428.558 2.917 0 50 IFAA CS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cc1 170626254 VGMBGJOLZBGJRP-UHFFFAOYSA-N 435.299 2.624 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2cc(OC)cc(OC)c2)c1 1875263083 QDYSTFNTRUJGLB-UHFFFAOYSA-N 442.559 2.844 0 50 IFAA O=C1COc2cc(NC(=O)NCCCCn3cc(Br)cn3)c(F)cc2N1 1875320840 MPHRDLTZYGJJJW-UHFFFAOYSA-N 426.246 2.718 0 50 IFAA CCN1CCN(Cc2ccccc2CNC(=O)[C@]2(C)CCN2C(=O)OC(C)(C)C)CC1 1875332295 VBGILRSUOHHTEJ-DEOSSOPVSA-N 430.593 2.840 0 50 IFAA O=C(OC[C@H]1CCCCN1C(=O)N=c1cc(-c2cccc(F)c2)o[nH]1)N1CCOCC1 2325727571 ISCUFPNZIXEBQZ-QGZVFWFLSA-N 432.452 2.758 0 50 IFAA COc1ccc(CN2CCN(c3ccccc3)C(=O)C2)cc1OC[C@@H](O)CN(C)C(C)C 11873061 ZSZVISHQZLECAT-QFIPXVFZSA-N 441.572 2.624 0 50 IFAA CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)c1=O 11910888 PRDJGQAKGYALKD-UHFFFAOYSA-N 443.935 2.756 0 50 IFAA COCCCN1C(=O)C[C@](CC(=O)N(C)C(C2CC2)C2CC2)(c2ccccc2OC)C1=O 12052788 OGFVQSCZUOUMBT-RUZDIDTESA-N 442.556 2.766 0 50 IFAA CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cnsn1)CC2 14754165 CFRMIXXDNPYQHO-UHFFFAOYSA-N 425.514 2.743 0 50 IFAA CNc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(N2CCOCC2)n1 15913897 ZMRHKMVCEJYTRU-UHFFFAOYSA-N 429.333 2.788 0 50 IFAA CC(C)c1cc(C(=O)N2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)[nH]n1 19837353 VKTYEMLYRFESKZ-RUZDIDTESA-N 449.555 2.863 0 50 IFAA O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 19839969 IZZSPNLMJVEZSB-OAQYLSRUSA-N 427.589 2.576 0 50 IFAA CCOc1ccccc1CN1CCc2nnc([C@H](CC(C)C)NC(=O)COC)n2CC1 20906258 ZCQNEANJTQXSSL-IBGZPJMESA-N 429.565 2.585 0 50 IFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)c(F)c4)ccn3n2)c1 169777066 XRLJPIUNCKBLSW-UHFFFAOYSA-N 436.443 2.749 0 50 IFAA CCCNC(=O)CCCC(=O)O[C@@H]1CCCC[C@H]1OC(=O)CCCC(=O)NCCC 252484495 FXQCBKRNTGQMIR-QZTJIDSGSA-N 426.554 2.777 0 50 IFAA O=C(NC[C@@H]1CCCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1)c1ccco1 1875252700 RWFAHXVEGOFYJK-AWEZNQCLSA-N 434.422 2.916 0 50 IFAA CC(C)(C)C(=O)N1CC[C@@H](CN=c2cc(NC[C@H]3CCN(C(=O)C(C)(C)C)C3)nc[nH]2)C1 2325736499 CGIQYAAUNYAPJR-HDICACEKSA-N 444.624 2.512 0 50 IFAA CC1(C)CCC[C@@H]1COC(=O)NCc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2 2325886900 NECDKLRCNFRWJS-AEFFLSMTSA-N 427.501 2.500 0 50 IFAA CC[C@@H]1C[C@@H](CC(=O)N=[S@@]2(=O)CCCN(C(=O)c3cc(Cl)n(C)n3)CC2)CCO1 2332238430 VABSDCZWHIDLDZ-IMMPKLGKSA-N 444.985 2.509 0 50 IFAA COCCn1c(CN2CCCC[C@@H]2COC)cnc1S(=O)(=O)CC1CCCCC1 12302349 FSEHQXBVXSGTLT-LJQANCHMSA-N 427.611 2.884 0 50 IFAA CC(C)c1ccccc1N(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 65363699 UAOBRMZDGGNTCF-UHFFFAOYSA-N 444.601 2.967 0 50 IFAA CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]12 239339087 LRHOREJRTCMJCN-VWEIPLKFSA-N 447.443 2.619 0 50 IFAA COc1ccc(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1OC 2170341 BIGPZKICJZZQME-UHFFFAOYSA-N 438.571 2.519 0 50 IFAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1 11661683 JNSLOMYUNNAVBH-IBGZPJMESA-N 425.920 2.532 0 50 IFAA CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc3c(c1)OCCO3)CCO2 12079925 XTWYUWTXHNFZKX-NRFANRHFSA-N 437.540 2.563 0 50 IFAA COC(=O)[C@@H](NC(=O)CC[C@@]1(Cc2ccc(F)c(OC)c2)CCC(=O)N1)c1ccccc1 12205470 YWRMCHURSPQZOI-UPVQGACJSA-N 442.487 2.836 0 50 IFAA CCn1ccnc1CNC(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 12299899 OWUXSMQKGXIGRY-HSZRJFAPSA-N 445.567 2.542 0 50 IFAA CSc1ccccc1OCc1cc(C(=O)N2CCN(Cc3nccn3C)CC2)no1 19608964 UIEPYLGHVHAVQS-UHFFFAOYSA-N 427.530 2.667 0 50 IFAA COc1ccc(NC(=O)CSc2nc3c(=O)[nH]cnc3n2-c2ccccc2)cc1OC 20259133 OWWRPRBHGVIERV-UHFFFAOYSA-N 437.481 2.857 0 50 IFAA Cc1nnsc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 23338694 ITRWCZAVLOXVDF-HXUWFJFHSA-N 441.601 2.823 0 50 IFAA CCOc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 35898036 QARGCPVHQDUGHN-UHFFFAOYSA-N 437.949 2.684 0 50 IFAA Cc1ccc(NC(=O)NCc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)cc1Cl 113026416 DOEVCIHTTTYVCC-SFHVURJKSA-N 440.887 2.731 0 50 IFAA in-vitro COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CCc2nnc(-c3ccc(O)cc3)n2C1 170614614 KYASXBRYNJISTQ-OAHLLOKOSA-N 438.484 2.555 0 50 IFAA O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 222353198 ZOXRJSKYKQNJNO-HUUCEWRRSA-N 435.373 2.830 0 50 IFAA COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5cccc(C)c5)CC4)c3CO2)cc1 263617037 LTVITFUKTVMPOV-QFIPXVFZSA-N 433.512 2.829 0 50 IFAA CCN(C1CCN(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1)S(C)(=O)=O 482931880 XQSHUTKBGCJJIW-KRWDZBQOSA-N 427.542 2.883 0 50 IFAA Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3nc4cccc(Cl)c4n3C)C2=O)cc1 772427799 LAJJUPOJYQTMOX-JOCHJYFZSA-N 439.903 2.619 0 50 IFAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2nccs2)cc1 780381 RSBZHOGKVJWSSD-GOSISDBHSA-N 429.523 2.906 0 50 IFAA O=C(Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2)c1ccc(F)cc1 8817112 XKUGEQDQNWKNQQ-AWEZNQCLSA-N 436.530 2.935 0 50 IFAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 9226891 YVMPTTNVINBGAI-INIZCTEOSA-N 440.525 2.598 0 50 IFAA COc1ccc(CN2C[C@@H](OCc3cccnc3)CN(C(=O)c3ccco3)CC2=O)cc1 14541527 RIQGDNKPEZXOBS-OAQYLSRUSA-N 435.480 2.753 0 50 IFAA CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3OC)cc(-n3cnnn3)c2)C1 14879670 ONEHGVJWJHKTAP-MRXNPFEDSA-N 435.484 2.753 0 50 IFAA CCn1ccc(CN(CCc2c[nH]c3ccccc23)S(=O)(=O)c2cnn(C)c2C)n1 20602511 XRCOJSKPTGFBPA-UHFFFAOYSA-N 426.546 2.860 0 50 IFAA Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)C(=O)N3CCC[C@@H]3C(=O)N4)ccc12 206251105 BKPQSPSXXZZMBL-LJQANCHMSA-N 447.447 2.676 0 50 IFAA O=C(c1cc(Br)c[nH]1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 225564240 NFBPCHCCSLNGCY-IBGZPJMESA-N 445.361 2.726 0 50 IFAA C[C@H](CNC(=O)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)c1ccccc1 245247227 SEYSCQWHGIRTND-MDASCCDHSA-N 429.567 2.900 0 50 IFAA C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)NC1CC1)c1cc(F)ccc1N1CCN(C)CC1 253433152 SRZAXRNLYUEWLQ-FFZOFVMBSA-N 428.552 2.616 0 50 IFAA O=C(c1ccc2nc[nH]c2n1)N1CC[C@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1 952895048 XUMZHBVSJJIMMG-SFHVURJKSA-N 429.362 2.749 0 50 IFAA C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 1295396874 DVXAHOCYJMPQBK-TYCQWZJGSA-N 430.476 2.792 0 50 IFAA O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 2325816947 WICJVXNHAMPPPO-WOJBJXKFSA-N 447.318 2.971 0 50 IFAA Cc1nc(CC(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cs1 11815027 FXZGBRIMTYFTIO-LJQANCHMSA-N 441.601 2.757 0 50 IFAA COCCN1C(=O)N[C@@](Cc2cccc(OC)c2)(C2CCN(CCC(C)C)CC2)C1=O 11974717 LTOAOWDHEHSSSS-DEOSSOPVSA-N 431.577 2.933 0 50 IFAA O=C(c1nn(Cc2ccccc2)c2c1CN(C1Cc3ccccc3C1)CC2)N1CCOCC1 14750531 ANIJNDDELSIYTO-UHFFFAOYSA-N 442.563 2.929 0 50 IFAA O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2C1)c1cccc(Br)c1 14751570 VZJIOSVQDKYIDD-BZSNNMDCSA-N 448.361 2.617 0 50 IFAA CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccc4c(c2)CCO4)CC3)CC1 14991842 GOPBNCURESFQAX-FQEVSTJZSA-N 427.545 2.524 0 50 IFAA O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](Cn2c(O)nc3ccccc3c2=O)CC1 253497182 SJQXXJXXLMEDFO-WFXMLNOXSA-N 449.507 2.721 0 50 IFAA CC(=O)c1c(C)cc(C)c(CN2C(=O)[C@@](C)(c3ccc(S(N)(=O)=O)cc3)N=C2O)c1C 328593454 VJWRXLDWASRILD-JOCHJYFZSA-N 443.525 2.633 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2c(OC)cccc2OC)C1 1857691336 HABLMDYFUJXICC-OHUGHZGNSA-N 445.604 2.533 0 50 IFAA CCC(CC)C(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(N)c(Cl)c2)C12CCC2 1875362408 CYKFTXWYSGZPDU-ZWKOTPCHSA-N 434.968 2.632 0 50 IFAA C=CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccnn2C)cc1 1875371311 WSSGBQPEBJJRCV-LJQANCHMSA-N 439.516 2.979 0 50 IFAA COC(=O)c1cc(CNC(=O)c2n[nH]c3c2CCC3)cc(NC(=O)Cc2ccccc2)c1 11784604 ZOAGCEYDGYLYLW-UHFFFAOYSA-N 432.480 2.796 0 50 IFAA CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3ccccc3OC)c2)CC1 23359009 OVVWXEUCAJSMTO-QHCPKHFHSA-N 427.589 2.704 0 50 IFAA O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccccc1F)[C@H]1C(=O)N(c2ccccc2F)C(=O)[C@H]31 245240521 ZAOKSCPLTUYESP-CROCCGIJSA-N 434.398 2.692 0 50 IFAA C[C@@]1(C2CCN(C(=O)Cc3cscn3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O 299781517 LLMRFOISDNEMRX-NRFANRHFSA-N 430.505 2.574 0 50 IFAA COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5([C@@H](C2)N(C)CC[C@]315)n1c2ccccc2c(=O)n14 1857795683 OFBOPIWHKAKGRH-RCQJVHMTSA-N 445.519 2.573 0 50 IFAA O=C(C1CCC(n2cc(-c3cn4ccccc4n3)nn2)CC1)N1CC[C@]2(C1)OC[C@H]1C[C@@H]12 1875357193 WMBPHZZJSDXWGB-UJDVWZRTSA-N 432.528 2.962 0 50 IFAA O=C(COc1cncc(Cl)n1)Nc1cccc(NC(=O)COc2cncc(Cl)n2)c1 2325745359 MPRKLPPNWJRZMU-UHFFFAOYSA-N 449.254 2.608 0 50 IFAA CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1OCC 9720579 OTOGXRAAFASFNE-MHWRWJLKSA-N 437.470 2.627 0 50 IFAA COc1ccc(C[C@@]2(CCC(=O)N[C@H]3CCCCNC3=O)CCC(=O)N2)c2ccccc12 11882422 QECPEPWPAMNIJF-NBGIEHNGSA-N 437.540 2.605 0 50 IFAA COc1cc(CN(C)Cc2ccc3nonc3c2)ccc1OC[C@@H](O)CN1CCCC1 14958685 DOBAPHGHVDVYOZ-IBGZPJMESA-N 426.517 2.699 0 50 IFAA Cc1nonc1N1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)CC1 23338374 WLGUSEKSYPQQBB-UHFFFAOYSA-N 443.577 2.816 0 50 IFAA COc1cccc(Cc2cc(C(=O)N3CCN(C(=O)c4ccccc4OC)CC3)on2)c1 299761026 QHRMEUUTBAIQTA-UHFFFAOYSA-N 435.480 2.881 0 50 IFAA CCn1nc(CC(C)C)cc1C(=O)N1CCO[C@H](CO)[C@H]1c1ccc(OC)c(OC)c1 1529168970 OUEOWSDHAOVNCD-FGZHOGPDSA-N 431.533 2.693 0 50 IFAA COC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 5023220 PJKOLNKWGPPYIW-LPHOPBHVSA-N 430.526 2.893 0 50 IFAA COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccc(F)c1F)CC2 14534041 AFHTXLBCXNJWPU-UHFFFAOYSA-N 444.482 2.805 0 50 IFAA COC(=O)c1ccc(CN2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)cc1 15062463 NKUHXQLROQTRSU-IBGZPJMESA-N 426.513 2.889 0 50 IFAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1OC 17095918 MRGMVCMXSPDCCQ-UHFFFAOYSA-N 428.532 2.581 0 50 IFAA O=C(CN1CCn2c(Cc3cccc(Br)c3)nnc2C1)N1CCCCCC1 225675208 IPFKXRBMTPNFCQ-UHFFFAOYSA-N 432.366 2.850 0 50 IFAA C[C@]1(c2ccc(CNC(=O)N[C@H]3c4ccccc4CC34CCOCC4)cc2)NC(=O)NC1=O 460360565 DUPMGRGZLPCZSJ-GBXCKJPGSA-N 448.523 2.635 0 50 IFAA CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O 616581263 VPZQIQAXTFVIOD-IBGZPJMESA-N 428.510 2.848 0 50 IFAA COc1ccc([C@H](CC(=O)NCCNc2ncccn2)c2cc3c(cc2O)OCO3)cc1 824654500 JODWRSWZJXPPPX-KRWDZBQOSA-N 436.468 2.670 0 50 IFAA biogenic COc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1OC 797726 OLIPJLYQHSAQOF-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA CCc1c(-c2ccccc2)n(-c2ccccc2OC)c2nc3c(c(=O)n(C)c(=O)n3C)n12 1423539 OWNXPXDQRVZDAB-UHFFFAOYSA-N 429.480 2.914 0 50 IFAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Cl)C1 2808162 NPVPEYMIIDHZDK-LLVKDONJSA-N 449.335 2.987 0 50 IFAA CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 9933868 UPCKZNZDINBZJJ-GOSISDBHSA-N 427.526 2.673 0 50 IFAA O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 12360388 JXMZDYYULHYBRH-UHFFFAOYSA-N 446.535 2.959 0 50 IFAA CN(C)S(=O)(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 12385486 ZQYGLVYMDKSRDS-UHFFFAOYSA-N 426.930 2.624 0 50 IFAA COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC[C@H](O)CN1CCCCCCC1 12750604 PFKNGVKVHKVLES-HSZRJFAPSA-N 447.620 2.755 0 50 IFAA O=C(NCCCO)c1cn([C@@H]2CCCN(CC(c3ccccc3)c3ccccc3)C2)nn1 14887029 GBNYCTDLONEONA-JOCHJYFZSA-N 433.556 2.859 0 50 IFAA O=C1N[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 170593798 DDDPLLOHRYKKSO-DAYGRLMNSA-N 426.322 2.658 0 50 IFAA C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc2ccccc2c1 225436082 VWMMRPOXJIMIBQ-GNSUPJDDSA-N 442.512 2.980 0 50 IFAA O=C(CC[C@H]1N=C(O)N(Cc2cccc(F)c2)C1=O)NC[C@@H]1CCCN2CCCC[C@H]12 252532977 FPPMXMWOWPPVBM-DFQSSKMNSA-N 430.524 2.611 0 50 IFAA Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)C2=O)cc1 253415268 STXPDPYAFAFEPZ-QTOVYKFTSA-N 445.566 2.602 0 50 IFAA Cn1cnnc1SCC(=O)N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1 299782956 JPHUXJVKLZFDCZ-UHFFFAOYSA-N 449.580 2.887 0 50 IFAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 1529119492 ILSMFNDVWLTGEA-CTNGQTDRSA-N 427.932 2.961 0 50 IFAA Cc1nc(C)c(C(=O)N2CCCNC(=O)CC[C@H](c3ccccc3)CCNC(=O)C2)s1 1875242110 NUWAFRJPFBMUIH-IBGZPJMESA-N 442.585 2.792 0 50 IFAA O=C(C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1)NCc1nc(-c2cccnc2)n[nH]1 1875264498 XHMHFZOVHKVTGQ-HXUWFJFHSA-N 442.479 2.750 0 50 IFAA COC(=O)[C@]1(NC(=O)[C@@H](N)Cc2c(F)cccc2Cl)CCCN(Cc2ccccc2)C1 1875383238 MBEPFNPIVKUMJQ-REWPJTCUSA-N 447.938 2.673 0 50 IFAA O=C1C[C@H](C(=O)NC[C@H]2CCC3(CCN(Cc4ccncc4)CC3)O2)C2(CCCCC2)O1 11783244 LBXDMBGPHVPZIY-NHCUHLMSSA-N 441.572 2.977 0 50 IFAA Cc1nnc(CCNC(=O)C2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)[nH]1 12586011 ZSPBSCZSGFJUCM-UHFFFAOYSA-N 431.544 2.634 0 50 IFAA CC(=O)c1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)[nH]n1 14531931 VSDVRJZDKVYKMY-HXUWFJFHSA-N 438.528 2.815 0 50 IFAA O=C(N[C@H](Cc1ccccc1)C(=O)O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 15746235 VELFLYBNDMTWJG-XCMFGDQWSA-N 448.431 2.591 0 50 IFAA O=C(CC1(O)CCCC1)Nc1cnn(C[C@H]2CCCCN2C(=O)CC2(O)CCCC2)c1 170611346 SXNOMWQITACSOJ-LJQANCHMSA-N 432.565 2.593 0 50 IFAA CN(CCOc1ccc(Br)cc1)S(=O)(=O)c1ccc2nc(O)cnc2c1 253630214 GKRVSXBWKYJHEL-UHFFFAOYSA-N 438.303 2.797 0 50 IFAA Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(Cc2cccs2)CC1 299785035 QFSRWBBJYQJUHK-IBGZPJMESA-N 442.585 2.940 0 50 IFAA Cc1cc(C)n(CC(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)c(=O)n1 2356156059 UCRAJSLTBNFANL-VWLOTQADSA-N 429.524 2.824 0 50 IFAA Cn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccccc1Cl 1076250 DUSSQIOPOUGDQZ-UHFFFAOYSA-N 440.920 2.901 0 50 IFAA CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)NC[C@H]2OCCc3ccccc32)c1=O 11783063 VPBWJWJKAWTRGF-HSZRJFAPSA-N 445.519 2.690 0 50 IFAA CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccncc2)CC1 13495506 QGKNDKKRMYILGS-UHFFFAOYSA-N 437.949 2.851 0 50 IFAA CC[C@H](C)CNc1cc(C(=O)N2CCCN(C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1 14732301 KQISLYCLWKXUKC-KRWDZBQOSA-N 438.638 2.999 0 50 IFAA COC(=O)c1c(OCc2ccncc2)cc(=O)n2c1CCN(Cc1ccccc1C)CC2 19839012 UCKMKHCSKLKOOX-UHFFFAOYSA-N 433.508 2.976 0 50 IFAA Cc1cc(C(=O)N(Cc2cccc(OCCN3CCOCC3)c2)Cc2ccccn2)n(C)n1 20909730 ZEVLYQSGTPAQTG-UHFFFAOYSA-N 449.555 2.677 0 50 IFAA COc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 170598371 YTYHGMANRURMIF-IRXDYDNUSA-N 437.606 2.528 0 50 IFAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCCCCc1nc2ccccc2[nH]1 206236849 RSNDGOLBVFDOEM-HXUWFJFHSA-N 433.512 2.923 0 50 IFAA COc1ccc(-c2noc([C@H](CCS(C)(=O)=O)N3C(=O)c4ccccc4C3=O)n2)cc1 225525390 WWVITMXNWBFBHK-KRWDZBQOSA-N 441.465 2.517 0 50 IFAA CN(C)S(=O)(=O)c1ccc(CNC(=O)c2nc(Br)sc2C2CC2)cc1 225704436 KTHBVNHEDAOQCB-UHFFFAOYSA-N 444.376 2.963 0 50 IFAA O=C(NCc1ccncc1)[C@H]1[C@H]2C=C[C@@]3(CN(c4cccc(C(F)(F)F)c4)C(=O)[C@H]13)O2 252346978 NUDFDUMBRMRBAI-WKRCXCSHSA-N 429.398 2.703 0 50 IFAA COc1ccc(N2C(=O)[C@@H](CCC(=O)N[C@H](c3ccccc3)c3nccn3C)N=C2O)cc1 252508952 XYSLVVZKGZWVOF-TZIWHRDSSA-N 447.495 2.744 0 50 IFAA CN(C(=O)CCNC(=O)c1cc(F)ccc1Br)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252515657 MKLVKBUBLCQRRR-JCURWCKSSA-N 427.314 2.980 0 50 IFAA O=C(C[C@@]1(c2ccccc2)CC(=O)N(CCn2ccnc2)C1=O)N1CCc2ccccc2C1 299781312 RJDHQAJCXKJWRK-SANMLTNESA-N 442.519 2.555 0 50 IFAA CN(C)S(=O)(=O)c1ccccc1CNC(=O)C1(Cc2cccc(F)c2)CCOCC1 432059822 BQLVRLSJKWMBTR-UHFFFAOYSA-N 434.533 2.732 0 50 IFAA O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)[C@H](O)[C@H](O)c1nc2ccccc2s1 779543251 WLUIXYWSJBUTOC-BMFZPTHFSA-N 426.416 2.559 0 50 IFAA CS(=O)(=O)N1CCC(c2nnc3sc(-c4ccc(Br)cc4)nn23)CC1 820288119 YLUSYMVVEYCSTC-UHFFFAOYSA-N 442.364 2.754 0 50 IFAA O=C1C[C@@H](C(=O)N2CCCN(c3nc4ccccc4s3)CC2)CN1Cc1ccccn1 1506409689 SBNQIMZWEFPCSZ-QGZVFWFLSA-N 435.553 2.779 0 50 IFAA COc1ccc(C(=O)N2CCC3(CC2)CN(Cc2cc(OC)ccn2)C(=O)CCO3)cc1 1704350285 YQZVUPTUPMEBEN-UHFFFAOYSA-N 439.512 2.523 0 50 IFAA Cc1ncc2n1C[C@@H](C(=O)NCC[C@@H]1CN(c3ncnc4n[nH]cc34)c3ccccc31)CC2 1875288215 SKSLTTKUUYGBBO-SJORKVTESA-N 442.527 2.862 0 50 IFAA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NS(=O)(=O)c2ccc(F)c3ncccc23)CC1=O 2325819991 XDCFFHNCOQOEHA-HOCLYGCPSA-N 441.484 2.789 0 50 IFAA COc1cc(C(=O)N2CCC3(CC2)OCCc2cccc(OC)c23)ccc1OCCN 2356137596 QUMPHRDTUXRELE-UHFFFAOYSA-N 426.513 2.746 0 50 IFAA COc1ccc(Cl)cc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 670205 GRIHDZUHYGYWRY-UHFFFAOYSA-N 428.894 2.771 0 50 IFAA Cc1nnc(NC(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)s1 8917013 IVZQUWCWXYFPOQ-UHFFFAOYSA-N 427.870 2.655 0 50 IFAA CCS(=O)(=O)c1ncc(CN2CCC[C@H](COc3ccc(F)cc3)C2)n1CCOC 12299711 VCPMGSFCPXAIBF-KRWDZBQOSA-N 439.553 2.753 0 50 IFAA COc1cc(CNCCc2cccc(C)n2)ccc1OC[C@H](O)CN1CCSCC1 12305557 KFXRSALAIUALFZ-OAQYLSRUSA-N 431.602 2.519 0 50 IFAA CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)CCC(=O)N(C)C)O3)n1 14961922 ASYCXKKYZXHGNJ-CQSZACIVSA-N 434.949 2.807 0 50 IFAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Br)s1 16948860 FGLPPEJNDKWGHU-FHIRATQRSA-N 433.320 2.677 0 50 IFAA O=C(C[C@H]1N=C(O)N(c2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 252490973 LGUMZPWQVTVXJV-GOSISDBHSA-N 427.888 2.870 0 50 IFAA Cc1cc(=O)c(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)nn1-c1ccccc1C(F)(F)F 1875264685 YAMMCFNDYRNTCS-OAQYLSRUSA-N 448.445 2.644 0 50 IFAA COc1ccc(Br)c([C@@H](CO)N(C)S(=O)(=O)c2c(O)cccc2OC)c1 1875322894 MKCCWFLXHBHZNP-CQSZACIVSA-N 446.319 2.526 0 50 IFAA OC[C@@H](Cc1ccc(I)cc1)N=c1ccnc(-c2cccc(O)c2)[nH]1 2325839977 KUSSNVCSHIKYLG-MRXNPFEDSA-N 447.276 2.891 0 50 IFAA CC1(C)Cc2ccccc2N1C(=O)Nc1ccc2c(c1)CN([C@H]1CCC(=O)NC1=O)C2=O 2325901378 BUINFQOJGHOVOH-IBGZPJMESA-N 432.480 2.821 0 50 IFAA COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccn(C)c(=O)c4)C3)[C@@H]3CCCCN23)c1 2356154319 QLRUENMXFXBHST-KJBBBAAKSA-N 435.568 2.952 0 50 IFAA COc1ccc([C@H]2Sc3ccccc3NC(=O)[C@H]2OC(=O)CN2CCN(C)CC2)cc1 638697 OZMYBGOTPNDMQV-FCHUYYIVSA-N 441.553 2.640 0 50 IFAA CC[C@H](Sc1nnc(N)s1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)OC 2876785 LJAWLFODFCTBQI-STQMWFEESA-N 426.589 2.582 0 50 IFAA O=C(Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O)NCc1cccc(Cl)c1 8599338 LRLRWKDMNQKHDT-UHFFFAOYSA-N 437.931 2.540 0 50 IFAA COc1cccc(OC[C@H](O)CNC(=O)c2cn(Cc3cccc4ccccc34)nn2)c1 12746202 FMMZXEYHFROHIH-LJQANCHMSA-N 432.480 2.658 0 50 IFAA COc1ccc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)c1 19608257 AXUIWFRDZVECQV-UHFFFAOYSA-N 430.501 2.688 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3cccc(C)c3)cc2OC)CC1 20907580 BEZLZIHSFXXBJU-HSZRJFAPSA-N 427.589 2.671 0 50 IFAA O=C(NC[C@H]1CCCO1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 226615510 ZOXRJSKYKQNJNO-LSDHHAIUSA-N 435.373 2.830 0 50 IFAA Cc1cc(-c2cc(S(=O)(=O)N[C@H]3CCCN(C(=O)c4ccco4)C3)c(C)s2)n[nH]1 825262038 BHCFDPOHAOAGTF-AWEZNQCLSA-N 434.543 2.931 0 50 IFAA C[C@H]1CCc2nc(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc3ccccc3)sc2C1 1318121775 XFINIKPWQULEDI-BBRMVZONSA-N 430.530 2.767 0 50 IFAA O=C(CCc1cnccn1)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1)C(=O)CCO2 1857727360 PDYKTLRQZFDZSN-UHFFFAOYSA-N 442.947 2.873 0 50 IFAA CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 1853205 VXFJYXUZANRPDJ-WTNASJBWSA-N 430.545 2.773 0 50 IFAA fda Cc1c(-n2cc(C(=O)O)c(=O)c3cc(F)c(F)c(F)c32)c(=O)n(-c2ccccc2)n1C 9335102 YBGHSYRUXBLMBX-UHFFFAOYSA-N 429.354 2.904 0 50 IFAA Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1ccc(F)cc1F)CC2 11971882 LKDXZCRDZQEJQG-UKINESCASA-N 430.455 2.957 0 50 IFAA CC[C@@H](C)CC(=O)N1CCC([C@]2(Cc3cccc(F)c3)NC(=O)N(CCOC)C2=O)CC1 12099209 QYEIOXKECANWFI-OSPHWJPCSA-N 447.551 2.980 0 50 IFAA CC(=O)Nc1ccc(OC(=O)CN2C(=O)CN(c3ccc(Br)cc3)C2=O)cc1 12379675 KORVHQNVQZMFGW-UHFFFAOYSA-N 446.257 2.782 0 50 IFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 12412560 KMVRJCZGOYFDCE-LJQANCHMSA-N 430.482 2.954 0 50 IFAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCCc2ccccc2C)c1 12714514 YRIKCBZFGBBPHC-QHCPKHFHSA-N 428.573 2.532 0 50 IFAA COC(=O)c1ccc(CN2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)cc1 15062464 NKUHXQLROQTRSU-LJQANCHMSA-N 426.513 2.889 0 50 IFAA O=C(c1coc(CN2CCN(c3ncccn3)CC2)n1)N1CC[C@H](c2ccc(F)cc2)C1 15074816 WBKDWPPXMRMFHM-SFHVURJKSA-N 436.491 2.556 0 50 IFAA CS(=O)(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccncc3)cc2Cl)CC1 15079119 RAUIEWMLJXZYIJ-UHFFFAOYSA-N 437.949 2.510 0 50 IFAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2ccc3[nH]c(C)cc3c2)c(F)c1 20905577 AEKMDDDJBVOBMH-QFIPXVFZSA-N 438.503 2.631 0 50 IFAA COc1cc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c(C)cc1C 21794663 LQTMGFPLUQLFCU-UHFFFAOYSA-N 445.589 2.522 0 50 IFAA C[C@@H](c1nnnn1-c1ccccc1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 170593424 XFNQGVXODBOCNI-REWPJTCUSA-N 445.571 2.532 0 50 IFAA C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C 253417220 NWIYNSDJAWCBFM-RDJZCZTQSA-N 440.562 2.636 0 50 IFAA NC(=O)c1cc(CNC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)on1 466460695 DNOXTOSGBHRLNC-KRWDZBQOSA-N 426.860 2.605 0 50 IFAA CCc1cc(N2CCC(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(C)cc4)C3)CC2)ncn1 480147023 UXBQMVYDMSCNIV-HXUWFJFHSA-N 435.572 2.985 0 50 IFAA O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1857736370 QWCXNMPMOUJCRA-FUHIMQAGSA-N 427.888 2.579 0 50 IFAA COc1ccc(C[S@](=O)Cc2c(CO)cnc(C)c2O)c(Br)c1OC 1875322899 MPNBDOVSHADABI-VWLOTQADSA-N 430.320 2.817 0 50 IFAA CCc1cccc2ccc(C(=O)Nc3ccc4c(c3)C(=O)N([C@H]3CCC(=O)NC3=O)C4)nc12 2325896358 WYVDAPASAMWLEK-FQEVSTJZSA-N 442.475 2.811 0 50 IFAA C[C@H]1CN(C(=O)Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)Cc2ccccc21 2325898107 SJAATLJGYKUXBT-VBKZILBWSA-N 432.480 2.599 0 50 IFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 784030 FJAFQJWBVRIPTJ-UHFFFAOYSA-N 432.498 2.506 0 50 IFAA CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)OC 5706732 YAMQCWSSFXUFGP-HBGVWJBISA-N 442.512 2.934 0 50 IFAA CCOCCCNC(=O)[C@H]1CC(=O)c2sc(NC(=O)c3ccc(OC)cc3)nc2C1 11966000 IHSDGQAVAWSAJX-CQSZACIVSA-N 431.514 2.692 0 50 IFAA CCOc1ccc2nc(N3CCC(C(=O)NCCCN4CCCC4=O)CC3)nc(C)c2c1 12150113 CMBJVAVNIUVRKA-UHFFFAOYSA-N 439.560 2.682 0 50 IFAA CCOC(=O)[C@H]1CCCN(C2CCN(Cc3nc(COc4ccccc4)no3)CC2)C1 12432418 BXFVTMLEAUOOBB-SFHVURJKSA-N 428.533 2.888 0 50 IFAA O=C(CC[C@H]1CCCN(C(=O)COc2ccccc2)C1)N1CCN(c2ccccn2)CC1 12578155 VTIRNIYICUEDBU-OAQYLSRUSA-N 436.556 2.828 0 50 IFAA O=C1NCCN(Cc2ccc(-c3ccccc3)cc2)[C@H]1CC(=O)N1CCN(CC2CC2)CC1 12705549 LOIHMLWXMWLAST-VWLOTQADSA-N 446.595 2.598 0 50 IFAA CC(C)CN1C[C@@H](OCc2ccccn2)CN(C(=O)c2coc3c2C(=O)CCC3)CC1=O 14534636 GRKHOISGYFYPFG-GOSISDBHSA-N 439.512 2.719 0 50 IFAA COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1)CC2 14882746 BQRQKMYVTNXGHL-AWEZNQCLSA-N 425.455 2.569 0 50 IFAA CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 15879977 HSNKMAMXIQQYQA-UHFFFAOYSA-N 428.938 2.540 0 50 IFAA CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(OCC(N)=O)cc2)NC(=O)N1 16474798 CEESLDSELCRRGU-GOSISDBHSA-N 448.401 2.836 0 50 IFAA CC(C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)O)CC2)cc1 17100614 KQQPTGAMJWINKN-UXHICEINSA-N 436.574 2.609 0 50 IFAA COc1ccc(CN2CCC(N3CCN(CCO)CC3)CC2)cc1OCc1ccccc1 19868434 XHPFBWVICKABNV-UHFFFAOYSA-N 439.600 2.849 0 50 IFAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN([C@H](C)CSC)CC2 20916961 ZTIAEWOAHYJJNT-QGZVFWFLSA-N 435.590 2.692 0 50 IFAA COc1ccccc1N1CCN(C(=O)CN2C(=O)C(c3ccccc3)=NC23CCCC3)CC1 169765507 LTJQSTHQVZBECJ-UHFFFAOYSA-N 446.551 2.946 0 50 IFAA COC(=O)c1cccc2c1CCCN2C(=O)N1CCC[C@@H](C(=O)NCC(F)(F)F)C1 225502553 CQCRONJIBYLAIG-CYBMUJFWSA-N 427.423 2.736 0 50 IFAA COC(=O)c1cn(CCC(=O)NC(c2ccccc2)c2ccccc2)cc2c(=O)[nH]nc1-2 263587360 GAIKGXIKWQWPJQ-UHFFFAOYSA-N 430.464 2.759 0 50 IFAA Cn1ccnc1-c1cccc(NS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)c1 328594488 NWDULZWLZKICRU-UHFFFAOYSA-N 425.919 2.945 0 50 IFAA CC(=O)Nc1ccccc1SCC(=O)N1CC[C@@H](O)[C@@](CO)(Cc2ccccc2)C1 1857721684 BCWRMMHAPSHNPM-GGAORHGYSA-N 428.554 2.552 0 50 IFAA O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)N[C@@H]1CCN(Cc2ccccc2)C1=O 1875257138 WMLRLHZMGOLPJF-DHIUTWEWSA-N 448.567 2.711 0 50 IFAA COCCN1CCC[C@@]2(CCCN2S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)C1=O 2356136802 KOAWVYKAECKSSF-JOCHJYFZSA-N 447.557 2.751 0 50 IFAA Cc1cccc(OCC(=O)Nc2nnc(S(=O)(=O)N3CCc4ccccc43)s2)c1 8588027 RMPOLIVOXVWPNQ-UHFFFAOYSA-N 430.511 2.615 0 50 IFAA CCC[C@]1(C2CCN(C(=O)c3ccoc3)CC2)NC(=O)N(CC[C@@H]2CCCN2C)C1=O 15007328 UYAIGIUKVULALP-WMZHIEFXSA-N 430.549 2.707 0 50 IFAA O=C(NCC1(c2ccccc2)CCCCC1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 20272544 SESMMODEEUXTID-QFIPXVFZSA-N 441.616 2.966 0 50 IFAA O=C([C@H]1CC(Cc2cccc(F)c2)=NO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20293620 DYQVVHAFWFBLDZ-JOCHJYFZSA-N 425.460 2.586 0 50 IFAA Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1S(=O)(=O)N1CCCC1 65363844 IEPHSSXNGYQPBH-UHFFFAOYSA-N 442.585 2.784 0 50 IFAA CCc1nc(-c2c3n(c(=O)n(CC(=O)Nc4cccc(Cl)c4C)c2=O)CCCC3)no1 169763860 VHEDNBAZSSTINZ-UHFFFAOYSA-N 443.891 2.559 0 50 IFAA CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@H]2C(=O)O 239433989 YWBPPUGIRVBOCM-YAKVFXAGSA-N 426.513 2.753 0 50 IFAA COc1ccc(NC(=O)c2cn(C)nc2[C@H]2CCOC2)c(I)c1 487636541 GHRLXBZAJPVPQR-JTQLQIEISA-N 427.242 2.790 0 50 IFAA CCC(=O)N1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2ccccc2C)C1 1857714455 VFGSIJMVOKSOLY-OTNCWRBYSA-N 427.589 2.741 0 50 IFAA O=C(c1ccc2nnnn2c1)N1C[C@H](c2ccc3c(c2)OCO3)O[C@H](c2ccccc2)C1 1857737232 CEZAGFLWZYJADD-LEWJYISDSA-N 429.436 2.808 0 50 IFAA O=C(OCc1ccccc1)N1CCC[C@@H](CS(=O)(=O)N[C@H]2CC[C@H](C(=O)O)CC2)C1 1875337107 TVYBPKLQGKVRAB-GUDVDZBRSA-N 438.546 2.598 0 50 IFAA COC(=O)c1ccc(-c2nnc(CN3CCN(Cc4ccccc4Cl)CC3)o2)n1C 1875355645 CPOGRFPBLBCJGB-UHFFFAOYSA-N 429.908 2.833 0 50 IFAA CC[C@]1(C)Cc2c(sc3nnn(CC(=O)Nc4ccc(OC)cc4OC)c(=O)c23)CO1 1428212 ZAGGYYNJGRAKLL-OAQYLSRUSA-N 444.513 2.750 0 50 IFAA Cc1cccc(C)c1OC[C@H](O)CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1 2204320 VDRAXOJTWGVSPU-LJQANCHMSA-N 446.569 2.648 0 50 IFAA Cc1ncc2c(c1CNC(=O)CN1CCCCC1)CCN(C(=O)c1c(F)cccc1F)C2 11787711 KIKQYNBLZGKTLM-UHFFFAOYSA-N 442.510 2.969 0 50 IFAA COc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccc(OC)c4)n3CC2)c1 12283340 AWRQAAITSNCDNS-QGZVFWFLSA-N 435.528 2.845 0 50 IFAA CCCN1CCN(C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(CC)C2=O)CC1 19745510 FFMKRDUDFFCVFW-OAQYLSRUSA-N 439.478 2.666 0 50 IFAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1 59759597 BZOKNSWEUBCUBW-SFHVURJKSA-N 430.549 2.708 0 50 IFAA Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 67612889 QTUTZBBPZAWZJM-UHFFFAOYSA-N 428.493 2.574 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C[C@@]2(C)C[C@H]1CC(C)(C)C2 139542509 DWBZTGOYYPEODO-JPYJTQIMSA-N 449.617 2.855 0 50 IFAA CCOC(=O)[C@H](NCC(=O)Nc1cc(C(=O)OC)ccc1C)c1ccc(OC)c(F)c1 170599684 DAMAIXFJXVQWND-HXUWFJFHSA-N 432.448 2.762 0 50 IFAA CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)c1 225534090 IIXWIJJCOYITNU-UHFFFAOYSA-N 443.499 2.920 0 50 IFAA COCCn1c(COc2ccc(Br)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 241965494 UTHZKWNJENFJLR-OKILXGFUSA-N 425.327 2.880 0 50 IFAA CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)CC2)cc1 245240063 KVCADAZCZCTMCC-FMWKFLBASA-N 446.569 2.556 0 50 IFAA O=C(c1nnn2cc(-c3ccc(Cl)cc3)nc(O)c12)N1CCN(c2ccccn2)CC1 263619082 WUNKQKLYXLJPKT-UHFFFAOYSA-N 435.875 2.508 0 50 IFAA O=C(NC[C@@H](O)c1ccc2ccccc2c1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 731827612 FNSIAEMPPYISDB-XPWALMASSA-N 434.492 2.761 0 50 IFAA COc1cc(-c2onc(N(C)C)c2C(=O)N2CCC(N3CCCC3=O)CC2)ccc1F 1704314187 RRACWGJXODGVOY-UHFFFAOYSA-N 430.480 2.782 0 50 IFAA O=C(Cc1ccccc1)N1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 1857711781 MISBZJBCDALBGG-QFIPXVFZSA-N 426.488 2.666 0 50 IFAA CCOc1ccc2nc(N3C[C@H](C(=O)N4CCc5nc(C)[nH]c5C4)CC3=O)sc2c1 1857726875 HHNYYWBICOCQGJ-CYBMUJFWSA-N 425.514 2.664 0 50 IFAA O=C(c1cncs1)N1CCC(Cc2cn(CCc3ccccc3)nn2)(C(=O)O)CC1 1875326286 FEUPURMXPGNFLQ-UHFFFAOYSA-N 425.514 2.527 0 50 IFAA CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CNC(=O)[C@@H]1CCOC1)c1ccc2ccccc2c1 1875358158 LOWDPWDFJWECGS-YYLLSARXSA-N 439.556 2.701 0 50 IFAA CCS(=O)(=O)Nc1ccc(-c2ccc(NS(=O)(=O)CC)c(OC)c2)cc1OC 1116315 WCNQIIHWNXOJQB-UHFFFAOYSA-N 428.532 2.894 0 50 IFAA COc1ccc(OC)c([C@@H]2OCCn3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1 9058931 FDFIXIFCBHPQCA-QHCPKHFHSA-N 447.491 2.843 0 50 IFAA COc1ccc(CNCc2cccc(Cl)c2)c(OC[C@H](O)CN2CCN(C)CC2)c1 20905453 LZIXFHAYWRIEMM-OAQYLSRUSA-N 433.980 2.626 0 50 IFAA COc1ccc(C(NC(=O)c2cnc(-c3cccnn3)[nH]c2=O)c2ccc(OC)cc2)cc1 143933089 WXLPERVDMILVIF-UHFFFAOYSA-N 443.463 2.764 0 50 IFAA O=C(NCc1ccccn1)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 169774480 DXUWLRVVMKBNJG-JOCHJYFZSA-N 445.523 2.718 0 50 IFAA COc1ccc(CNC(=O)CN2C(=O)N[C@H](c3ccccc3Cl)C3=C2COC3=O)cc1 169780812 UOXCFBRFTTYCIZ-HXUWFJFHSA-N 441.871 2.542 0 50 IFAA CC[C@H](C)[C@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 252484646 GCNJGALYGGLTRY-OWQGQXMQSA-N 439.965 2.700 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC1)OCC2 1704312207 FFDVFJRLGAQMBS-GOSISDBHSA-N 442.556 2.885 0 50 IFAA C[C@@H](O)c1cn(CC(=O)Nc2ccc(Cc3nnc4ccc(C(F)(F)F)cn34)cc2)nn1 2325740742 RYVHXDQOEOCGDW-GFCCVEGCSA-N 445.405 2.622 0 50 IFAA Cc1ccc(F)cc1CNC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1 12092965 IAHCWGGWDNKAJX-UHFFFAOYSA-N 449.548 2.714 0 50 IFAA O=C1CC[C@@H](CN(Cc2ccccc2)C(=O)c2cc(Cc3ccc4c(c3)OCO4)no2)N1 12191008 RORVGZDFHZNCTC-SFHVURJKSA-N 433.464 2.915 0 50 IFAA CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1ccc(C(=O)OC)cc1)CCO2 12453095 JELYRQXUOARWKS-QFIPXVFZSA-N 437.540 2.578 0 50 IFAA COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(C(=O)c2occc2C)C3)cc1 14534989 YSGQWAJDEZDKMV-UHFFFAOYSA-N 436.512 2.936 0 50 IFAA CC(C)(NC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc1)c1ccccc1 408521290 OLJWKWGXLBXANO-QTBWBUICSA-N 440.565 2.742 0 50 IFAA Cc1ccc(-c2cc(C(=O)N[C@H]3C4CN5CCN(C4)CC3(c3ccccc3)C5)n[nH]2)cc1 670458625 FDYNUICYLLLGJG-REXMIWGRSA-N 427.552 2.683 0 50 IFAA O=C(COc1cc(Cl)cc(Cl)c1)N1C[C@@H](O)[C@H](NC(=O)[C@@]23CCCC[C@@H]2C3)C1 2325832786 QUKYGQYPWRRBKA-QQRWZLOUSA-N 427.328 2.640 0 50 IFAA COc1cc(C(=O)N[C@@H](C)C(=O)Nc2ncc(C[C@H]3CCOC3)s2)cc(OC)c1OC 2325854764 SYIQHEFHJNMGDY-QWHCGFSZSA-N 449.529 2.505 0 50 IFAA O=C(NCCc1cnccn1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 12020621 YJPGHNAVEZHMHD-UHFFFAOYSA-N 428.540 2.998 0 50 IFAA CCS(=O)(=O)c1ncc(CN2CCC[C@@H](COc3cccc(F)c3)C2)n1CCOC 12446236 SRKZRDHDZATGHF-QGZVFWFLSA-N 439.553 2.753 0 50 IFAA CN(Cc1cnccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 12588067 YYYWLZNKBPKZJQ-QHCPKHFHSA-N 445.523 2.618 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCc1ccccn1 19842272 YLZKYDHVVDCMAD-QHCPKHFHSA-N 430.508 2.881 0 50 IFAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 38528103 IQIQHZCTMNDGRT-UHFFFAOYSA-N 436.438 2.686 0 50 IFAA COC(=O)c1n[nH]cc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 476829870 XIUDYBXAMVHXNA-UHFFFAOYSA-N 444.469 2.566 0 50 IFAA O=C(NCCCN(Cc1ccccc1)C(=O)Cc1csnn1)c1csc2cncn12 1875354531 HOMSPMYNUYTATR-UHFFFAOYSA-N 440.554 2.639 0 50 IFAA CCOC(=O)O[C@H](C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21 1842686 LSNWBKACGXCGAJ-CYBMUJFWSA-N 447.469 2.559 0 50 IFAA biogenic,world CC1=NS(=O)(=O)N(Cc2ccccc2)C=C1C(=O)OCc1nc(-c2cccs2)no1 169755110 VYKDMMGMHYINQK-UHFFFAOYSA-N 444.494 2.947 0 50 IFAA Cn1nccc1N1CCC[C@@H](NC(=O)c2oc3ccccc3c2CSc2nnc[nH]2)C1 225566146 OJAAVZPFKFKBJP-CQSZACIVSA-N 437.529 2.976 0 50 IFAA COc1cccc([C@H]2CCN(Cc3ccc(OCC(=O)N4CCOCC4)cc3)C2)c1OC 952962523 CEWBYPDJAGBPIU-FQEVSTJZSA-N 440.540 2.931 0 50 IFAA OCCn1cc(-c2nc(-c3ccc4nc[nH]c4c3)nn2[C@H]2CCCc3ccccc32)nn1 1875347984 DPQKGHXWDHQBJX-NRFANRHFSA-N 426.484 2.998 0 50 IFAA O=C(N[C@@H]1Cc2ccc(Br)cc2NC1=O)[C@@H](O)Cc1c(F)cccc1Cl 2325860682 PQPXVHSTZIXHFM-CVEARBPZSA-N 441.684 2.825 0 50 IFAA CCOC(=O)c1ccc(NC(=S)NC(=O)c2c(Br)c(C)nn2C)cc1 2801759 CFZPXLPZCOWHDB-UHFFFAOYSA-N 425.308 2.795 0 50 IFAA CCCCCCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 6149671 LDPOPFHOBQLKKA-UHFFFAOYSA-N 429.546 2.745 0 50 IFAA O=C(NCCCO)c1cn([C@@H]2CCCN(Cc3ccc4c(c3)Cc3ccccc3-4)C2)nn1 12038615 UCGQLWIHNZNONM-OAQYLSRUSA-N 431.540 2.799 0 50 IFAA O=C(C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1)NCCc1cccnc1 12192525 AKDVISCDHQLERE-XMMPIXPASA-N 444.535 2.923 0 50 IFAA CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)NC[C@@H]2CCCN(C)C2)c1=O 14965986 NHTQZQKYVFHVPI-IBGZPJMESA-N 430.593 2.638 0 50 IFAA COc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCN2CCOCC2)cc1 19707169 FLGWHHBJZHIROP-PGMHBOJBSA-N 443.931 2.568 0 50 IFAA CCCS(=O)(=O)c1ncc(CN2CCN(C3CCCCC3)CC2)n1C[C@@H]1CCCO1 19787905 XSXHTIHHQMVHJY-NRFANRHFSA-N 438.638 2.696 0 50 IFAA CCOc1cc(C2C(C(=O)OC)=CNC=C2C(=O)OC)cc(Br)c1OC 19799664 NGXJZSWXTLTXAW-UHFFFAOYSA-N 426.263 2.657 0 50 IFAA COc1ccc(CNCCSc2ncn[nH]2)cc1OC[C@@H](O)CN1CCCCCCC1 20138201 VOWQUOKABSGWTD-IBGZPJMESA-N 449.621 2.701 0 50 IFAA O=C(c1ccc(=O)[nH]c1)N(CC1CCN(C2Cc3ccccc3C2)CC1)C[C@H]1CCCO1 20209839 UXEBKNWKZPJCAA-XMMPIXPASA-N 435.568 2.876 0 50 IFAA Cc1cccc(CN(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 22298763 YGWXTVHJCBVRDA-UHFFFAOYSA-N 435.977 2.613 0 50 IFAA COc1cccc(OC(=O)C[C@@H]2CS(=O)(=O)C[C@H]2CC(=O)Oc2cccc(OC)c2)c1 22341551 CYGXDVCZKDLEOB-HZPDHXFCSA-N 448.493 2.656 0 50 IFAA CC[C@@H]1CCCCN1C(=O)CN1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 225843367 QSKRQRRVLVWEHO-HXUWFJFHSA-N 444.601 2.722 0 50 IFAA C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 239415260 UBRFORVCBVBPCG-XLMAVXFVSA-N 441.619 2.524 0 50 IFAA CCOc1ccc2nc(N3CCC[C@H](C(=O)N4CCCN(C(C)=O)CC4)C3)nc(C)c2c1 299784247 HMAKAFPATWOYMX-IBGZPJMESA-N 439.560 2.634 0 50 IFAA COc1cc2c(cc1O)CCN(C(=O)CCN1C(=O)C[C@](C)(c3ccccc3)C1=O)[C@@H]2C 888105510 GLRFFBQQMQAVCY-PUAOIOHZSA-N 436.508 2.953 0 50 IFAA C[C@H](c1ccccc1)N1C[C@H](c2nc(CNS(=O)(=O)c3ccc(F)cc3)no2)CC1=O 2325762725 MGNWFRCVCZHMJX-GDBMZVCRSA-N 444.488 2.764 0 50 IFAA CCCN1C[C@H](C(=O)N=[S@@](C)(=O)C2CCN(C(=O)C[C@H]3CC=CCC3)CC2)CC1=O 2332238460 AFNJVEPTVMLKJL-LHQHVEIWSA-N 437.606 2.607 0 50 IFAA Cc1cc(F)cc(-n2cc(C(=O)N3CCC([S@](C)(=O)=NC(=O)[C@H]4C[C@H]4C)CC3)nn2)c1 2332239001 TVLVHMQOWSFGQT-GYWMCOKGSA-N 447.536 2.600 0 50 IFAA CC(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 2859075 QKWCINLKZOOXFS-LLVKDONJSA-N 425.304 2.957 0 50 IFAA Cc1nn(C)cc1CN1CC(=O)N(CCc2ccccc2)C[C@@H](OCc2ccncc2)C1 14741096 OQJPDDORBGZVJC-DEOSSOPVSA-N 433.556 2.596 0 50 IFAA COc1cccc(OC[C@H](O)CN2C(=O)CC[C@@H]2CCNCCOc2ccc(F)cc2)c1 15007729 UOJSKHSLEPVZDC-WOJBJXKFSA-N 446.519 2.624 0 50 IFAA CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)NCCc1ccccc1 16361342 NWBAZLCBKAEZKT-UHFFFAOYSA-N 443.598 2.783 0 50 IFAA Cn1c(O)nc2ncc(-c3cccc(C(=O)NC[C@]4(O)[C@H]5[C@H]6C[C@@H]7[C@H]8[C@@H](C[C@H]75)[C@@H]4[C@@H]86)c3)cc21 427993099 CWJGKPOCHPDLQT-CHHIXTFQSA-N 442.519 2.580 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)NCc2cc(OC)ccc2OC)C1 1857687811 GIFRTDCYKGFGSU-TYBLODHISA-N 445.604 2.533 0 50 IFAA O=C(NC[C@H]1CCCCN1)c1sccc1S(=O)(=O)N1CCc2cccc(F)c2C1 1875305656 WSYDJVIOVCDLDO-OAHLLOKOSA-N 437.562 2.506 0 50 IFAA COC(=O)CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1 1875313321 ORHCWFISKNIUBU-UHFFFAOYSA-N 446.510 2.697 0 50 IFAA CC(C)(NC(=O)c1cc2ccccc2s1)[C@H]1CCCN1C(=O)CN1C(=O)CCC1=O 1875322655 ZRHNWEHIBDMWID-QGZVFWFLSA-N 427.526 2.550 0 50 IFAA CC(C)CN(C(=O)[C@@H]1C[C@H]1C(=O)N(CC(C)C)C1CCN(C)CC1)C1CCN(C)CC1 2325737722 WSPHUEUVBYCMMM-DHIUTWEWSA-N 434.669 2.780 0 50 IFAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)c1C 913128 LFIIBTIWSFRCBR-SFHVURJKSA-N 429.454 2.871 0 50 IFAA CCN1C(=O)C[C@@](CC(=O)N2CCN(c3ccc(F)cc3)CC2)(c2ccccc2C)C1=O 11838586 GSIHVASJOALWNS-VWLOTQADSA-N 437.515 2.890 0 50 IFAA COc1cc(CN2CCOc3ccc([C@@](C)(O)CN(C)C)cc3C2)cc(OC)c1OC 12021923 CPCFMNKKQAKTEK-DEOSSOPVSA-N 430.545 2.876 0 50 IFAA O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N2C1 14743194 BYPJDEMHOBDYQU-KSZLIROESA-N 446.429 2.538 0 50 IFAA COc1cc(CN2CC(=O)N(CC(C)C)C[C@H](OCc3cccnc3)C2)cc2c1OCO2 14747007 HSDKCNHRMOOHEI-HXUWFJFHSA-N 441.528 2.705 0 50 IFAA Oc1c(I)cc(I)nc1Br 43827437 NMUVKBWSRKKBFO-UHFFFAOYSA-N 425.789 2.759 0 50 IFAA in-vitro CC(C)OC(=O)c1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 169296151 XBGRXJILLRDHNG-TVFCKZIOSA-N 433.457 2.634 0 50 IFAA CC(C)(C)OC(=O)N1CC[C@H](CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 170639670 JAUPRGDLZNQHMI-MRXNPFEDSA-N 443.997 2.903 0 50 IFAA CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1nc2ccccc2[nH]1 888088497 CFAOCNYTPNVXRK-SZNDQCEHSA-N 434.500 2.762 0 50 IFAA COc1ccc(CN2CC[C@H](N3CCN(CCc4ccccc4)CC3)[C@@H](O)C2)c(F)c1 1614377277 LICCOPNVBHLYRO-DQEYMECFSA-N 427.564 2.630 0 50 IFAA C[C@H](NC(=O)CONC(=N)c1cn(Cc2ccccc2)nn1)C12CC3CC(CC(C3)C1)C2 1875258924 RGTFDTLPEXQJPV-QNHAZURESA-N 436.560 2.894 0 50 IFAA O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CC[C@@H](OCC2CC2)C1 1875301617 NCSRORSRPUIXSO-IAGOWNOFSA-N 427.423 2.901 0 50 IFAA CC(C)C1CCC(c2cn(-c3ccc4c(c3)C(=O)N([C@H]3CCC(=O)NC3=O)C4)nn2)CC1 1875355347 HMWBHJZRWAHROK-BUNACBEFSA-N 435.528 2.958 0 50 IFAA CC(C)c1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccccc2)cc1 785374 ABAIQZFDOUAIQK-UHFFFAOYSA-N 443.569 2.729 0 50 IFAA COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)cc1OC 839922 INBOVPNSEKYQEH-SFHVURJKSA-N 448.541 2.503 0 50 IFAA CCOC(=O)c1cc(CC)sc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 1114597 ZPUZOWGZNSKJSB-UHFFFAOYSA-N 436.511 2.661 0 50 IFAA Cc1ccc(CN(CC(=O)N2CCOCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 2847279 HCMBNOBEWJCWEL-UHFFFAOYSA-N 430.570 2.970 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)O)c1cccc(Br)c1 6161668 LSBUUPAZSDBIJD-UHFFFAOYSA-N 427.276 2.552 0 50 IFAA COC(=O)c1cc(CNC(=O)Cc2cccs2)cc(NC(=O)c2cc(C)nn2C)c1 12244764 OWSXPAGAEMTHGI-UHFFFAOYSA-N 426.498 2.688 0 50 IFAA CNC(=O)c1cn(CCC(C)C)cc(C(=O)N2CCOc3ccc(Cl)cc3C2)c1=O 12278734 KVMQMKAAVOWANF-UHFFFAOYSA-N 431.920 2.942 0 50 IFAA CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1nc3ccccc3n1C)CC2 14747684 ZCNCZFQAOWQVFD-UHFFFAOYSA-N 432.528 2.787 0 50 IFAA CC[C@@H](C)C(=O)NCc1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)CC2 14963806 VESMDOZEWQEYCT-OAHLLOKOSA-N 440.573 2.568 0 50 IFAA COC(=O)[C@@H](NC(=O)c1sc2ncnc(NCCN3CCCCC3)c2c1C)C(C)C 14988743 PNDMFCPJKQVCOB-INIZCTEOSA-N 433.578 2.825 0 50 IFAA O=C1CCCN1CC(=O)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 15062283 SESJKFBIOSIQFX-NRFANRHFSA-N 431.552 2.668 0 50 IFAA CC1(C)O[C@H]2[C@H](COC(=O)c3ccccc3)OCO[C@@H](COC(=O)c3ccccc3)[C@H]2O1 17000822 PWLCYBVEONJDMJ-XSDIEEQYSA-N 442.464 2.962 0 50 IFAA CCCCOC(=O)c1ccc(NC(=O)CS(=O)(=O)CC(=O)Nc2ccccc2)cc1 22130727 XQJZVABLZNXFKM-UHFFFAOYSA-N 432.498 2.636 0 50 IFAA O=C(O)c1ccccc1C(=O)N(CCS(=O)(=O)Nc1ccccc1)Cc1cccnc1 66324285 UQLQZJMVMDHRHS-UHFFFAOYSA-N 439.493 2.864 0 50 IFAA Cc1nc(O)cc(C(=O)N2CC[C@@H]([C@H]3CCCN3C(=O)c3cc(O)c4ccoc4c3)C2)n1 1875361584 WBBDOIQTKKXRJL-RDTXWAMCSA-N 436.468 2.709 0 50 IFAA Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[S@@](=O)(=NC(=O)[C@@H]2CC2(C)C)CC1 2332238572 CZFMOGDMNSYGKU-KJEZJMDVSA-N 447.586 2.795 0 50 IFAA COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)CC1 1052729 ITIXPPCFQQTDCH-UHFFFAOYSA-N 437.521 2.949 0 50 IFAA CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 2064839 RZLAXSUNLUDAQI-UHFFFAOYSA-N 440.905 2.930 0 50 IFAA O=C1NCCN(Cc2ccc3ccccc3c2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 11821413 DIXFTTKCWIPKRJ-RUZDIDTESA-N 442.563 2.879 0 50 IFAA Cc1ccccc1[C@@]1(CC(=O)N2CCCC[C@H]2CO)CC(=O)N(Cc2ccccc2)C1=O 11909150 QYPRADZMHSPECT-HFZDXXHNSA-N 434.536 2.955 0 50 IFAA Cc1ccn(CC(=O)N2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)n1 12759710 QLPRPIPZMASETE-UHFFFAOYSA-N 436.516 2.659 0 50 IFAA O=C(c1cc(C2CC2)n[nH]1)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccccn2)C1 14542868 FPLGQZQBLCUFCI-HXUWFJFHSA-N 437.544 2.885 0 50 IFAA COc1cc(CN2CCN(c3ccccn3)CC2)cc(I)c1O 16663111 UEUNMZPWWAXTGZ-UHFFFAOYSA-N 425.270 2.723 0 50 IFAA COc1ccc(CN(C)Cc2ccc(C)cc2)cc1OC[C@H](O)CN1CCN(C)CC1 19223827 FMFWUPFIOPZQMB-HSZRJFAPSA-N 427.589 2.623 0 50 IFAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N4CCN(C)CC4)c3C3CC3)n2)c1 19839619 GEJQBOYZVVZYCO-UHFFFAOYSA-N 448.527 2.612 0 50 IFAA Cc1ccc(C(=O)N/C(=C\c2sccc2C)C(=O)NCCCN2CCOCC2)cc1 19879623 LOZMLXMNJWVBHE-SILNSSARSA-N 427.570 2.974 0 50 IFAA CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)C[C@@H]2CN(C)CCN2C)CC1 22892453 XYEVPSAARMLIEA-JOCHJYFZSA-N 429.605 2.817 0 50 IFAA COc1ccc(NC(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1Cl 72441682 UBJSRHGORRATKH-UHFFFAOYSA-N 427.896 2.987 0 50 IFAA CC(C)n1c(CCNC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc2ccccc21 169772646 XYNXZSSCFLWDHI-LJQANCHMSA-N 433.512 2.807 0 50 IFAA Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc2nnc3ccccn23)c2ccccc21 263587731 KPYRQNFQFWLZJN-SFHVURJKSA-N 448.527 2.973 0 50 IFAA Cn1c(N2CC[C@H](O)C2)nc2cc(C(=O)NCCOc3cccc4cccnc34)ccc21 670469513 RZUGAHVTUXCYOV-SFHVURJKSA-N 431.496 2.501 0 50 IFAA Cc1sc(-c2ccno2)cc1S(=O)(=O)N(Cc1ccncc1)C[C@@H]1CCC(=O)N1 952980296 GFONOXNAKZBJQC-HNNXBMFYSA-N 432.527 2.576 0 50 IFAA O=C(Cc1ccccc1OCc1ccccc1)N1CCC2(CC1)C[C@@](O)(CO)CCO2 1704303186 XARGZPMBDICQBS-XMMPIXPASA-N 425.525 2.703 0 50 IFAA O=C1C[C@H]2[C@H](CCN2C(=O)c2csc(-c3ncccn3)n2)N1CCOCc1ccccc1 1857688246 YWYNPQXMTBZPLU-OALUTQOASA-N 449.536 2.632 0 50 IFAA COc1ccc2nc(C)c(C(=O)N[C@@](C)(Cc3ccc(Br)cc3)C(=O)O)n2n1 2325852088 SJSNYZQLUDXLEW-IBGZPJMESA-N 447.289 2.625 0 50 IFAA Cn1c(=O)c2c(nc(SCCN3CCCCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O 634912 JITKPWYHHRRNRD-UHFFFAOYSA-N 447.992 2.713 0 50 IFAA COc1cc(NC(=O)c2nc3ncccn3n2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 2808256 SQPXMZXLKXDTPC-UHFFFAOYSA-N 443.872 2.871 0 50 IFAA C[C@H](NC(=O)CSc1nnc(CNC(=O)c2ccc(F)cc2)n1C)c1ccccc1 2861334 SFAZQGRRNKTUIF-AWEZNQCLSA-N 427.505 2.854 0 50 IFAA COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccccc2-n2cccn2)CC1 12755653 PHCSUPWJKGBPPR-OAQYLSRUSA-N 426.561 2.852 0 50 IFAA CCC(CC)CNc1cc(C(=O)NCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 14732729 BFEVUXHGDFUQPW-UHFFFAOYSA-N 447.605 2.946 0 50 IFAA Cc1cc(C)cc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)c1 15000881 ZSZILEPDVAVCJX-IFMALSPDSA-N 425.577 2.803 0 50 IFAA CN(Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1)Cc1nc2cc(Cl)ccc2[nH]1 15073271 FZJGVPFSYNXQTA-IBGZPJMESA-N 444.963 2.920 0 50 IFAA COc1ccc(OC)c(NC(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)c1 64800361 LXDOSYHPQPODFB-UHFFFAOYSA-N 426.521 2.757 0 50 IFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)Cc4ccccc4OC)ccn3n2)c1 169777052 SUPBMVZYNRXWCC-UHFFFAOYSA-N 432.480 2.539 0 50 IFAA CC(=O)Nc1cccc(N2C(=O)N[C@H](CCC(=O)NCCn3ccc4ccccc43)C2=O)c1 409415312 ZWMGIMPOWIGZRR-HXUWFJFHSA-N 447.495 2.621 0 50 IFAA Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[S@](=O)(=NC(=O)[C@@H]2CC2(C)C)CC1 2332238573 CZFMOGDMNSYGKU-NGFNCXNUSA-N 447.586 2.795 0 50 IFAA CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 8602723 YHCZHEZDLWPMRF-INIZCTEOSA-N 448.545 2.551 0 50 IFAA Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccc2c(c1)OCO2)OCC3 9058841 JPHHVRWWYWAJTF-JOCHJYFZSA-N 431.448 2.554 0 50 IFAA COC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)c2sc(NC(=O)C3CCC3)nc2C1)c1ccccc1 12097694 NWEVJJWLNXIZMB-YOEHRIQHSA-N 441.509 2.657 0 50 IFAA COC(=O)[C@@H]1CCCN1C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(Cc2ccccc2)C1=O 12205728 KUFHBLHLOLCCCO-LVXARBLLSA-N 448.519 2.746 0 50 IFAA O=C(CCc1cccnc1)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCc2ccccn2)C1 14733278 UULBZUBCURBJMM-XMMPIXPASA-N 444.535 2.866 0 50 IFAA CC(=O)N1CCN([C@@H]2CCc3c(sc4ncn(Cc5ccc(C)cc5)c(=O)c34)C2)CC1 15006285 YVSDLTWNAHRSDP-LJQANCHMSA-N 436.581 2.836 0 50 IFAA CCCCN1C(=O)/C(=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)c2ccccc21 16115972 CZKARDOWEVPKEQ-HNENSFHCSA-N 432.505 2.891 0 50 IFAA COc1cc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)ccc1OCC(C)C 16265726 SRXJEEAQUYJLFS-UNOMPAQXSA-N 435.505 2.769 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cc(C)cc(C)c2)CC3)cc1 19836378 SHQPQFNVBGFRFP-UHFFFAOYSA-N 433.556 2.934 0 50 IFAA O=C(c1ccc(=O)n(-c2ccccc2F)n1)N1CCN(c2cncc3ccccc23)CC1 170607777 FRCLVAJGXMUBBV-UHFFFAOYSA-N 429.455 2.882 0 50 IFAA C[C@H](CNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)c1ccccc1 247988409 JLZYPLVYZZMXAJ-NIKGAXFTSA-N 429.567 2.900 0 50 IFAA COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)N[C@@]12C(=O)Nc1ccc(C)cc12 253488170 YSPQCOHYEDVYBI-ORXGQKIWSA-N 429.904 2.802 0 50 IFAA COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@@H](N)CN1Cc1cccc(Cl)c1)CC2 299791898 DQAXFBHWCUITIC-UXHICEINSA-N 429.948 2.844 0 50 IFAA CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 429381558 NSWOLNOBFXUUMC-QRWLVFNGSA-N 446.511 2.859 0 50 IFAA CN1CCC2(CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(Br)cc3)CC2)C1=O 445263903 YYRVIMQATWFFNC-QGZVFWFLSA-N 448.361 2.525 0 50 IFAA C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCC(=O)Nc3ccccc32)C1=O 735801495 NKCFKAOMEPXBIY-VWLOTQADSA-N 442.475 2.982 0 50 IFAA CC(C)c1ccc(-n2ccnc2SCC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)cc1 769592685 JPNUNIBTUQLEGN-GOSISDBHSA-N 436.603 2.757 0 50 IFAA CCCNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 1775953549 LBJXSRQBQRZKDH-KBAYOESNSA-N 435.590 2.595 0 50 IFAA Cc1c(/C=C/C(=O)Nc2ccc3[nH]nc(NC(=O)/C=C/c4cnn(C)c4C)c3c2)cnn1C 1875254878 MHBKVBCAWXWPCI-NXZHAISVSA-N 444.499 2.951 0 50 IFAA Cc1c(C(=O)N[C@@H]2CCCN(C(=O)[C@H](c3ccccc3)C3CC3)C2)cnn1CCN(C)C 2325828608 MKFPZPANKRUQLV-FYYLOGMGSA-N 437.588 2.668 0 50 IFAA CCN=c1[nH]cnc2cc(C(=O)N[C@](C)(C(=O)O)c3cccc(Br)c3)ccc12 2325851597 DHPAUJCPDLAPPU-FQEVSTJZSA-N 443.301 2.976 0 50 IFAA O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 1070176 BBLNLPXGVVRGQM-UHFFFAOYSA-N 444.481 2.720 0 50 IFAA O=C(CNC(=O)c1cccs1)NCC(=O)OCc1ccc(C(=O)c2ccccc2)cc1 3613209 FFWJSNZJDVUOCU-UHFFFAOYSA-N 436.489 2.569 0 50 IFAA COC(=O)c1cc(CNC(=O)/C=C/c2cccc(F)c2)cc(NC(=O)Cn2cccn2)c1 11788230 TWRWDGUVZCURCI-VOTSOKGWSA-N 436.443 2.777 0 50 IFAA CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CN(C)CCc1ccccn1 12247164 HVFGPRQKWCZLDW-UHFFFAOYSA-N 445.523 2.970 0 50 IFAA COC(=O)[C@@H]1CCCN1C(=O)c1cn(C(C)C)cc(C(=O)NCC2CCCCC2)c1=O 14975053 JKEFEOXBKAWHKV-IBGZPJMESA-N 431.533 2.517 0 50 IFAA CN(CCCCN1CCOCC1)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 20202610 CACDZLORZWAYIN-UHFFFAOYSA-N 425.455 2.530 0 50 IFAA Cc1cc(C)cc(N([C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 20482066 BENLWLVDZRKLRO-HXUWFJFHSA-N 429.586 2.802 0 50 IFAA COc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)c(OC)c1C 20599664 YVSFJZWPHOHEOD-LJQANCHMSA-N 429.565 2.885 0 50 IFAA C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CC[C@H](N3CCCC3=O)C2)cc1 170611528 GJQWOFWQNXMFMM-GGPKGHCWSA-N 427.545 2.692 0 50 IFAA O=C1C[C@H](Cc2ccc(NC(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)cc2)C(=O)N1 170635446 IPJULFGCTBZTNR-KBXCAEBGSA-N 425.872 2.537 0 50 IFAA Cc1ccc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)cc1N1CCCS1(=O)=O 170636765 XQPVMSXXYVKQIW-IBGZPJMESA-N 435.452 2.945 0 50 IFAA CN(C[C@H]1CCCCO1)C(=O)C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O 299766769 HEYBRJJMVCSUPM-BWKNWUBXSA-N 435.524 2.696 0 50 IFAA COc1ccc([C@@]2(CC(=O)N3CCc4c(Cl)cccc4C3)CC(=O)N(C)C2=O)cc1 299768874 QONFFBBJMRCSOA-QHCPKHFHSA-N 426.900 2.950 0 50 IFAA C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(-n3ccnc3)c(F)c1)C2=O 303059808 XCOISHTYDVRACY-WNSKOXEYSA-N 441.507 2.764 0 50 IFAA O=C(NCc1ccccc1OCCN1CCOCC1)N1CC[C@@]2(C1)OCc1ccccc12 472944225 RJZPSSNSIGTZMZ-VWLOTQADSA-N 437.540 2.739 0 50 IFAA COc1cccc(N2CCN(C(=O)CCSc3nnc(-c4ccncc4)o3)CC2)c1 824782126 FLTFTCZYPXANJY-UHFFFAOYSA-N 425.514 2.971 0 50 IFAA C[C@H]1CCc2nc(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc3ccccc3)sc2C1 1323069372 XFINIKPWQULEDI-XJKSGUPXSA-N 430.530 2.767 0 50 IFAA CC(C)CN1C[C@H]2CN(C(=O)c3sc4ccccc4c3C[S@](C)=O)CCN2C1=O 1875263204 CMEZMNOVXWCQES-HOLBHBGLSA-N 433.599 2.998 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1 1145328 GTVIZSWXEPEACN-UHFFFAOYSA-N 445.472 2.753 0 50 IFAA COc1ccccc1C(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O 2956501 FCLVNKXOEPWSHL-AATZCTEQSA-N 428.510 2.789 0 50 IFAA O=C1N[C@@](c2ccccn2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1C[C@H]1CCCO1 11995398 HNDAROMBKCTVHZ-PXDATVDWSA-N 434.540 2.920 0 50 IFAA CC[C@@H](C)CNc1cc(C(=O)NCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 14540417 HHYVEJFZWMOOBG-QGZVFWFLSA-N 433.578 2.556 0 50 IFAA CCN(CC)CCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1COC 14990369 FQJZLSKXPKEZRC-UHFFFAOYSA-N 448.571 2.988 0 50 IFAA COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccc(SC)cc1)CC2 14994002 XZUALWMXSCTHPY-IBGZPJMESA-N 431.606 2.908 0 50 IFAA COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cc2ncccn2n1 19144616 SFPZJOCIZLPZDT-IBGZPJMESA-N 433.556 2.697 0 50 IFAA CCN1CCN(C[C@@H](O)COc2ccc(CNCc3ccc(C)c(F)c3)cc2OC)CC1 19839732 ICTDMMGNJOPRTF-JOCHJYFZSA-N 445.579 2.810 0 50 IFAA O=S(=O)(NCCN1CCC[C@@H](CO)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 670461262 RBOJNFWSVOWZNV-LLVKDONJSA-N 434.402 2.707 0 50 IFAA C[C@@]1(c2cccc(CNc3ccc4nnc(-c5ccccc5F)n4n3)c2)NC(=O)NC1=O 1338221474 KXAXVAVVMNCGFG-QFIPXVFZSA-N 431.431 2.597 0 50 IFAA CO[C@H]1CN(C(=O)C2CCN(C(=O)c3ccccc3C)CC2)C[C@H]1Cc1cc(C)no1 1704357639 UVECBTUOHZFHDL-KNQAVFIVSA-N 425.529 2.860 0 50 IFAA O=C(CCC(=O)NCc1ccc2c(c1)OCCCO2)NCC(=O)c1ccc(F)cc1F 1875253633 HOTZPZPLNVPSME-UHFFFAOYSA-N 432.423 2.522 0 50 IFAA O=C1CCN(C[C@@H]2CCN(c3ccccc3)C2)C(=O)N1CCN1C(=O)COc2ccccc21 1875329103 DUJYYPUALBEVAW-LJQANCHMSA-N 448.523 2.593 0 50 IFAA CC1(C)CCCC[C@@H]1COC(=O)NCc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2 2325886788 JBLKMAGTNVDBHU-IEBWSBKVSA-N 441.528 2.890 0 50 IFAA Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)N=C(O)N(CCc3ccccc3)C2=O)cc1 2863481 LMTMJGGMEPSGSO-SFHVURJKSA-N 441.431 2.531 0 50 IFAA CCC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)C2 11783947 GIARCMMLYMMLEF-CYBMUJFWSA-N 430.505 2.725 0 50 IFAA COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N[C@@H]4CCOC4)c3C3CC3)n2)c1 12213517 RSVJFTKYRLKKKG-OAHLLOKOSA-N 435.484 2.743 0 50 IFAA CN(Cc1nccs1)C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 12297143 ZJJYMWOOZSHJGP-UHFFFAOYSA-N 443.978 2.872 0 50 IFAA COc1ccc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC 19608260 PDKPOMBVORPADQ-UHFFFAOYSA-N 430.501 2.688 0 50 IFAA O=C(NCCCN1CCOCC1)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 20481279 WHMRPHKVTKLMTA-UHFFFAOYSA-N 433.434 2.867 0 50 IFAA COCc1ccc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 20920856 ZZJXUSLUSHXXLZ-HXUWFJFHSA-N 427.545 2.937 0 50 IFAA COC(=O)C[C@@H]1C(=O)NCCN1Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 39466221 BGLWPYJBAPURIH-OAQYLSRUSA-N 436.487 2.850 0 50 IFAA COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2CCCCC2)cc(=O)c1O 217720837 RYYGLFAIUCNCTN-MRXNPFEDSA-N 447.484 2.749 0 50 IFAA biogenic C[C@H](CCC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)NC(=O)OC(C)(C)C 225496566 YJTLVQVMOJLAEW-UKRRQHHQSA-N 440.566 2.752 0 50 IFAA CN1CCc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)cc2C1=O 473285065 WNJPIDRITNAGJC-KRWDZBQOSA-N 431.496 2.682 0 50 IFAA Cc1cc(N2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)nc(-c2ccccc2O)n1 952970807 DNXZJPJPDGLVCM-OAQYLSRUSA-N 429.524 2.521 0 50 IFAA COc1cc2c(cc1OC)C1(CCN(C(=O)c3cnc(C4CC4)nc3O)CC1)OCC2 1704303047 WFSWNBSFVGULGP-UHFFFAOYSA-N 425.485 2.781 0 50 IFAA CC(=O)c1ccnc(N2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)c1 1857700860 NGOWTHUUYDNPGX-NRFANRHFSA-N 427.476 2.699 0 50 IFAA COc1ccc([C@@H](Cc2ccccc2)NC(=O)CCc2c(C)nc3nc[nH]n3c2=O)cc1 1875260551 LGOUWASIAFTFBT-OAQYLSRUSA-N 431.496 2.767 0 50 IFAA Cc1cccnc1C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1ccnc2[nH]ncc12 1875360307 FBZNKOYMCVGSOY-SFHVURJKSA-N 426.480 2.658 0 50 IFAA Cc1ccc(Cl)cc1N1CCN(C(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 982871 PBHUREUFOBMESN-UHFFFAOYSA-N 439.940 2.902 0 50 IFAA Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(I)cc2)cc1 1127495 DDBVCNCENWYZJU-LBPRGKRZSA-N 444.294 2.905 0 50 IFAA CCCc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cnnn4)cc3)CC2)cc1 8613561 YNAFAFWFNRPBLR-UHFFFAOYSA-N 427.530 2.847 0 50 IFAA Cc1nn(C)cc1CNC(=O)c1cn(CC(C)C)cc(C(=O)NC2CCCCC2)c1=O 11782847 YBSCBGWXDCJWPZ-UHFFFAOYSA-N 427.549 2.539 0 50 IFAA CCCn1cc(CN2CCC(N3CCC(C(=O)NCc4cccnc4)CC3)CC2)c(C)n1 11821760 YXXAUDFSVMGEFC-UHFFFAOYSA-N 438.620 2.989 0 50 IFAA O=C(c1ccc(N2CCC(NC[C@H]3COc4ccccc4O3)CC2)cc1)N1CCOCC1 12246995 QGCAHFFKGYZLNU-QFIPXVFZSA-N 437.540 2.557 0 50 IFAA Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)n1 12761231 NWGXCYFHMJJOJJ-INIZCTEOSA-N 436.603 2.876 0 50 IFAA O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CCN(Cc1cccc(F)c1F)CC2 14952983 SDMGOTCOBKGKOC-UHFFFAOYSA-N 443.473 2.655 0 50 IFAA O=CN1CCN(Cc2ccc(OCC[C@@H]3CCCCN3C(=O)c3cccnc3)cc2)CC1 14990729 NGYYTBZMMAATBF-QHCPKHFHSA-N 436.556 2.819 0 50 IFAA Cc1c(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C 19286884 IQCSEZKQDIQIHX-FMIVXFBMSA-N 445.567 2.754 0 50 IFAA COc1ccc(CN2CC(=O)N(CCCN3CCCC3=O)C[C@@H](OC)C2)c2ccccc12 19939603 GHFWHBNFJOMARG-FQEVSTJZSA-N 439.556 2.520 0 50 IFAA O=C(c1ccccc1)N1CCN([C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 96316605 UIMUDWQNNPMCGJ-GOSISDBHSA-N 442.313 2.539 0 50 IFAA CC(C)CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 169759034 SJMNJXUPXSGOGP-FQEVSTJZSA-N 428.508 2.918 0 50 IFAA Cc1ccc([C@H](NC(=O)CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)c2cccs2)cc1 252533183 GEWAGGQZAPNZEM-BXGKMRNVSA-N 442.610 2.801 0 50 IFAA CNS(=O)(=O)c1ccc(N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)nc1 302014467 BNLUCJHUTVJOFR-MRXNPFEDSA-N 442.463 2.612 0 50 IFAA COc1ccc2cc(C(=O)NCCc3nc(-c4ccccn4)no3)sc(=O)c2c1OC 824519540 YDSWKGYQRKUHJG-UHFFFAOYSA-N 438.465 2.696 0 50 IFAA CS(=O)(=O)N(CC(=O)N1CCC([C@@H](O)c2cccs2)CC1)c1cccc(F)c1 1506429830 VOJBQHXBCVRPQW-LJQANCHMSA-N 426.535 2.625 0 50 IFAA Cc1nc(O)cc(C(=O)N2CC[C@H]([C@@H]3CCCN3C(=O)c3ccc(Cl)c(O)c3)C2)n1 1875361210 QCZPXPZREWSSSJ-YOEHRIQHSA-N 430.892 2.617 0 50 IFAA CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)(F)F 2325819507 HGDQZLIQZAXIJO-HNNXBMFYSA-N 429.439 2.659 0 50 IFAA COc1ccc(CNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 880276 AMDODWMTZIRXBR-UHFFFAOYSA-N 427.320 2.540 0 50 IFAA CN(CCc1cn[nH]c1)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C)C1=O 12128835 LBBVALMTHRPNMO-VWLOTQADSA-N 430.508 2.794 0 50 IFAA CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)Cc1ccccc1OC 12314389 DHRJOWZAHBWWSJ-QHCPKHFHSA-N 431.621 2.909 0 50 IFAA COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN([C@@H](C)CO)CC2 14743166 ACLSXJQSGCZNGT-IBGZPJMESA-N 439.556 2.856 0 50 IFAA Cc1ccc(C)c(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 19744580 PWYZJJCECPWGCY-UHFFFAOYSA-N 435.547 2.994 0 50 IFAA COc1cc(CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc(OC)c1O 19789480 OFMJTVUADODLPK-UHFFFAOYSA-N 432.517 2.753 0 50 IFAA biogenic CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1CN1CCN(Cc2ccccn2)CC1 23362299 ONAJEYICHQXRPI-UHFFFAOYSA-N 435.528 2.770 0 50 IFAA CC(C)(C)OC(=O)N1CCC[C@H](n2nc(I)c3c(N)ncnc32)C1 116354195 YQXAEBHPCJZKKX-VIFPVBQESA-N 444.277 2.585 0 50 IFAA COc1cccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(OC)c4OC)ccn3n2)c1 169781420 YMIIVQBKJKATOR-UHFFFAOYSA-N 448.479 2.619 0 50 IFAA CO[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC[C@H]1C 170603469 UXJOUDXQJWVKLV-PBHICJAKSA-N 448.507 2.990 0 50 IFAA COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@H](CC(C)C)C(=O)OC)C12CCCC2 252536727 JHODNIULTFJTHY-WOJBJXKFSA-N 430.545 2.889 0 50 IFAA NC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)cc1 253410020 MSVZFXOHLAJRPS-HSZRJFAPSA-N 440.459 2.929 0 50 IFAA biogenic COC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cnc1C 253432812 OLIGYJHKSVVZBI-UHFFFAOYSA-N 446.312 2.743 0 50 IFAA CCCc1nc(C)cc(N2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(C(=O)OCC)C2)n1 1857705507 KHVFSXIRBSADFT-YOSAUDMPSA-N 430.593 2.998 0 50 IFAA CN1C(=O)Cc2cc(CNC(=O)NCc3cn4cccc(Br)c4n3)ccc21 1875320762 JMTDKKXILJXGQN-UHFFFAOYSA-N 428.290 2.615 0 50 IFAA Cc1cc(C)cc(N([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 2890131 QJSCRYQJBUXXDI-SFHVURJKSA-N 433.549 2.946 0 50 IFAA Cc1nc(N2CCC[C@@H]2C(=O)NCc2ccc(-n3cncn3)cc2)nc2ccc(F)cc12 12036620 VHTHCXLWJPIUSL-OAQYLSRUSA-N 431.475 2.943 0 50 IFAA COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCc4nnc(C)[nH]4)C3)C2)c1OC 12303534 RFBHNBPFMGMYGX-HSZRJFAPSA-N 427.549 2.578 0 50 IFAA COc1ccccc1CCC(=O)Nc1cnn(CC(=O)N(C)CC[C@H]2CCCCO2)c1 14989368 DRIFATYHPXQFEG-HXUWFJFHSA-N 428.533 2.881 0 50 IFAA COCc1c(C(=O)N(C)CCCN(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CC2 15070318 YTGQRJJFZHFUHW-UHFFFAOYSA-N 434.544 2.598 0 50 IFAA Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 16283349 IEEZLSGCQLIFOS-UHFFFAOYSA-N 448.552 2.943 0 50 IFAA O=C1CS[C@@]2(C(=O)N(CN3CCOCC3)c3ccccc32)N1c1cccc(Cl)c1 22298973 RZYQIDGBHPZRFI-NRFANRHFSA-N 429.929 2.909 0 50 IFAA CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)c2cc3c(s2)CCOC3)CC1 482849264 PHFPDMBXQLGHFM-IBGZPJMESA-N 425.554 2.556 0 50 IFAA N=c1cc(-c2noc(Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)c(Cl)c[nH]1 2325849832 BKZMDTLTSQHRKB-UHFFFAOYSA-N 433.921 2.963 0 50 IFAA CCc1ccsc1C(=O)N=[S@@](C)(=O)C1CCN(C(=O)COC[C@H]2CCCO2)CC1 2332238517 BDHPYHDHOPIKSF-BCOMRZATSA-N 442.603 2.735 0 50 IFAA COC(C)(C)c1nsc(N2CCC([S@](C)(=O)=NC(=O)C[C@H]3CCCO3)CC2)n1 2332239163 YSVKOTOXNGPCIL-QYSRSOONSA-N 430.596 2.582 0 50 IFAA COc1ccc(CC(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 1057382 WMUHVUOIDSWYQV-HNNXBMFYSA-N 439.541 2.974 0 50 IFAA CCn1cc(Cl)c(-c2nnc(SCC(=O)NCC(C)C)n2C[C@@H]2CCCO2)n1 2791794 RYSADFCVFMCLMC-ZDUSSCGKSA-N 426.974 2.858 0 50 IFAA CCn1nc(C)c(CNCc2c(C(=O)N3C[C@H](C)O[C@H](C)C3)nc3sccn23)c1C 11753555 ZXUGUTXRCVQDCK-OKILXGFUSA-N 430.578 2.768 0 50 IFAA CCOC(=O)C[C@@H]1COCCN1C(=O)CCc1nnc(CCCCc2ccccc2)o1 11999567 OMOQDXRZZDYZQX-LJQANCHMSA-N 429.517 2.748 0 50 IFAA COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCCn2ccnc2C)c1 12434297 MPVKZPDNDLPBMK-UHFFFAOYSA-N 440.544 2.800 0 50 IFAA CCCN1CCC(N2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1 20515917 CPQQJLPKLHVQFJ-QHCPKHFHSA-N 428.621 2.872 0 50 IFAA CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2cccc(C(C)=O)c2)C2=C1C(=O)OC2 169758163 YZSATJXVBITRPN-QFIPXVFZSA-N 449.463 2.804 0 50 IFAA O=C(Nc1ccc2nccnc2c1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 238900229 IBHJRNCYMYGFMY-GJEUKYARSA-N 438.487 2.987 0 50 IFAA O=C(NCC1CC1)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 263619101 WXILUKYLGQZLHV-LJQANCHMSA-N 443.935 2.581 0 50 IFAA CSCC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)n1c(O)nc2ccccc2c1=O 888090380 VKQBNIMXWUBWPK-GOSISDBHSA-N 426.498 2.993 0 50 IFAA CC1(C)CCc2nc(O)c(C(=O)N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)cc2C1 1322820151 ZEMORTHSSSCKKS-UHFFFAOYSA-N 437.496 2.629 0 50 IFAA CC[C@H](C)n1cnc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C(C)C)ccc2C)c1 2325739313 GJYBQTBWSSCTOB-HNNXBMFYSA-N 428.580 2.992 0 50 IFAA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 708976 DXLVSXMUPCSXRM-LJQANCHMSA-N 427.457 2.988 0 50 IFAA O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 837357 PXMFFRDHNXGFLC-UHFFFAOYSA-N 429.325 2.944 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)c1ccccc1F 1179069 VYTAHOKZEBVHBR-UHFFFAOYSA-N 448.257 2.835 0 50 IFAA CCn1c(=O)n(CC)c2cc(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)ccc21 9191286 BJHCHPYYTBGXOS-UHFFFAOYSA-N 428.876 2.860 0 50 IFAA CCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)N3CCNC(=O)CC3)c21 12218317 LAYLTCHFNNMGHG-UHFFFAOYSA-N 437.475 2.783 0 50 IFAA C[C@H]1C[C@@H](C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1 12393267 QXDXQVQGJJQEFJ-BETUJISGSA-N 433.915 2.757 0 50 IFAA CCCCn1nc(C)c2c(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(Cl)c(C)nc21 20607277 JNNDLBTZEQAHEX-UHFFFAOYSA-N 441.985 2.609 0 50 IFAA COc1ccc(COC(=O)C2=CN(Cc3ccc(OC)cc3)S(=O)(=O)N=C2C)cc1 169755179 GIUNNOJWSMVIBP-UHFFFAOYSA-N 430.482 2.852 0 50 IFAA CC[C@@H](C)C(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)N(CCN(C)C)C2=O)CC1 299758535 MJQWKSUXHMBSQB-KBMIEXCESA-N 442.604 2.756 0 50 IFAA CCCC(=O)N1CCC([C@@]2(Cc3ccc(F)cc3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1 299770134 QPVRMAMCLDXARE-GBXCKJPGSA-N 445.535 2.877 0 50 IFAA Cc1nc(C(=O)Nc2cc3ccccc3cc2C(=O)O)nn1-c1n[nH]c(C(F)(F)F)n1 766982468 FNKGRAOGMVUUIF-UHFFFAOYSA-N 431.334 2.816 0 50 IFAA CC(=O)c1c(C)nn(CC(=O)N2CCN(CCOc3ccc(Cl)cc3C)CC2)c1C 952964750 BQORFERIZLDFJR-UHFFFAOYSA-N 432.952 2.888 0 50 IFAA Cc1cccc(NC[C@H]2CCCN2CC(O)CN2CCC[C@@H]2CNc2cccc(C)n2)n1 2325750035 XAZYVWMZLXRNOK-FGZHOGPDSA-N 438.620 2.907 0 50 IFAA C[C@@H]1C[C@H](C(=O)N=[S@@](C)(=O)C2CCN(C(=O)c3cnc(CC4CC4)s3)CC2)CO1 2332238782 KYVRFCJJYGVYJQ-BOWJYTNOSA-N 439.603 2.750 0 50 IFAA NC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 1012527 IKISTPWQNTURSS-UHFFFAOYSA-N 441.484 2.754 0 50 IFAA CS(=O)(=O)N(CC(=O)Nc1ccc(I)cc1)Cc1ccccc1 1143195 JBEMRHPJEKBTBO-UHFFFAOYSA-N 444.294 2.692 0 50 IFAA CC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2OC)CC(=O)N(CCCOC)C1=O 12000659 YEQYZZPRZUNBOR-UUOWRZLLSA-N 430.545 2.910 0 50 IFAA Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)NCCN(C)C)N(Cc3cc(F)ccc3F)C2)n1 12051949 ZPYFBJFDOGBLQO-QUCCMNQESA-N 449.571 2.785 0 50 IFAA CC[C@@H](O)CNC(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C1CC1 12281067 YZFROPOORPNRQD-OAHLLOKOSA-N 437.500 2.725 0 50 IFAA Cn1c2c(cc(Cc3ccccc3F)c1=O)CN(C(=O)c1cc3c([nH]c1=O)CCCC3)CC2 14537253 PRYLPYBAPJUEIH-UHFFFAOYSA-N 447.510 2.881 0 50 IFAA O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20151772 ILROLKAWTJALIA-UHFFFAOYSA-N 448.504 2.596 0 50 IFAA C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2 210829934 SPDQRCUBFSRAFI-DOMZBBRYSA-N 443.857 2.858 0 50 IFAA in-vitro COc1ccc(CNC(=O)[C@H](C)OC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc1 221961483 VRVCWUCKXQXBNK-KPQRUHFCSA-N 428.529 2.718 0 50 IFAA Cn1cnnc1[C@@H]1CCCN1c1cc(N2CCC[C@H]2c2nncn2C)nc(C(C)(C)C)n1 252537024 KEOPOQPUYHRADP-HOTGVXAUSA-N 436.568 2.714 0 50 IFAA O=C(C[C@H]1N=C(O)N(Cc2cccc(Cl)c2)C1=O)NC[C@@H]1CCCN2CCCC[C@H]12 252550350 SKWJBGKZNLROEU-QXAKKESOSA-N 432.952 2.736 0 50 IFAA COc1cc2c(cc1OC)CN(C(=O)[C@@H](Cc1ccccc1)n1cccc1)[C@H](C(N)=O)C2 263586053 PFOZNEFRNOVDLO-LEWJYISDSA-N 433.508 2.728 0 50 IFAA biogenic CC(=O)Nc1cc(NC(=O)C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)ccc1F 441933843 MPAFAOVUNXKEDS-LIRRHRJNSA-N 432.521 2.983 0 50 IFAA O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)N(Cc1ccncc1)Cc1cccnc1 773934118 WTPNFKWIMRVRBD-UHFFFAOYSA-N 431.427 2.507 0 50 IFAA Cc1cc(C)n(-c2cccc(C(=O)Nc3ccc(OCC(=O)N4CCOCC4)cc3)c2)n1 827968439 YOOAESYCUFFIRI-UHFFFAOYSA-N 434.496 2.979 0 50 IFAA COc1ccc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)cc1-c1nnc(C)o1 886024152 IXZVDBGSLZKWFC-QGZVFWFLSA-N 435.440 2.523 0 50 IFAA Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N2CCc3nc(N)ncc3C2)c1 1472547087 XSXCHTPVBQDEKK-UHFFFAOYSA-N 441.488 2.506 0 50 IFAA COc1ccc(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cc1OC 647797 WDJCIUJFMAOOFZ-UHFFFAOYSA-N 443.319 2.871 0 50 IFAA COC(=O)Cc1c(C)[nH]c2nc(NCc3ccc(OCc4ccccc4)cc3)nn2c1=O 1057299 WSNHBGBZZUXNBJ-UHFFFAOYSA-N 433.468 2.633 0 50 IFAA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1 2836886 RNCYTLUPBGBJDM-UHFFFAOYSA-N 430.921 2.883 0 50 IFAA CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(Br)cc1 6553015 NTNFVQUAJMSDFP-NNFUDEMPSA-N 427.291 2.615 0 50 IFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 8816482 RLXDCESAGPJIBY-MRXNPFEDSA-N 445.541 2.717 0 50 IFAA COc1ccc(OC)c(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)O3)c1 12001223 FMMDFYSOPKYTIB-YJBOKZPZSA-N 430.888 2.723 0 50 IFAA Cc1nc(N2CCC[C@H]2C(=O)NCc2ccc(-n3cncn3)cc2)nc2ccc(F)cc12 12036625 VHTHCXLWJPIUSL-NRFANRHFSA-N 431.475 2.943 0 50 IFAA COC(=O)CCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 12314095 NRZFFJZGIRQVAF-UHFFFAOYSA-N 438.524 2.982 0 50 IFAA COc1ccc(CNCC2CCN(C)CC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 12756344 SLQCCWKGONKYNM-DEOSSOPVSA-N 441.616 2.998 0 50 IFAA C[C@@H]1C[C@@]2(C[C@@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1 16319861 FTZRUURQZZDBSC-IRKUAANASA-N 435.889 2.814 0 50 IFAA CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC)cc3)CC2)cc1 17100713 HPUFQIANABSVSL-UHFFFAOYSA-N 436.599 2.897 0 50 IFAA CCN1CCN(C[C@H](O)COc2ccc(CNCc3ccccc3C)cc2OC)CC1 20207947 LZOQCDMFZFGXEC-QHCPKHFHSA-N 427.589 2.671 0 50 IFAA Cc1nc(C(=O)N(CCN(C)C)Cc2cc3cc4c(cc3nc2N(C)C)OCO4)cs1 20536985 BLTPIPANJUTMCQ-UHFFFAOYSA-N 441.557 2.998 0 50 IFAA CCOc1ccccc1CN1CCc2nnc([C@@H](CC(C)C)NC(=O)COC)n2CC1 20906256 ZCQNEANJTQXSSL-LJQANCHMSA-N 429.565 2.585 0 50 IFAA O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1F 36122908 NIQGMXDBNSPTFE-UHFFFAOYSA-N 429.876 2.563 0 50 IFAA O=C(CN1Cc2ccccc2O[C@H](c2ccsc2)C1)N1CCN(c2ncccn2)CC1 39356817 FIQDOFJXOIODFG-NRFANRHFSA-N 435.553 2.823 0 50 IFAA O=C(O)COCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 95496218 XNOJSAOJCBOZTA-UHFFFAOYSA-N 429.469 2.660 0 50 IFAA in-vitro CN(C)CC(=O)Nc1cccc(CN[C@@H](C2CC2)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 225632490 CDEBJPITIWHFOU-UNMCSNQZSA-N 446.592 2.691 0 50 IFAA COc1ccc(C=c2sc3nc(=O)c(Cc4ccc(F)cc4)c(C)n3c2=O)c(OC)c1 254417020 OQPASKDIWZZLQU-UHFFFAOYSA-N 438.480 2.719 0 50 IFAA CCN(CCNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)Cc1cc(Cl)cc(Cl)c1 1875342367 OGAYUKNVTQIKFV-UHFFFAOYSA-N 435.311 2.775 0 50 IFAA CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)NC1CCCCC1 686699 JVEKCFRVURUFBQ-UHFFFAOYSA-N 445.589 2.707 0 50 IFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)nc(C)n1 913117 XFPNCNJHKVRVAA-IBGZPJMESA-N 440.481 2.673 0 50 IFAA CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCC(N)=O 2929597 BWUARERBKSTWFQ-SXGWCWSVSA-N 429.860 2.696 0 50 IFAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 16474271 XCHDNYGSGNOEAO-UHFFFAOYSA-N 441.431 2.661 0 50 IFAA CC(=O)N1CCCN(Cc2cnc(S(=O)(=O)Cc3ccccc3)n2CC(C)C)CC1 19792456 JMJQECAKYCLCQI-UHFFFAOYSA-N 432.590 2.567 0 50 IFAA CO[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC[C@@H]1C 170603470 UXJOUDXQJWVKLV-YOEHRIQHSA-N 448.507 2.990 0 50 IFAA CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253501930 OTLJDTMBQKLRPK-SJVSKSPTSA-N 448.556 2.715 0 50 IFAA COC(=O)[C@H](O)C1CCN(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)CC1 437382526 IDGDUOLPJJPDEA-QGZVFWFLSA-N 440.422 2.977 0 50 IFAA COc1cccc(C[C@H](C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)n2nnnc2C)c1 467033375 MEXNBWARYDKMJQ-AMHTUMDSSA-N 434.544 2.553 0 50 IFAA C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[C@H]1OCCc2sccc21 817052043 UOYNPMUCXVBODC-GNUPYSACSA-N 430.526 2.639 0 50 IFAA C[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c2ncnn21 1470089671 XZXMVUYENODLSL-BDJLRTHQSA-N 447.904 2.874 0 50 IFAA O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)N[C@@H]1CCCN(c2ccc(F)cc2F)C1=O 2325827286 BIMJCGAETQKKGM-FUHWJXTLSA-N 434.487 2.551 0 50 IFAA Cn1cc(S(=O)(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)c(C2CC2)n1 2325828556 KSFGMRLTOAUXDP-ZDUSSCGKSA-N 442.463 2.659 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4[C@H]5CC[C@H]4c4ccccc45)ccc3C2=O)C(=O)N1 2325898924 FEOCSNZITIYFQE-SLFFLAALSA-N 430.464 2.871 0 50 IFAA Cc1cc(C)n(CC(=O)N2CCC[C@@]3(CCc4cnc(-c5ccccc5)nc43)C2)c(=O)n1 2356156058 UCRAJSLTBNFANL-RUZDIDTESA-N 429.524 2.824 0 50 IFAA CCOc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 858000 KJRZHUIDHAMSIB-UHFFFAOYSA-N 438.933 2.793 0 50 IFAA COc1ccc(Cc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2C)cc1 9426895 GLTNLJBWZVIPPO-UHFFFAOYSA-N 426.498 2.917 0 50 IFAA COc1cccc(C(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC(C)C)nn2)c1OC 11783986 LYGLSKJWEWJVMT-MRXNPFEDSA-N 429.521 2.519 0 50 IFAA Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3c[nH]cn3)CN(Cc3ccc(O)cc3)C2)cn1 14748957 LYNKTFRWQQHMPF-LEWJYISDSA-N 449.555 2.695 0 50 IFAA Nc1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169816127 ABVNDIYOGMYXDN-UHFFFAOYSA-N 442.150 2.646 0 50 IFAA C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CC[C@H](N3CCCC3=O)C2)cc1 170611526 GJQWOFWQNXMFMM-NSHGMRRFSA-N 427.545 2.692 0 50 IFAA C[C@H]1CN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CCN1c1nccn2cnnc12 433425105 PPZBJHXPPAIKAG-ZDUSSCGKSA-N 441.421 2.710 0 50 IFAA O=C1CC[C@@H]2CN(C(=O)[C@H]3CN(Cc4nc(O)c5ccccc5n4)CCO3)c3cccc1c32 468637508 JAXINQPFTWFDDI-QVKFZJNVSA-N 444.491 2.643 0 50 IFAA COc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2ccc(S(N)(=O)=O)cc2)c1 798335751 RZGYFYHJBZVYRU-QFIPXVFZSA-N 440.521 2.719 0 50 IFAA O=C1CCN(c2ccccc2C(=O)N2CCC3(CC2)OCCc2sccc23)C(=O)N1 2356162625 NPHFTKUTCFSHNB-UHFFFAOYSA-N 425.510 2.899 0 50 IFAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 2818666 MIMTZSQZGXGLHD-UHFFFAOYSA-N 448.526 2.704 0 50 IFAA COc1ccc(-c2noc(CN3CCC(N4CCSCC4)CC3)n2)c(OC)c1OC 11661961 ZLZTXFRYBNDIRJ-UHFFFAOYSA-N 434.562 2.776 0 50 IFAA Cc1nc(C)c(C(=O)N2CCC([C@]3(Cc4ccccc4F)NC(=O)NC3=O)CC2)s1 12034237 BBWOEUBJYXNOPN-NRFANRHFSA-N 430.505 2.572 0 50 IFAA Cn1cc(CCC(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)cn1 14530874 FYOKJMPJBUJSJV-HSZRJFAPSA-N 438.572 2.942 0 50 IFAA C[C@H](Cc1cccc(C(F)(F)F)c1)N1CCC(n2cc(C(=O)N(C)CCO)nn2)CC1 14997305 IILHUBFUUWCGPL-OAHLLOKOSA-N 439.482 2.629 0 50 IFAA COc1cc(CN2CCC(N3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)cc(OC)c1 19221221 BAKPTZCAFIXNEW-JOCHJYFZSA-N 445.604 2.675 0 50 IFAA c1cc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c2c(c1)OCO2 20601143 AAPAEUQGIOSHDO-OAQYLSRUSA-N 437.540 2.926 0 50 IFAA CNC(=O)c1cc2cc(NC(=O)C(=O)N[C@@H](C)c3cccc(N4CCCC4)c3)ccc2[nH]1 472636166 IHGXNUSORVUXBZ-HNNXBMFYSA-N 433.512 2.944 0 50 IFAA O=C(CCC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)N1CCN(c2ccccc2)CC1 498902666 ZIIBLHPJGPPEEL-IBGZPJMESA-N 436.560 2.517 0 50 IFAA Cc1ccc(N2CCN(C(=O)N[C@H]3CCc4nnc(-c5ccc(F)cc5)n4C3)CC2=O)cc1 807092903 YIHLJOPBIYZEFK-IBGZPJMESA-N 448.502 2.766 0 50 IFAA C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 915259414 HXKSMVMLBLDRRX-OXQOHEQNSA-N 432.480 2.724 0 50 IFAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1 1704332164 QKRAYMXPBQZBOA-UHFFFAOYSA-N 446.617 2.914 0 50 IFAA O=C(Nc1cc(-c2cccnc2)nn1CCO)C1CCN(C(=O)c2ccc(F)cc2)CC1 1875265294 RAMAQWNCXDXEMQ-UHFFFAOYSA-N 437.475 2.567 0 50 IFAA O=C(c1ccc(-c2n[nH]c(C3CC3)n2)cc1)N1C[C@@H]2CS(=O)(=O)C[C@@]2(c2ccccc2)C1 1875328140 ALTDTFDCZTZNJO-HYBUGGRVSA-N 448.548 2.788 0 50 IFAA C=CC(=O)N1CCC[C@@H](C(=O)N=[S@]2(=O)CCOc3ccc(Br)cc32)C1 1875371996 SWMMCWYHBXDAGS-YDBLSZJJSA-N 427.320 2.620 0 50 IFAA O=C1[C@@H](NC(=O)N2CCCC23CCNCC3)CCN1c1cccc(OC(F)(F)F)c1 2325786830 HSCGTXDLXTZGDC-INIZCTEOSA-N 426.439 2.618 0 50 IFAA CC(C)n1[nH]c(-c2ccccc2)nc1=NC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 2325852895 XIVCHEDFNMMFDW-LBPRGKRZSA-N 430.559 2.552 0 50 IFAA COc1cc(C(=O)N[C@H](C)C(=O)Nc2ncc(C[C@@H]3CCOC3)s2)cc(OC)c1OC 2325854763 SYIQHEFHJNMGDY-OLZOCXBDSA-N 449.529 2.505 0 50 IFAA O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NC1CC1 1166475 PITHESXTBZCVPF-UHFFFAOYSA-N 437.359 2.961 0 50 IFAA O=c1c(CNCCCN2CCOCC2)cc2ccc(Cl)cc2n1Cc1ccccn1 11786737 AAJFSRYZCHCMNU-UHFFFAOYSA-N 426.948 2.910 0 50 IFAA COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 14732520 BGQPQCRPNJCPKA-UHFFFAOYSA-N 449.551 2.805 0 50 IFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccoc3)C2)nn1 15008750 RTSBINWYLAMVST-LPHOPBHVSA-N 441.513 2.834 0 50 IFAA COc1cc(OC)c(OC)cc1CN1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 19904716 QAUNXSDUGAESAF-UHFFFAOYSA-N 432.517 2.753 0 50 IFAA biogenic Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nn2)nc1 72434095 KKNHNKPLHGUPEE-UHFFFAOYSA-N 428.493 2.574 0 50 IFAA COc1ccc(CNC(=O)CN2C(=O)N[C@@H](c3ccc(Cl)cc3)C3=C2COC3=O)cc1 169757886 WRBRNMFTEMBIDD-FQEVSTJZSA-N 441.871 2.542 0 50 IFAA CC(C)N(C(=O)CO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@H]21)c1ccccc1 239358465 NJHYYAKMLCLPQN-RQUKQETFSA-N 435.517 2.841 0 50 IFAA COc1ccc(OC)c2c1CN(C(=O)c1cn(-c3cccc(C(F)(F)F)c3)nn1)C[C@@H]2O 739495270 WETRSZCNWZDATD-INIZCTEOSA-N 448.401 2.993 0 50 IFAA O=C1C[C@H](C(=O)N2CCCN(c3nc4ccccc4s3)CC2)CN1Cc1ccccn1 1506409670 SBNQIMZWEFPCSZ-KRWDZBQOSA-N 435.553 2.779 0 50 IFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N4CCC[C@@H]4c4ccccc4)ccc3C2=O)C(=O)N1 2325896894 JTEAVNJBVKIXOH-WOJBJXKFSA-N 432.480 2.817 0 50 IFAA c1ccc(COc2ccc(Oc3nc(N4CCCCC4)nc(N4CCOCC4)n3)nn2)cc1 1062839 GSTYOSKTMANUGO-UHFFFAOYSA-N 449.515 2.860 0 50 IFAA CCn1ccnc1CN1CCC(n2nccc2NS(=O)(=O)Cc2ccccc2)CC1 11664842 HTZTZKBGBQXRJB-UHFFFAOYSA-N 428.562 2.879 0 50 IFAA O=C1CC[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CN1Cc1cccc(C(F)(F)F)c1 12072610 IQFFUQNMOZDEEJ-QGZVFWFLSA-N 447.461 2.583 0 50 IFAA O=C(NC[C@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1)c1ccc2c(c1)OCO2 12701353 DLDBIPUTIOBDNE-GOSISDBHSA-N 436.512 2.587 0 50 IFAA COc1ccc(-c2nc(CN(CCO)[C@@H]3CCS(=O)(=O)C3)c(C)o2)c2ccccc12 20448637 MGWQNBVBINQJJU-MRXNPFEDSA-N 430.526 2.793 0 50 IFAA Cn1cc(Br)cc(NC(=O)N2CCC(Oc3ccc(F)nc3)CC2)c1=O 792333714 NMUSHOBWTXZWJY-UHFFFAOYSA-N 425.258 2.757 0 50 IFAA Fc1cc2nc[nH]c(=NCCN3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2cc1F 1875260632 SEAMFELUFLQPSJ-UHFFFAOYSA-N 438.404 2.978 0 50 IFAA COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3cnn[nH]3)C2)c1 1875335933 MPBZQSXPOQNFSP-MRXNPFEDSA-N 441.513 2.634 0 50 IFAA COC(=O)CNS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1 1875391236 MYCKROIRIGWFMM-UHFFFAOYSA-N 440.403 2.844 0 50 IFAA Cc1cnc2c(S(=O)(=O)N[C@H](C)CC(=O)Nc3ccc(CN)c(F)c3)cccc2c1 2325843204 YRLZCKICWCXRNP-CQSZACIVSA-N 430.505 2.837 0 50 IFAA O=C(O)[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)N2)Cc2c1cccc2C(F)(F)F 2325852646 NQTXYJMSPNRGOB-CYBMUJFWSA-N 439.415 2.711 0 50 IFAA C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)C1 2325899103 OGHBZOGFECUUAG-IPHXSNPTSA-N 431.492 2.671 0 50 IFAA COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)=O)cc2)cc1 1505587 PVODHFBTFUIQGP-UHFFFAOYSA-N 426.454 2.741 0 50 IFAA COc1cc(NC(=O)CSc2nnc(Cn3nccc3C)o2)ccc1OC(F)F 2809397 AWAMMKCBHWKFQO-UHFFFAOYSA-N 425.417 2.964 0 50 IFAA COc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 2877317 DWFKGEDOENKRAV-LJQANCHMSA-N 445.585 2.815 0 50 IFAA Cc1nc(C(=O)N2CCc3c(c(C(=O)NCc4ccccn4)nn3CC3CC3)C2)cs1 14535794 FJTCRDZVFCLYKQ-UHFFFAOYSA-N 436.541 2.582 0 50 IFAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccoc1)CC2 14733405 PFGVLGSUWJDGCS-UHFFFAOYSA-N 427.501 2.734 0 50 IFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2cc(F)cc(F)c2)CCO3)CC1 20599370 UGSBBNSAQKAJCM-UHFFFAOYSA-N 429.467 2.664 0 50 IFAA CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1 64800707 RAMIBLVLGNYLCM-UHFFFAOYSA-N 429.468 2.747 0 50 IFAA CCOC(=O)[C@H](NC(=O)CNC(=O)CC(C)(C)C)c1c(C)nn(Cc2ccccc2)c1C 170614371 AKCBXIKAYYCPGG-JOCHJYFZSA-N 442.560 2.821 0 50 IFAA CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)[C@@H]3CCCN(C(=O)c4ccncc4)C3)ccc21 225664718 VQUWWBWABJUYEL-HRAATJIYSA-N 449.507 2.657 0 50 IFAA COc1cc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc(OC)c1OC 263617588 OPSOKHSJNNOHRV-GOSISDBHSA-N 428.420 2.967 0 50 IFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCCN(C)C)CCN(Cc3ccccc3)CC2)o1 1776111683 LFQBYEIKDPALAS-UHFFFAOYSA-N 441.572 2.646 0 50 IFAA CCN1C[C@@H](C)[C@@H](NC(=O)c2cc(F)c(-c3cn(CCCCC(=O)O)nn3)cc2F)C1 1875356298 SUSYKUXUDZGMHD-ACJLOTCBSA-N 435.475 2.548 0 50 IFAA O=C(c1ccnc2cc(F)cnc12)N1CCCN(C(=O)c2ccnc3cc(F)cnc23)CC1 2325720028 HWKJXXDZKGMQOU-UHFFFAOYSA-N 448.433 2.840 0 50 IFAA C[C@@H]1CCC[C@H](CC(=O)N=[S@@]2(=O)CCCN(C(=O)Cn3nnc4c3CCCC4)CC2)C1 2332238691 HWQSLCZJIPRJQX-PVQQOCSKSA-N 449.621 2.600 0 50 IFAA CC[C@H]1CCCCN1CCCNC(=O)Cn1nc(C)n2nc(-c3ccccc3)cc2c1=O 9727621 WWRJPMQLYVQMSK-FQEVSTJZSA-N 436.560 2.637 0 50 IFAA COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)CN(C(=O)c3ccc(OC)o3)C2)c1 14541717 SLGNIKAYYAKRPW-LJQANCHMSA-N 430.501 2.823 0 50 IFAA O=C(CCC1CCN(C(=O)CCc2cn[nH]c2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 14969500 ZARCXUROHNLSEI-QHCPKHFHSA-N 437.588 2.752 0 50 IFAA COc1cccc(-n2c(CNC(=O)[C@@H]3CCOC(C)(C)C3)nnc2SCCN(C)C)c1 15006064 WSIWNHZUZFLPLP-MRXNPFEDSA-N 447.605 2.751 0 50 IFAA COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C)c(C)c2)CC3)cc1 19229172 QRWYYWQFSMCIQR-UHFFFAOYSA-N 433.556 2.934 0 50 IFAA CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)c2ccc4ncccc4c2)CCO3)CC1 19745081 NXWSDWVFOSUVPX-UHFFFAOYSA-N 444.535 2.934 0 50 IFAA COc1ccc(Br)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 19809983 PRBKMPQMSJXQJJ-UHFFFAOYSA-N 425.348 2.964 0 50 IFAA Nc1nc(CN2CCN(C(=O)c3ccco3)CC2)nc(Nc2cccc(C(F)(F)F)c2)n1 20018843 PCEMFHZTMFGXEL-UHFFFAOYSA-N 447.421 2.767 0 50 IFAA N=C(N)NCCC[C@H](NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)o1)C(=O)O 28707108 KQTJPESSNDKYIC-SFHVURJKSA-N 434.496 2.906 0 50 IFAA Cc1cc(C)n(-c2cc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)nc(C)n2)n1 65364056 OQKVGZWLVILXMC-UHFFFAOYSA-N 435.488 2.670 0 50 IFAA CN1CCN(c2ccc(NC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)cc2)CC1 67613142 JXKFXXNXTHXPHN-UHFFFAOYSA-N 428.558 2.621 0 50 IFAA Cc1nc2cc(C(=O)N3CCN([C@H]4CCCN(Cc5ccccc5)C4=O)CC3)ccc2n1C 170593342 BOLMVVLOOFYHJF-DEOSSOPVSA-N 445.567 2.831 0 50 IFAA O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 225422402 RRMKGXDODDKGHU-SHNDDRJUSA-N 434.540 2.925 0 50 IFAA CC(=O)N[C@@H]1[C@H](Oc2ccc3ccccc3c2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]1O 250763594 XCMZMJFBJIDKSB-PROFCWERSA-N 435.476 2.923 0 50 IFAA CCCOc1ccc(C(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cc1 762289509 ZWRQTLJCALLTAE-CTNGQTDRSA-N 440.496 2.546 0 50 IFAA CS(=O)(=O)N1CCC(c2nnc3sc(-c4cccc(Br)c4)nn23)CC1 820312980 ITBSMCYMXPTHJL-UHFFFAOYSA-N 442.364 2.754 0 50 IFAA COCCCn1c(C)cc(O)c([C@H](CC(=O)OC)c2cc(OC)c(OC)c(OC)c2)c1=O 824396629 YFXFYTDIYOPIPW-MRXNPFEDSA-N 449.500 2.620 0 50 IFAA Cc1noc([C@H]2CCN(S(=O)(=O)c3ccc(NC(=O)c4cccc(F)c4)cc3)C2)n1 1857799017 KEKPLGQDDJUJSH-HNNXBMFYSA-N 430.461 2.948 0 50 IFAA CS(=O)(=O)N1C[C@H](c2nc(-c3cc(OCC(F)F)ccn3)no2)Oc2ccccc21 1875260469 CMNNRLLNGIPJGH-OAHLLOKOSA-N 438.412 2.675 0 50 IFAA CN1CCN(c2cc(CN[C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)ccn2)CC1 2325728909 KHVWRPQPCHPQBW-LJQANCHMSA-N 433.478 2.747 0 50 IFAA Cc1cc(F)cc(-n2cc(C(=O)N3CCC([S@](C)(=O)=NC(=O)[C@H]4C[C@@H]4C)CC3)nn2)c1 2332239000 TVLVHMQOWSFGQT-CWSJKYIRSA-N 447.536 2.600 0 50 IFAA Cc1c(I)cnn1CCC(=O)N[C@@H](Cn1cccn1)C(C)(C)C 2778809 FCNUXHXQKKEHJP-AWEZNQCLSA-N 429.306 2.614 0 50 IFAA CN1C(=O)C[C@](CC(=O)N2CCC(Oc3cccnc3)CC2)(c2ccccc2Cl)C1=O 12210505 PSFDWNUYRPTEOD-QHCPKHFHSA-N 441.915 2.822 0 50 IFAA Cc1ccccc1CN1CCC(CN(C[C@H]2CCCO2)C(=O)CN2CCOC2=O)CC1 12303580 PXTSZKAFZCIAPI-JOCHJYFZSA-N 429.561 2.667 0 50 IFAA COc1cccc(CN2CCN(C(=O)CC[C@]3(Cc4ccccc4)CCC(=O)N3)CC2=O)c1 14886169 CCSHVBLCWGUOGG-SANMLTNESA-N 449.551 2.538 0 50 IFAA COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCCN3CCOCC3)c2c1 17099513 LSEQRTGSJACWSX-UHFFFAOYSA-N 435.480 2.701 0 50 IFAA COC(=O)c1cc(C)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2-c1ccccc1 20345142 HGIARTNWOVKQKO-UHFFFAOYSA-N 431.448 2.699 0 50 IFAA NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(N4CCCCC4=O)cc3)cc2)C1 117576608 FKCSQZOWYYUCKS-HXUWFJFHSA-N 434.540 2.835 0 50 IFAA CCCCN(CCCO)C(=O)c1ccc(Cn2cc(-c3ccc(C(=O)O)cc3)nn2)o1 1875355477 LBFPEANTPZAPFZ-UHFFFAOYSA-N 426.473 2.909 0 50 IFAA C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2Cc3ccc(Br)cc3NC2=O)c1 1875371988 SUUFYZZFWMYEBI-OAHLLOKOSA-N 430.258 2.572 0 50 IFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1 2877375 UMLPPTLNZXHHDV-UHFFFAOYSA-N 440.481 2.786 0 50 IFAA CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 4200527 MTAFOYHDMDVLTP-UHFFFAOYSA-N 447.538 2.968 0 50 IFAA COC(=O)COc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(OC)cc2)cc1 16361629 KMQYVWZZVSGRAK-HXUWFJFHSA-N 441.509 2.679 0 50 IFAA Cc1cc(=O)c(C(=O)N2CCN(C)CC2)c(CCc2ccccc2)n1Cc1ccccn1 20601379 ZBHQOLWPJBNGTH-UHFFFAOYSA-N 430.552 2.773 0 50 IFAA Cc1nc(CN2C[C@@H](OCc3ccncc3)CN(Cc3ccc(O)cc3)CC2=O)cs1 20995859 NBWZFVLUZWACCV-QFIPXVFZSA-N 438.553 2.982 0 50 IFAA COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 36370371 QEOXTINKVUWOCT-UHFFFAOYSA-N 431.558 2.565 0 50 IFAA COc1cccc(-n2nc(C)c([C@@H]3COCCN3Cc3ncnn3CC(F)F)c2C)c1 488311370 RRBBLGJJFWJAQO-SFHVURJKSA-N 432.475 2.928 0 50 IFAA O=C([C@@H](O)[C@@H](O)c1nc2ccccc2s1)N1CCC2(CC1)OCCc1ccsc12 1319922895 ZUDFDOLKFYUQHH-SJORKVTESA-N 430.551 2.843 0 50 IFAA CC(C)Cn1ccc(=NC(=O)N[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)[nH]1 1875301839 SJCWNLBGHSDSJZ-OAHLLOKOSA-N 425.411 2.787 0 50 IFAA Cc1ccc([C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c2ccccc2Cl)cc1 2325749856 BZZXXBDQLJVJDN-FOIQADDNSA-N 446.960 2.955 0 50 IFAA CC[C@H]1c2ccccc2CN1C(=O)Nc1ccc2c(c1)CN([C@@H]1CCC(=O)NC1=O)C2=O 2325896683 DLBWPODTDRWUBU-VQTJNVASSA-N 432.480 2.946 0 50 IFAA CCOC(=O)[C@H]1CCCN(C2CCN(Cc3cc4ccc(OC)cc4n(C)c3=O)CC2)C1 12035179 IIPACAUBYLRYOT-IBGZPJMESA-N 441.572 2.787 0 50 IFAA COCCN1C(=O)C[C@](CC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)(c2ccccc2F)C1=O 12157582 BYBGLILTQUSZHR-MTCJWGGJSA-N 442.531 2.896 0 50 IFAA COc1cc(OC)c(OC)cc1CN1CCC(n2cc(C(=O)NCC(C)C)nn2)CC1 299789240 VFFSCQTXLFDGFN-UHFFFAOYSA-N 431.537 2.527 0 50 IFAA Cc1nc(Cn2nnc(C(=O)N[C@@H]3CSc4ccc(Br)cc43)c2C)no1 470540534 WWWHMRBKHBAMAJ-GFCCVEGCSA-N 435.307 2.666 0 50 IFAA CCc1noc(CC)c1Cc1nc(-c2cccc(S(=O)(=O)Nc3cn[nH]c3)c2)no1 1875260358 SJKWEWFHFVPCPP-UHFFFAOYSA-N 428.474 2.964 0 50 IFAA CCc1ccsc1C(=O)N=[S@](C)(=O)C1CCN(C(=O)COC[C@H]2CCCO2)CC1 2332238519 BDHPYHDHOPIKSF-HYDGNGQDSA-N 442.603 2.735 0 50 IFAA O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NCc1ccccc1)c1ccccc1 1782751 OCAWQFIVEVCIOW-RTWAWAEBSA-N 447.443 2.839 0 50 IFAA Cc1cc(C)cc(N([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 2890133 QJSCRYQJBUXXDI-GOSISDBHSA-N 433.549 2.946 0 50 IFAA COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Br)c1 6267531 NRRWSVVLZDSDFD-UHFFFAOYSA-N 443.319 2.635 0 50 IFAA CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c1=O 12150341 KEEBOMLHUDHMOY-QGZVFWFLSA-N 433.508 2.950 0 50 IFAA CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cnn(C)c1C)CC2 14531728 VTJAJUXWSNXGSK-UHFFFAOYSA-N 425.533 2.556 0 50 IFAA CCOC(=O)c1nn(CCc2ccccc2)c2c1CN(C(=O)CCn1ccnc1C)CC2 14531792 HDQAOHAZXZYOCJ-UHFFFAOYSA-N 435.528 2.782 0 50 IFAA CCn1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(-c3ccccc3)cc2)cn1 14959938 GNXWLQJXQFKMMM-HSZRJFAPSA-N 431.540 2.577 0 50 IFAA O=C(NC[C@@H]1CCCO1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 16650361 QDNLGCJLNBVKQN-INIZCTEOSA-N 435.373 2.830 0 50 IFAA O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCCc1cccc(F)c1 55371250 NGVQMXHFFYGMBX-IBGZPJMESA-N 437.437 2.894 0 50 IFAA CSc1cccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1 67602001 KUPDSTLPWOTVMJ-UHFFFAOYSA-N 441.605 2.613 0 50 IFAA Cc1ccnc(S[C@H]2CC(=O)N(c3ccccc3I)C2=O)n1 95396969 AKAYZUTZQRYVPT-LBPRGKRZSA-N 425.251 2.814 0 50 IFAA CCOc1ccccc1[C@H]1NC(=O)N(CC(=O)NCCCc2ccccc2)C2=C1C(=O)OC2 169758168 CNTSTXLFNRIRHB-HSZRJFAPSA-N 449.507 2.712 0 50 IFAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)C[C@@H](O)C4)CC2)cc1C 170618103 MGMQUITYGWOQSS-NRFANRHFSA-N 428.554 2.802 0 50 IFAA COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1c(O)n2cc(Br)ccc2nc1=O 206056493 JKDLARFZVAWXSM-CYBMUJFWSA-N 447.241 2.556 0 50 IFAA CC1(C)C[C@H](NC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c2ccccc21 499429312 BDCKCBAVHWXZNI-FIKGOQFSSA-N 447.535 2.561 0 50 IFAA O=S(=O)(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccc(-c2cc(C(F)(F)F)on2)o1 1704340247 RFOSIKFUWUHTNH-OCCSQVGLSA-N 443.403 2.884 0 50 IFAA O=C(Cc1ccc(F)c(F)c1)NCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H](n2ccnn2)C1 1875345597 CRYNZNHSLILQKR-BZSNNMDCSA-N 431.487 2.638 0 50 IFAA Cc1ccc(NS(=O)(=O)c2cc(C(=O)NS(C)(=O)=O)ccc2Cl)cc1Cl 1875390917 MGAGQDXPAGOZJV-UHFFFAOYSA-N 437.326 2.792 0 50 IFAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(I)c(O)c(OCC)c1 997282 KPNZMMIMIZQHTL-CYBMUJFWSA-N 446.241 2.587 0 50 IFAA CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)NC(Nc3nc4ccccc4s3)=N2)cc1 2259894 RUXOKVRJTBEULL-HNNXBMFYSA-N 437.481 2.768 0 50 IFAA CC[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2745941 XBGFWXZSCFNXAA-OAHLLOKOSA-N 442.526 2.663 0 50 IFAA Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)sc2ncnc(NCCCN3CCCC3=O)c12 11999300 GQPBZKIEUTZBLF-OKILXGFUSA-N 431.562 2.674 0 50 IFAA COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCc3cccc(C)c3)cc2)CC1 12058082 NNMBOJWKOHSTOR-HSZRJFAPSA-N 426.557 2.910 0 50 IFAA COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)c3c[nH]cn3)C2)c1 14533076 ZZQKTVMERAIOGI-QFIPXVFZSA-N 448.523 2.531 0 50 IFAA COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(CCCSC)CC2 14533565 FRTCHRKJESQSRP-UHFFFAOYSA-N 435.590 2.694 0 50 IFAA O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1 14732540 KYYKBAURRCBMMR-WBAXXEDZSA-N 447.322 2.826 0 50 IFAA CC1=C(C)C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)[C@H](C(=O)O)C1 19645498 VCRBEMFPSXYYNR-ZIAGYGMSSA-N 446.978 2.682 0 50 IFAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCCCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 100630921 FEERXLCCEREQFW-SYMSYNOKSA-N 425.312 2.802 0 50 IFAA C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCS1(=O)=O 170613668 NJOMUQDFNVPSNP-CQSZACIVSA-N 446.491 2.593 0 50 IFAA O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)C(=O)N[C@H]1CCCc2c[nH]nc21 484544139 LXLGAGCXEVKJHX-SFHVURJKSA-N 434.452 2.850 0 50 IFAA CCOC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 916070318 ZXMWXRDBBCEZEN-UHFFFAOYSA-N 432.502 2.689 0 50 IFAA Cc1c(C(=O)N2CCCCNC(=O)C[C@H]3CCCCN3CCC2)[nH]c2c1C(=O)CCC2 2100533448 PLDJIDAUAJIEGO-GOSISDBHSA-N 428.577 2.829 0 50 IFAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N=[S@@](C)(=O)C1CCN(C(=O)c2cccc3c2COCC3)CC1 2332238904 PFKSREVIULEUAC-TYVCCRCYSA-N 448.585 2.802 0 50 IFAA COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCCN(C)C)cc1OC 6922782 GKEKWGWHSGJYRW-HKWRFOASSA-N 425.529 2.851 0 50 IFAA COc1ccccc1CN1C[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)CCC1=O 12429239 PKTYAIKJBMMFPF-FQEVSTJZSA-N 435.524 2.877 0 50 IFAA CCn1nc(C)cc1C(=O)N1CC(=O)N(C2CCCCC2)C[C@H](OCc2ccncc2)C1 14541787 UCMODPGUGKCIPU-OAQYLSRUSA-N 439.560 2.809 0 50 IFAA CC(C)CCNc1cc(C(=O)NCCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1 14732373 LKQRCKNQALNSHR-UHFFFAOYSA-N 447.605 2.946 0 50 IFAA COc1ccc(CN2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)c(OC)c1OC 14996031 OHTSUSLOIIPSDL-UHFFFAOYSA-N 431.537 2.527 0 50 IFAA COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)c(OC)c1 15822704 DUIDBFPWYGJGEV-UHFFFAOYSA-N 428.894 2.771 0 50 IFAA O=C(NCC1(N2CCOCC2)CCCCC1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 23367012 IBIQKFRBLUUYCY-NRFANRHFSA-N 445.579 2.758 0 50 IFAA COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc(C)n2)CC1 33326806 CZTQZBNMHXHGER-UHFFFAOYSA-N 446.939 2.638 0 50 IFAA COc1ccc(CN[C@H]2CC[C@H](O)CC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 244574764 CQYMCORJBNWMKB-VABKMULXSA-N 428.573 2.960 0 50 IFAA C=C(C)C/N=C(/N[C@H]1CCCN(C2CCCCC2)C1)[C@@H](C#N)C(=O)Nc1ccnn1C 253416797 JKIOKOGAHVVYKD-AZUAARDMSA-N 425.581 2.860 0 50 IFAA Cc1ccc(-c2cc(C(=O)NC[C@H]3CCC[C@@]34NC(=O)NC4=O)c3c(C)noc3n2)cc1 465385279 DLLGJYVEENBXIF-IQMFZBJNSA-N 433.468 2.615 0 50 IFAA O=C(NCc1nccn1-c1ccccc1)C1(S(=O)(=O)c2ccccc2)CCOCC1 487491221 YXBLEKQIALQGGE-UHFFFAOYSA-N 425.510 2.512 0 50 IFAA Cc1cc(C)[nH]c(=NCc2cccc(C(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)c2)n1 1875258092 SWKXECYAXJLGIN-JOCHJYFZSA-N 449.555 2.832 0 50 IFAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)CC1=O 1875263777 OOZBCSDVQCGHGQ-LJHODMEESA-N 441.557 2.778 0 50 IFAA Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1 538476 OCINXEZVIIVXFU-UHFFFAOYSA-N 425.388 2.937 0 50 IFAA biogenic,in-man Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](c4ccccc4)CC3=O)c2)s1 3627425 BLBCWLFMTHLIPJ-INIZCTEOSA-N 442.522 2.804 0 50 IFAA Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nn2)n1 11697274 KILDXGSOQBITAZ-UHFFFAOYSA-N 428.493 2.574 0 50 IFAA O=C(Cc1ccccc1)N1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1 14970234 QTGZGGMZQAYJKW-UHFFFAOYSA-N 440.503 2.769 0 50 IFAA O=C([C@@H]1CCCO1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(C/C=C/c2ccccc2)CC1 14993691 KRCUNLWBPDWBSI-XIZQWUBESA-N 437.584 2.652 0 50 IFAA Cc1cccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CCC(=O)O)c1 170618433 HFUMKDCUOMUILP-LJQANCHMSA-N 429.498 2.909 0 50 IFAA O=C(NCc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1 242302278 YRAAKJZIRSWGGY-MRXNPFEDSA-N 429.325 2.699 0 50 IFAA COCCN1C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4c(ccc5cccnc45)C=C[C@H]3[C@@H]2C1=O 245310081 HJLLEAXAUCBGJM-NTLWEQJWSA-N 433.508 2.682 0 50 IFAA CC(=O)O[C@H]1O[C@]23CC[C@@]4(O)C[C@@H](O)CC[C@]14[C@@H]2CC[C@@]1(C)[C@@H]3CC[C@H]1C1=CC(=O)OC1 257349863 RXXZRNNOAJTUSW-RBTOQMDQSA-N 446.540 2.626 0 50 IFAA NC(=O)N[C@H](CC(=O)N1CC[C@@H](OCc2cccnc2)C1)c1ccc(Br)cc1 1875261745 FWHXVUOGGXDEKN-QZTJIDSGSA-N 447.333 2.761 0 50 IFAA COc1ccc([C@@H](CC(=O)NCc2ccccn2)c2c(O)nc3ccccn3c2=O)cc1 2049512034 OFMVQKNMYZGBKE-LJQANCHMSA-N 430.464 2.642 0 50 IFAA CC(C)N1C(=O)c2ccc(C(=O)N3CCC4(CC3)C[C@H]4CN(C)C3CC3)cc2S1(=O)=O 2325718559 LRQHRTMKWBONLN-KRWDZBQOSA-N 445.585 2.576 0 50 IFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccccc1OC(C)C 1151257 UQPBPOQTPMLDCK-SQWSFHKJSA-N 438.505 2.788 0 50 IFAA COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(CNCCCc2ccccc2)c1 12595923 DZIVAKXBKUYGNM-QHCPKHFHSA-N 428.573 2.614 0 50 IFAA COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Br 19558951 YIDIFUYDJUTZHE-UHFFFAOYSA-N 425.348 2.964 0 50 IFAA Cc1ccc(N([C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1C 20529914 NZWSALOLLHZZCH-FQEVSTJZSA-N 429.586 2.802 0 50 IFAA O=C(NCCN1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(=O)NCc1ccccc1 22942457 UYAZGAQOKUOQGK-UHFFFAOYSA-N 449.382 2.544 0 50 IFAA COC(=O)c1cccc2c1CCCN2C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 225502520 CQCRONJIBYLAIG-ZDUSSCGKSA-N 427.423 2.736 0 50 IFAA C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]2c2cccs2)C1=O 242302349 YRQLMNONXCGWBO-HTAPYJJXSA-N 426.542 2.860 0 50 IFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 409413333 IBJUFGNQYYAZML-YTFSRNRJSA-N 427.589 2.775 0 50 IFAA biogenic COc1ccc([C@@H](CC(=O)NC2CCN(C(C)=O)CC2)c2cc3c(cc2O)OCO3)cc1 824654626 OFMYOUOYXCDRRR-LJQANCHMSA-N 440.496 2.779 0 50 IFAA biogenic CS(=O)(=O)N1CCC[C@H](c2nnc3sc(COc4ccccc4Cl)nn23)C1 951726677 INVQSOZTGIPQDR-NSHDSACASA-N 427.939 2.557 0 50 IFAA CCN1CC[C@@H]2C[C@@H](N3CCOCC3)CC[C@@]2(C(=O)N2CC(Oc3ccc(C)cc3)C2)C1 1857689916 OOGWLCDMCKIJNN-TVZXLZGTSA-N 441.616 2.798 0 50 IFAA CCCOc1cccc(CCNC(=O)[C@@H]2CC(=O)N(c3nnc(COCC)s3)C2)c1 1857739101 JOPOEMWMVSATNO-MRXNPFEDSA-N 432.546 2.575 0 50 IFAA Cn1ncc2c(=O)n(CC(=O)NCc3cnc(-c4ccc(C(F)(F)F)cc4)s3)cnc21 1875261752 PPPUBVPOWVCFPL-UHFFFAOYSA-N 448.430 2.589 0 50 IFAA Cc1ccc(CN2CC[C@H](NC(=O)Nc3cccc(Cn4cccnc4=O)c3)C2=O)cc1 1875262410 IMTPBXQXRJSXCL-NRFANRHFSA-N 431.496 2.523 0 50 IFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(F)cc1 1179003 ZVFLDMNTYPKGIC-MUMAZLPKSA-N 428.510 2.999 0 50 IFAA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccnc4)c(=O)n32)cc1 4618285 QTVJYKHBVBHLOA-JAORQVBISA-N 449.532 2.590 0 50 IFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OCC)c(OCC(=O)O)cc1Cl 8444093 VEOUXDKNYXIKOM-MRXNPFEDSA-N 428.894 2.558 0 50 IFAA Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](N2CCCN(C=O)CC2)C4)cc1 12510399 ZRKCPQQDOWEMJQ-IBGZPJMESA-N 436.581 2.836 0 50 IFAA O=C(NCCN1CCOCC1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 13130335 QUZHSYCBZSWPFH-ZFWWWQNUSA-N 429.468 2.667 0 50 IFAA COc1ccc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 15363081 DQTULTMABREOJA-UHFFFAOYSA-N 425.348 2.964 0 50 IFAA COc1ccc(-c2nc(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(C)o2)c(C)c1C 20455535 QGUKYONIJVLSIT-SFHVURJKSA-N 433.574 2.580 0 50 IFAA O=S(=O)(O)N(CCc1ccccc1)C[C@@H](O)COc1cccc(Br)c1 22205762 SFRBHWYRHFWQQQ-MRXNPFEDSA-N 430.320 2.536 0 50 IFAA COc1ccc(CCNC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCC3)cc1OC 169765505 LVWXTVNDQJREFB-UHFFFAOYSA-N 435.524 2.964 0 50 IFAA O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 170608909 GLTQYFIHGKLPEM-UHFFFAOYSA-N 428.514 2.592 0 50 IFAA O=C(Nc1cc(I)cc(I)c1)[C@H]1CCOC1 253423168 STCTYCCIFLNZGE-ZETCQYMHSA-N 443.022 2.871 0 50 IFAA COc1ccc([C@]2(CC(=O)N3CCc4c(Cl)cccc4C3)CC(=O)N(C)C2=O)cc1 299768867 QONFFBBJMRCSOA-HSZRJFAPSA-N 426.900 2.950 0 50 IFAA Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 952971965 NERHMNHQMCAQAA-JOCHJYFZSA-N 434.540 2.759 0 50 IFAA Fc1cc(CN=c2[nH]cc[nH]c2=NCc2cc(F)cc3c2OCOC3)c2c(c1)COCO2 2325737591 FYGQJTHWZFWDNU-UHFFFAOYSA-N 442.422 2.556 0 50 IFAA Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCC[C@](O)(Cc3nc(C(C)C)no3)C2)c(C)c1 2325757688 QGEZIAXBQTTZNL-HXOBKFHXSA-N 443.548 2.916 0 50 IFAA CCc1cccc2ccc(C(=O)Nc3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4)nc12 2325896359 WYVDAPASAMWLEK-HXUWFJFHSA-N 442.475 2.811 0 50 IFAA